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Superconducting nanowire single photon detector (SNSPD) is a leading candidate for applications requiring the fundamental limit of light detection at high detection rates. While SNSPD technology employing nanowires from conventional low temperature superconducting detectors is mature with several commercial solutions, other material options with higher transition temperature approaching liquid nitrogen with faster signal responses are actively being explored. In this context, we develop a comprehensive model that predicts the final potential response from an SNSPD incorporating several physical and material aspects. A phase diagram of photon detection is developed that describes the latching phases and the photon sensitivity as a function of biasing current and temperature for both low temperature and high temperature superconductors. On the one hand, while low temperature superconductors are observed to be more sensitive than high temperature superconductors (HTSs) under any given biasing condition, a biasing window for a single photon detection with HTS nanowires is identified. On the other hand, HTS nanowires demonstrate three orders of magnitude faster response times than the low temperature superconductor nanowire at the same biasing condition, making it uniquely suited for several practical applications. [ABSTRACT FROM AUTHOR]

Rare earth substitution in cuprate superconductors has sparked intense interest, driving progress in both fundamental research and advanced technology. In this investigation, we focus on SmBa 2 Cu 3 O 7 − δ (SmBCO), synthesized via the top-seeded melt growth method, with an aim to understand the corresponding vortex phases. Despite the minimal impact on transition temperature (T c) when yttrium in YBa 2 Cu 3 O 7 − δ is replaced by Sm, the critical current density (J c) remains exceptionally high under intense magnetic fields. Introducing Sm 2 Ba 1 Cu 1 O 5 (Sm-211) phase as point defects significantly boosts the pinning potential (U) and pinning force (F p ) and enhances their stability against external magnetic fields. Contrary to other superconductors, the SmBCO sample displays a notable peak effect in the magnetic field-dependent J c , driven by point defects introduced by the Sm-211 phase, which prompts vortex lattice softening and initiates a transition from an ordered to a disordered vortex glass phase, leading to the emergence of a second magnetization peak. Analysis suggests that the primary pinning mechanism in SmBCO involves a combination of normal point and Δ κ pinning. Additionally, investigations of the vortex glass phase beneath the thermally activated flux flow regime indicate that vortices in SmBCO may freeze into a state akin to a 2D vortex glass state. This study leads to a detailed phase diagram that clarifies the evolution of vortex phases in SmBCO. [ABSTRACT FROM AUTHOR]

The correlated semiconductor vanadium dioxide (VO2) exhibits an insulator–metal transition (IMT) near room temperature, which is of interest in various device applications. Precise IMT temperature control is crucial to determine the use cases across technologies such as thermochromic windows, actuators for robots or neuronal oscillators. Doping the cation or anion sites can modulate the IMT by several tens of degrees and control hysteresis. However, modeling the effects of control parameters (e.g., doping concentration, type of dopants) is challenging due to complex experimental procedures and limited data, hindering the use of traditional data-driven machine learning approaches. Symbolic regression (SR) can bridge this gap by identifying nonlinear expressions connecting key input parameters to target properties, even with small data sets. In this work, we develop SR models to capture the IMT trends in VO2 influenced by different dopant parameters. Using experimental data from the literature, our study reveals a dual nature of the IMT temperature with varying tungsten (W) doping concentrations. The symbolic model captures data trends and accounts for experimental variability, providing a complementary approach to first-principles calculations. Our feature-driven analysis across a broader class of dopants informs selectivity and provides qualitative insights into tuning phase transition properties valuable for neuromorphic computing and thermochromic windows. [ABSTRACT FROM AUTHOR]

Pressure-induced polymorphism has recently been demonstrated in several high entropy alloys. This offers a new window into the much-debated issue of phase selection and stability in these systems. Here, we examine the effect of cryogenic temperatures on the pressure-induced transition from face centered cubic to hexagonal close-packed structures of the prototype CoCrFeMnNi (Cantor) alloy. We observe a reduction in the critical pressure for the onset of the polymorphic transition as the temperature decreases, confirming the progressive stabilization of the hexagonal phase with decreasing temperature previously predicted by ab initio calculations accounting for magnetic interactions. We argue that in situ high-pressure experiments at cryogenic temperatures, which suppress time-dependent transformation triggered at higher temperatures, present a unique opportunity to significantly improve our understanding of these complex alloys. [ABSTRACT FROM AUTHOR]

The relaxor ferroelectric crystal Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-PT), located near the morphotropic phase boundary (MPB), exhibits exceptionally high piezoelectric and electro-optic (EO) responses. Nevertheless, lower optical transparency and phase transition temperature of PMN-PT limit its optical applications. The ternary system Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 (PIN-PMN-PT) holds promise in addressing these challenges with a higher Curie temperature. Additionally, specific ferroelectric domain polarization techniques can eliminate domain scattering, substantially enhancing the transparency of the crystal. In this study, we explore the optical properties of Sm-doped PIN-PMN-PT. We achieve a 2R domain-engineered state by polarizing along the (110) direction of the crystal. The high transparency allows us to extract an effective EO coefficient of up to 431.5 pm/V from the Sm-PIN-PMN-PT crystal at the telecommunications wavelength. Second-harmonic generation (SHG) probing verified the domain-engineered state in Sm-PIN-PMN-PT. The temperature-dependent SHG reveals the ferroelectric phase transition process, laying the groundwork for studying the stability of the EO response. The Sm-PIN-PMN-PT crystal exhibits an exceptionally high EO coefficient, which is crucial for the development of enhanced EO devices with high integration and low driving voltages. [ABSTRACT FROM AUTHOR]

This study explores the dynamics of self-assembly and mesophase formation through molecular dynamics simulations of hexagonal and lamellar systems using a simplified coarse-grained model. We focus on characterizing the order–disorder transitions driven by temperature variations and emphasize the often overlooked disordered regime, which serves as a precursor to periodic mesoscale ordering. Our findings not only underscore the morphological richness of the disordered regime, comparable to that of its periodic counterparts, but also reveal the presence of clustering regimes within isotropic phases, thus corroborating prior experimental and theoretical observations. By employing the dynamic correlation coefficient, this work introduces a novel approach to understanding the fundamental mechanisms of mesophase formation, providing new insights into the complex dynamics of self-assembly. [ABSTRACT FROM AUTHOR]

In this paper, we explored the resistivity behavior of Sb7Se3 thin films on flexible mica. The films maintained their resistance characteristics through various thicknesses and bending cycles. With increasing bends, resistivity and phase transition temperature of both amorphous and crystalline states rose, while the resistance drift coefficient gradually increased. Raman and near infrared experiments confirmed the internal structural changes and bandgap enhancement after bending. Transmission electron microscopy showed enhanced crystallization and uniform element distribution after annealing. Atomic force microscopy observed cracks, explaining the property changes. Additionally, we developed a flexible Sb7Se3 thin-film resistive device with swift reversibility (∼10 ns) regardless of bending, opening new avenues for flexible information storage. [ABSTRACT FROM AUTHOR]

We here present the normal dynamics technique, which recasts the Newton's equations of motion in terms of phonon normal modes by exploiting a proper sampling of the reciprocal space. After introducing the theoretical background, we discuss how the reciprocal space sampling enables us to (i) obtain a computational speedup by selecting which and how many wave vectors of the Brillouin zone will be considered and (ii) account for distortions realized across large atomic distances without the use of large simulation cells. We implemented the approach into an open-source code, which we used to present three case studies: in the first one, we elucidate the general strategy for the sampling of the reciprocal space; in the second one, we illustrate the potential of the approach by studying the stabilization effect of temperature in α-uranium; and in the last one, we investigate the characterization of Raman spectra at different temperatures in MoS2/MX2 transition metal dichalcogenide heterostructures. Finally, we discuss how the procedure is general and can be used to simulate periodic, semiperiodic, and finite systems such as crystals, slabs, nanoclusters, or molecules. [ABSTRACT FROM AUTHOR]

We synthesized the Lu 2 CoCrO 6 compound, multiferroic member of double perovskite system, by sol–gel method and then investigated the crystal structure, magnetization, magnetocaloric effect (MCE), and electrical polarization study. The analysis of powder x-ray diffraction pattern confirms that the monoclinic crystal structure with P2 1 /n space group is better fitting for the Lu 2 CoCrO 6 compound. Distribution between Co and Cr ions at the B-site is not perfectly ordered. Partial ordering between these B-site cations leads to a certain degree of disorder due to the presence of antisite defects and antiphase boundaries. These anti-site disorders (in the B-site) generate various fascinating magnetic phenomena. Although the temperature dependent inverse susceptibility plot shows predominant antiferromagnetic ground state in this system, simultaneously, a second order magnetic phase transition was observed from the Arrott plot. Moreover, the isothermal magnetization study confirms the coexistence of antiferromagnetic (AFM) and ferromagnetic (FM) phases below the transition temperature. The investigation of the magnetocaloric effect shows that the AFM phase of the system converts into the FM phases above critical field values. However, the breakdown of universal behavior of MCE in the paramagnetic region confirms the coexistence of the AFM phase as a secondary phase within the FM matrix. In addition, at lower temperatures, we observe a clear and well-defined ferroelectric hysteresis loop, suggesting ferroelectricity in the material. From these results, we conclude that Lu 2 CoCrO 6 is a multiferroic material in which the coexisting magnetic and multiferroic phases appear to be correlated and weak magneto-electric coupling was also observed. Furthermore, our experimental results help to encourage basic fundamental as well as applied research on rare-earth and transition metal based double perovskite systems due to their complex exchange interaction and multiferroic behavior. [ABSTRACT FROM AUTHOR]

Solid-state refrigeration using barocaloric materials is environmentally friendly and highly efficient, making it a subject of global interest over the past decade. Here, we report giant barocaloric effects in sodium hexafluorophosphate (NaPF6) and sodium hexafluoroarsenate (NaAsF6) that both undergo a cubic-to-rhombohedral phase transition near room temperature. We have determined that the low-temperature phase structure of NaPF6 is a rhombohedral structure with space group R 3 ¯ by neutron powder diffraction. There are three Raman active vibration modes in NaPF6 and NaAsF6, i.e., F2g, Eg, and A1g. The phase transition temperature varies with pressure at a rate of dTt/dP = 250 and 310 K GPa−1 for NaPF6 and NaAsF6. The pressure-induced entropy changes of NaPF6 and NaAsF6 are determined to be around 45.2 and 35.6 J kg−1 K−1, respectively. The saturation driving pressure is about 40 MPa. The pressure-dependent neutron powder diffraction suggests that the barocaloric effects are related to the pressure-induced cubic-to-rhombohedral phase transitions. [ABSTRACT FROM AUTHOR]

The multiferroic Y-type hexaferrites BaxSr2−xMe2Fe12−yAlyO22 (Me = Zn2+, Co2+, Mg2+, etc.) have attracted much attention due to their giant magnetoelectric (ME) effect up to room temperature and low modulated magnetic field by the chemical doping control of the complex magnetic phases. However, the research of substitution between the Me ions is rare. As doping at the Me ion site can combine the advantages of both, e.g., higher magnetic ordering temperature in Co2 and stronger ME coefficient in Mg2 Y-type hexaferrites, herein, we report the stability and switching of magnetoelectric states in the Y-type hexaferrites Ba0.5Sr1.5CoMgFe11AlO22 single crystals. Our results demonstrate that substituting half of the Mg2+ with Co2+ enhances the transition temperature of the alternating longitudinal conical phase to proper screw spin order up to room temperature compared to those Mg2 Y-type hexaferrites. Simultaneous occurrence of in-plane and out-of-plane ferroelectric polarization is observed, alongside comparable spontaneous magnetization. It was found that the in-plane spin-driven polarization can be reversible below 50 K with a substantial ME coefficient α = −8000 ps/m but becomes irreversible at 100 K. This reversal in the sign of the ME coefficient signifies the transition between two distinct ME states at high temperature. The reversibility and irreversibility of spin-induced polarization are discussed within the framework of free energy based on the ferroelectric phase, which prevail in numerous Y-type hexaferrites. Our results provide insights into understanding the role of the Me ions in the magnetoelectric coupling in Y-type hexaferrites. [ABSTRACT FROM AUTHOR]

The multiferroic Y-type hexaferrites BaxSr2−xMe2Fe12−yAlyO22 (Me = Zn2+, Co2+, Mg2+, etc.) have attracted much attention due to their giant magnetoelectric (ME) effect up to room temperature and low modulated magnetic field by the chemical doping control of the complex magnetic phases. However, the research of substitution between the Me ions is rare. As doping at the Me ion site can combine the advantages of both, e.g., higher magnetic ordering temperature in Co2 and stronger ME coefficient in Mg2 Y-type hexaferrites, herein, we report the stability and switching of magnetoelectric states in the Y-type hexaferrites Ba0.5Sr1.5CoMgFe11AlO22 single crystals. Our results demonstrate that substituting half of the Mg2+ with Co2+ enhances the transition temperature of the alternating longitudinal conical phase to proper screw spin order up to room temperature compared to those Mg2 Y-type hexaferrites. Simultaneous occurrence of in-plane and out-of-plane ferroelectric polarization is observed, alongside comparable spontaneous magnetization. It was found that the in-plane spin-driven polarization can be reversible below 50 K with a substantial ME coefficient α = −8000 ps/m but becomes irreversible at 100 K. This reversal in the sign of the ME coefficient signifies the transition between two distinct ME states at high temperature. The reversibility and irreversibility of spin-induced polarization are discussed within the framework of free energy based on the ferroelectric phase, which prevail in numerous Y-type hexaferrites. Our results provide insights into understanding the role of the Me ions in the magnetoelectric coupling in Y-type hexaferrites. [ABSTRACT FROM AUTHOR]

In this study, phase transitions (structural and magnetic) and associated magnetocaloric properties of stoichiometric MnCoGe have been investigated as a function of annealing pressure. Metastable phases were generated by annealing at 800 ° C followed by rapid cooling under pressures up to 6.0 GPa. The x-ray diffraction results reveal that the crystal cell volume of the metastable phases continuously decreases with increasing thermal processing pressure, leading to a decrease in the structural transition temperature. The magnetic and structural transitions merge and form a first-order magnetostructural transition between the ferromagnetic orthorhombic and paramagnetic hexagonal phases over a broad temperature range (>80 K) spanning room temperature, yielding considerable magnetic entropy changes. These findings demonstrate the utility of thermal processing under high pressure, i.e., high-pressure annealing, to control the magnetostructural transitions and associated magnetocaloric properties of MnCoGe without altering its chemical composition. [ABSTRACT FROM AUTHOR]

We report a theoretical investigation of temperature, size, and composition effects on the structural, energetic, and electronic properties of the (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (NCs) for n = 10, 18. Furthermore, we investigated the single O vacancy formation energy as a function of the geometric location within the NC. Our calculations are based on the combination of force-field molecular dynamics (MD) simulations and density functional theory calculations. We identified a phase transition from disordered to ordered structures for all NCs via MD simulations and structural analysis, e.g., radius changes, radial distribution function, common neighbor analysis, etc. The transition is sharp for La36Ce36O126, La20Ce20O70, and Ce72O144 due to the crystalline domains in the core and less abrupt for Ce40O80, La40O60, and La72O108. As expected, radius changes are abrupt at the transition temperature, as are morphological differences between NCs located below and above the transition temperature. We found a strong dependence on the O vacancy formation energy (Evac) and its location within the NCs. For example, for La40O60, Evac decreases almost linearly as the distance from the geometric center increases; however, the same trend was not observed for Ce40O80, while there are large deviations from the linear trend for La20Ce20O70. Evac has smaller values for Ce40O80 and higher values for La40O60, that is, almost three times, while Evac has intermediate values for mixed oxides, as expected from weighted averages. Therefore, the mixture of one formula unit of La2O3 with two formula units of CeO2 has the effect of increasing the stability of CeO2 (binding energy), which increases the magnitude of the formation energy of the O vacancy. [ABSTRACT FROM AUTHOR]

[001]-textured 0.4P(Mg1/3Nb2/3)O3-0.25PbZrO3-0.35PbTiO3-0.5%MnO2 (Mn-PMN-PZT) ceramics were fabricated by templated grain growth using 2 vol. % BaTiO3 in this paper. Full matrices of dielectric (ɛij), elastic (sij, cij), and piezoelectric (dij) parameters were obtained by the resonance–antiresonance method. The dielectric constant ɛ33T of textured ceramics reaches 2600, which is four times that of random ceramics. Textured Mn-PMN-PZT ceramics exhibit high d33 = 984 pC/N and high k33 = 0.89, which is much larger than d33 = 223 pC/N and k33 = 0.70 of random ceramics. However, ɛ11T of ceramics decreases by about 30% after texturing, and the corresponding shear coupling coefficient k15 also decreases from 0.66 to 0.44, which may be due to the reduction in the angle between spontaneous polarization and transverse direction. Furthermore, the temperature stability of the textured ceramics was evaluated as well. The phase transition temperature TR−T was determined by the impedance method to be 120 °C. The textured Mn-PMN-PZT ceramic shows high temperature stability, which is better than PMN-PT. [ABSTRACT FROM AUTHOR]

UNLABELLED: Invasive mold infections (IMIs) are associated with high morbidity, particularly in immunocompromised patients, with mortality rates between 40% and 80%. Early initiation of appropriate antifungal therapy can substantially improve outcomes, yet early diagnosis remains difficult to establish and often requires multidisciplinary teams evaluating clinical and radiological findings plus supportive mycological findings. Universal digital high-resolution melting (U-dHRM) analysis may enable rapid and robust diagnoses of IMI. A universal fungal assay was developed for U-dHRM and used to generate a database of melt curve signatures for 19 clinically relevant fungal pathogens. A machine learning algorithm (ML) was trained to automatically classify these pathogen curves and detect novel melt curves. Performance was assessed on 73 clinical bronchoalveolar lavage samples from patients suspected of IMI. Novel curves were identified by micropipetting U-dHRM reactions and Sanger sequencing amplicons. U-dHRM achieved 97% overall fungal organism identification accuracy and a turnaround time of ~4 hrs. U-dHRM detected pathogenic molds (Aspergillus, Mucorales, Lomentospora, and Fusarium) in 73% of 30 samples classified as IMI, including mixed infections. Specificity was optimized by requiring the number of pathogenic mold curves detected in a sample to be >8 and a sample volume to be 1 mL, which resulted in 100% specificity in 21 at-risk patients without IMI. U-dHRM showed promise as a separate or combination diagnostic approach to standard mycological tests. U-dHRMs speed, ability to simultaneously identify and quantify clinically relevant mold pathogens in polymicrobial samples, and detect emerging opportunistic pathogens may aid treatment decisions, improving patient outcomes. IMPORTANCE: Improvements in diagnostics for invasive mold infections are urgently needed. This work presents a new molecular detection approach that addresses technical and workflow challenges to provide fast pathogen detection, identification, and quantification that could inform treatment to improve patient outcomes.

Differential scanning fluorimetry (DSF) is a method to determine the apparent melting temperature (Tma) of a purified protein. In DSF, the raw unfolding curves from which Tma is calculated vary widely in shape and complexity. However, the tools available for calculating Tma are only compatible with the simplest of DSF curves, hindering many otherwise straightforward applications of the technology. To overcome this limitation, we designed new mathematical models for Tma calculation that accommodate common forms of variation in DSF curves, including the number of transitions, the presence of high initial signal, and temperature-dependent signal decay. When tested these models against DSFbase, an open-source database of 6235 raw, real-life DSF curves, these models outperformed the existing standard approaches of sigmoid fitting and maximum of the first derivative. To make these models accessible, we created an open-source software and website, DSFworld (https://gestwickilab.shinyapps.io/dsfworld/). In addition to these improved fitting capabilities, DSFworld also includes features that overcome the practical limitations of many analysis workflows, including automatic reformatting of raw data exported from common qPCR instruments, labeling of data based on experimental variables, and flexible interactive plotting. We hope that DSFworld will enable more streamlined and accurate calculation of Tma values for DSF experiments.

Nickel/bismuth (Ni/Bi) bilayers have recently attracted attention due to the occurrence of time-reversal symmetry breaking in the superconducting state. Here, we report on the structural, magnetic, and electric characterization of thin film Ni/Bi bilayers with several Bi thicknesses. We observed the formation of a complex layered structure depending on the Bi thickness caused by the inter-diffusion of Bi and Ni which leads to the stabilization of NiBi 3 at the Bi/Ni interface. The superconducting transition temperature and the transition width are highly dependent on the Bi thickness and the layer structure. Magnetoelectric transport measurements in perpendicular and parallel magnetic fields were used to investigate the temperature-dependent upper critical field within the framework of the anisotropic Ginzburg–Landau theory and the Werthamer–Helfand–Hohenberg model. For thicker samples, we observed a conventional behavior, similar to that shown by NiBi 3 bulk samples, including a small Maki parameter (α M = 0), no spin–orbit scattering (λ S O = 0) and nearly isotropic coherence length (γ = ξ ⊥ (0) / ξ ∥ (0) ≈ 1). The values obtained for these properties are close to those characterizing NiBi 3 single crystals. On the other hand, in very thin samples, the Maki parameter increases to about α M = 2.8. In addition, the coherence length becomes anisotropic (γ = 0.32) and spin–orbit scattering (λ S O = 1.2) must be taken into account. Our results unequivocally show that the properties characterizing the superconducting state in the Ni/Bi are strongly dependent on the sample thickness. [ABSTRACT FROM AUTHOR]

Temperature-dependent Raman spectral studies of BiFeO3 (BFO) films coated on three different substrates, viz., conducting Si (BFO-Si), sapphire (BFO-SAP), and fluorine-doped tin oxide (BFO-FTO), are reported between 123 and 773 K. The activity of Bi–O and Fe–O modes in these samples as a function of temperature shows different spectral features despite having synthesized from the same precursor. To understand the source of these variations, the spectra obtained on the above films were compared with those of bulk BiFeO3 (BFO-bulk) prepared via spark-plasma sintering. As the temperature increases, modes corresponding to the Bi–O activity at low frequency (120–180 cm−1) exhibit a redshift in their positions in all the samples. Between 350 and 550 K, BFO-SAP and BFO-Si samples show discernible anomalies in the positions of modes corresponding to the Fe–O activity (200–500 cm−1), which is not observed in the BFO-bulk and BFO-FTO samples. These anomalies are more pronounced for the modes between 350 and 500 cm−1, suggesting alterations in the Néel transition temperature (∼643 K for BiFeO3). Concurrently, another composite film of BiFeO3–CoFe2O4 coated on the Si substrate is explored. Raman studies on the composite film are used to compare and verify the influence of the substrate and defects on the magnetic ordering as a function of temperature. Our study highlights the significance and relevance of using Raman spectroscopy as a tool to discern various factors leading to local structural and magnetic variation in a given compound. [ABSTRACT FROM AUTHOR]

A thermally driven needle-like (NL) to distorted perovskite (DP) phase transition in SrZrS3 was investigated by means of ab initio free energy calculations accelerated by machine learning. As a first step, a systematic screening of the methods to include long-range interactions in semilocal density functional theory Perdew–Burke–Ernzerhof calculations was performed. Out of the ten correction schemes tested, the Tkatchenko–Scheffler method with iterative Hirshfeld partitioning method was found to yield the best match between calculated and experimental lattice geometries, while predicting the correct order of stability of NL and DP phases at zero temperature. This method was then used in free energy calculations, performed using several approaches, so as to determine the effect of various anharmonicity contributions, such as the anisotropic thermal lattice expansion or the thermally induced internal structure changes, on the phase transition temperature (TNP→DP). Accounting for the full anharmonicity by combining the NPT molecular dynamics data with thermodynamic integration with harmonic reference provided our best estimate of TNL→DP = 867 K. Although this result is ∼150 K lower than the experimental value, it still provides an improvement by nearly 300 K compared to the previous theoretical report by Koocher et al. [Inorg. Chem. 62, 11134–11141 (2023)]. [ABSTRACT FROM AUTHOR]

Antiferromagnetic spintronics is intrigued due to its unique properties that could break through the restrictions in ferromagnets. A 3d/5d transition metal oxide heterostructure is a good platform in antiferromagnetic spintronics research since the strong spin–orbit coupling in 5d oxides may bring about delicate interaction with the correlation energy and motivate unconventional phenomena. Here, the transport and magnetic characters of bilayers composed of antiferromagnetic 3d perovskite NdNiO3 and 5d perovskite SrIrO3 were investigated. The decreased metal–insulator transition and Néel temperature associated with suppressed negative magnetoresistance, emerged spin-glass like phenomenon, and the humped nonlinear Hall effect were observed in NdNiO3/SrIrO3 bilayers, which were absent in NdNiO3 and SrIrO3 pure films. It suggests the important role of interfacial interaction between NdNiO3 and SrIrO3 in modulating heterostructure transport and magnetic behavior and also manifests that complex magnetic structures might be realized in NdNiO3/SrIrO3 bilayers. [ABSTRACT FROM AUTHOR]

PbTiO 3 is a prototypical ferroelectric perovskite that is known to undergo a temperature driven ferroelectric tetragonal to paraelectric cubic phase transition, but the understanding of some key phenomena and associated mechanisms underlying this transition remains unclear. Here, using molecular dynamics simulations based on first-principles effective Hamiltonian, we show the behaviors of the phase transition temperature T c and adiabatic temperature change Δ T of PbTiO 3 under an external electric field and tensile stress along the [001] direction. Our results show that the electric field E induces rising T c via a linear relation T c ∝ 0.3083 E , rendering the phase transition to go from first-order with thermal hysteresis to second-order without thermal hysteresis above ∼ 200 kV/cm; meanwhile, a maximum electrocaloric response Δ T m a x ∼ 34 K is obtained under E = 500 kV/cm. Moreover, external stress (σ z) causes rising T c via a linear relation T c ∝ 160 σ z and improves the electrocaloric response Δ T m a x when combined with the electric field. The present results offer insights into the physical processes and mechanisms that dictate finite-temperature properties of ferroelectric perovskite oxides, laying a foundation for further exploration of this intriguing class of materials. [ABSTRACT FROM AUTHOR]

Carbon-doped Ge2Sb2Te5 (CGST) is a potential candidate in phase change random access memory (PCRAM) with superb thermal stability and ultrahigh cycle endurance. Direct observation of the microstructure evolution of CGST is desirable to uncover the phase transformation mechanism on the relationship of nucleation/crystalline behaviors of the crystalline phase at elevated temperatures and the pristine amorphous phase at room temperature. Here, we investigate the structural evolution of CGST using combined in situ techniques. Our in situ x-ray diffraction and ellipsometry results demonstrate that CGST exhibits a much higher phase transition temperature than undoped one. Temperature-dependent in situ transmission electron microscopy observations further reveal that carbon doping plays a critical role in tailoring the properties of GST by tuning the stochasticity of nucleation/crystallization, stabilizing amorphous and crystalline GST via isolating and refining the grain size at room temperature and elevated temperature. Our work provides detailed information for understanding the microscopic origin of crystallization kinetics of carbon-doped phase change materials toward high-performance PCRAM. [ABSTRACT FROM AUTHOR]

Sr2CoRuO6 in its bulk form shows spin glass behavior with a transition temperature of 95 K, and in its epitaxial thin film, it shows similar behavior with a transition temperature of 135 K. We have studied the structural, electronic, and magnetic properties of a polycrystalline thin film of oxygen-deficient Sr2CoRuO6−δ (SCRO), which shows ferrimagnetic or glassy behavior up to room temperature. The presence of oxygen deficiency causes multivalent cations Co3+ and Co2+ and Ru4+ and Ru5+, which introduces various kinds of magnetic interactions between Co3+–O–Co2+, Co3+–O–Ru4+, Co2+–O–Ru4+, Co3+–O–Ru5+, and Co2+–O–Ru5+ exchange paths, producing unusual exchange bias effects in the single layer thin film of SCRO. The interionic charge transfer between Co and Ru ions as a result of the negative charge transfer energy of the system helps in visualizing the unconventional exchange bias effect in the system. [ABSTRACT FROM AUTHOR]

Vanadium dioxide (VO2) is a highly attractive and multifunctional material for technological applications due to its metal–insulator transition, which is accompanied by several orders of magnitude changes in electrical resistivity and optical transmissivity. In this work, we report on the metal–insulator transition of VO2 nanoparticles which are produced by a simple, efficient, and low-cost two-step preparation method based on infrared laser irradiation of V2O5 powder dispersed in water and subsequent stoichiometric stabilization by vacuum annealing at 773 K. VO2 nanoparticles have an average size of 36 nm with facet-like contours and undergo a structural phase transition from a monoclinic to a tetragonal phase, accompanied by a metal–insulator transition occurring around 323 K, which is about 17 K lower than bulk VO2. No evidence of the formation of intermediary metastable phases is observed. Our findings reveal that the size of VO2 nanoparticles is a key parameter to moving the transition closer to room temperature, which is important for many applications. [ABSTRACT FROM AUTHOR]

The phase transition temperature and crystallization kinetics of phase-change materials (PCMs) are crucial characteristics for their performance, data retention, and reliability in memory devices. Herein, the crystallization behavior and kinetics of a compositionally optimized, N-doped Ge-rich Ge–Sb–Te alloy (GGST) in the slow crystallization regime are systematically investigated using synchrotron x-ray diffraction (XRD) in situ during heat treatment. Uniform thin films (50, 25, 10, and 5 nm) of initially amorphous N-doped GGST are investigated. The specimens were heated up to 450 °C at a rate of 2 °C/min to estimate crystallization onsets by quantifiying the crystallized quantity during material transformation from the XRD patterns. Subsequent isothermal anneals have been performed to assess crystallization behavior and activation energies. Nucleation-controlled crystallization that progresses in two steps is observed, together with the emergence of Ge preceding cubic Ge2Sb2Te5, with a mild dependence of crystallization temperature on film thickness that is inverse to what has been observed in other systems. Ge and GST crystallization may be described occurring in three-time stages: (i) an incubation period; (ii) a fast growth period; and (iii) a very slow-growth period. Very high activation energies (between 3.5 and 4.3 eV) for each phase are found for the incubation time t0. The activation energy for Ge in the fast growth regime is close to the one reported for the crystallization of pure Ge films. In the case of Ge, the incubation time is strongly thickness-dependent, which may have important consequences for the scaling of memories fabricated with this class of materials. [ABSTRACT FROM AUTHOR]

A column-free immunoaffinity purification (CFIP) technique for sample preparation of aflatoxin B1 (AFB1) was developed using an AFB1-specific nanobody (named G8) and an elastin-like polypeptide (ELP). The reversible phase transition between liquid and solid in response to temperature changes was exhibited by the ELP which was derived from human elastin. The G8 was tagged with ELPs of various lengths (20, 40, 60, and 80 repeat units) at the C-terminus using recursive directional ligation (RDL). Coding sequences were then subcloned into pET30a at the multiple cloning sites. Bioactive recombinant proteins were produced by expressing them as inclusion bodies in Escherichia coli BL21 (DE3), then dissolved and refolded. Analysis by indirect competitive enzyme-linked immunosorbent assay (icELISA) and transition temperature (Tt) measurement confirmed that the refolded G8-ELPs preserved the ability to recognize AFB1 as well as phase transition when the temperature rose above Tt. To establish the optimal conditions for cleaning AFB1, the effects of various parameters on recovery were investigated. The recovery in ELISA tests was 95 ± 3.67% under the optimized CFIP workflow. Furthermore, the CFIP-prepared samples were applied for high-performance liquid chromatography (HPLC) detection. The recovery in the CFIP-HPLC test ranged from 54 ± 1.86% to 98 ± 3.58% for maize, rice, soy sauce, and vegetable oil samples. To the best of our knowledge, this is the first report combining the function of both nanobody and ELP to develop a cleanup technique for small molecules in a complex matrix. The CFIP for the sample pretreatment was easy to use and inexpensive. In contrast to conventional immunosensitivity materials, the reagent utilized in the CFIP was entirely biosynthesized without any chemical coupling reactions. This suggests that the nanobody–ELP may serve as a useful dual-functional reagent for the development of sample cleaning or purification methods. [ABSTRACT FROM AUTHOR]

A column-free immunoaffinity purification (CFIP) technique for sample preparation of aflatoxin B1 (AFB1) was developed using an AFB1-specific nanobody (named G8) and an elastin-like polypeptide (ELP). The reversible phase transition between liquid and solid in response to temperature changes was exhibited by the ELP which was derived from human elastin. The G8 was tagged with ELPs of various lengths (20, 40, 60, and 80 repeat units) at the C-terminus using recursive directional ligation (RDL). Coding sequences were then subcloned into pET30a at the multiple cloning sites. Bioactive recombinant proteins were produced by expressing them as inclusion bodies in Escherichia coli BL21 (DE3), then dissolved and refolded. Analysis by indirect competitive enzyme-linked immunosorbent assay (icELISA) and transition temperature (Tt) measurement confirmed that the refolded G8-ELPs preserved the ability to recognize AFB1 as well as phase transition when the temperature rose above Tt. To establish the optimal conditions for cleaning AFB1, the effects of various parameters on recovery were investigated. The recovery in ELISA tests was 95 ± 3.67% under the optimized CFIP workflow. Furthermore, the CFIP-prepared samples were applied for high-performance liquid chromatography (HPLC) detection. The recovery in the CFIP-HPLC test ranged from 54 ± 1.86% to 98 ± 3.58% for maize, rice, soy sauce, and vegetable oil samples. To the best of our knowledge, this is the first report combining the function of both nanobody and ELP to develop a cleanup technique for small molecules in a complex matrix. The CFIP for the sample pretreatment was easy to use and inexpensive. In contrast to conventional immunosensitivity materials, the reagent utilized in the CFIP was entirely biosynthesized without any chemical coupling reactions. This suggests that the nanobody–ELP may serve as a useful dual-functional reagent for the development of sample cleaning or purification methods. [ABSTRACT FROM AUTHOR]

A new substituted Hqnal ligand, Hqnal-5-Brq, and four resulting FeIII complexes [Fe(qnal-5-Brq)2]A·sol (A = NO3−, sol = CH3OH 1; A = ClO4−, sol = CH3OH 2; A = OTf−, sol = 2CH3OH·H2O 3; and A = NTf2−, sol = CH2Cl24; Hqnal-5-Brq = N-(5-bromo-8-quinolinyl)-2-hydroxynaphthaldimine), have been synthesized and characterized. All four complexes, despite having different anions, adopt similar 1D [Fe(qnal-5-Brq)2]+ cation chains linked by orthogonal π⋯π interactions. These chains are further connected to form 2D and 3D structures by other supramolecular interactions. Complexes 1–3 all exhibit abrupt spin crossover behaviors, with the transition temperatures being 230, 189, and 185 K, respectively, while complex 4 is in a high-spin state. The influence of solvents on spin crossover properties was assessed via magnetic measurements on the desolvated samples. Following desolvation, while complexes 1 and 2 show slight variations in their transition temperatures, complexes 3 and 4 undergo significant changes in their magnetic profiles. Desolvation in complex 3 leads to either a HS state or a very incomplete hysteretic transition with a low transition temperature for different sample batches. In contrast, the gradual desolvation in complex 4 leads to diminished solvent residues and progressive transition from a stable HS state to an SCO-active state. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) van der Waals (vdW) materials with promising electrical, magnetic, optical, and mechanical properties have shown great potential for next-generation electronics and spintronics. Among them, vdW Fe1+xTe with varying Fe contents exhibits exotic quantum phenomena such as magnetism and superconductivity. However, they are still underexplored for Fe1+xTe with sufficiently-high Fe contents, and the electrical transport properties of Fe1+xTe crystals with higher Fe contents are still unknown. Here, we grow a vdW antiferromagnetic crystal Fe1.3Te with a Néel temperature of ∼66 K by a Sn/Te-flux method. The as-grown Fe1.3Te has the highest Fe content (x = 0.3) compared to known Fe1+xTe systems, and shows a typical structural phase transition at ∼49 K. As the temperature increases, a transition from electron-dominated to hole-dominated charge carriers is observed in exfoliated Fe1.3Te nanosheets, with a decrease in transition temperature from ∼44 to ∼38 K by reducing the thickness from 323 to 19 nm. These findings provide opportunities for the study of Fe-based vdW magnets and their potential applications. [ABSTRACT FROM AUTHOR]

Rare earth ions doped ferroelectric ceramics have attracted much attention because rare earth ions can effectively regulate the ferroelectric and energy storage properties of ceramics. Herein, Ba 1- x Ca x Ti 1- y Hf y O 3 ceramics modified with Ca2+ and Hf4+ are prepared, and the effects of different Ca2+ and Hf4+ concentrations on the crystal structure, microstructure and electrical properties of Ba 1- x Ca x Ti 1- y Hf y O 3 ceramics are investigated. Through the analysis on the ceramic structure and electrical properties, Ba 0.96 Ca 0.04 Ti 0.85 Hf 0.15 O 3 (BCTH) ceramic shows excellent comprehensive performance. Using BCTH ceramic as matrix material, the influences of different Pr3+ concentrations on the structure and electrical properties of the BCTH: x %Pr3+ ceramics are studied. Energy storage efficiency (η) gradually increases with the increase of Pr3+ concentration, while the energy storage density (W d) shows a trend of first increasing and then decreasing, reaching the maximum value for x = 0.6 (W d = 0.338 J/cm3, η = 87.86 %), which was higher than that of pure BCTH ceramics (W d = 0.212 J/cm3, η = 78.05 %) increased by 59.43 % and 12.57 %, respectively. All the samples show good stability of energy storage temperature and frequency. After Pr3+ doping, the Curie transition temperature of the ceramics first increas and then decreases, and show a wider transition peak, indicating that the transition from ferroelectrics to relaxation ferroelectrics occurres. The excellent electrical properties of BCTH: x %Pr3+ ceramics indicate their potential application value in the field of electricity. [ABSTRACT FROM AUTHOR]

The concept of multisource energy harvesting has attracted attention in order to harvest multiple types of energy in a single material. In this work, Pb‐free (Ba,Ca)(Zr,Ti)O3 (BCZT) ceramics were used to investigate a combination of piezoelectric and pyroelectric energy harvesting behavior. The temperature dependence of the permittivity and the pyroelectric coefficient was measured, and the pyroelectric properties of BCZT were expected to improve near its orthorhombic–tetragonal phase transition temperature TO–T (∼40°C). The output voltage and current were measured using a BCZT plate, where the BCZT was oscillated under a temperature gradient to apply mechanical stress and temperature fluctuation simultaneously. The measured output voltage from the combined piezo‐ and pyroelectric contributions at a frequency of 2 Hz and with a load resistance of 10 MΩ was 1.4 times higher than the sole piezoelectric output voltage. The resulting combined output voltage was confirmed by finite element simulation. [ABSTRACT FROM AUTHOR]

Intermetallic phases with atomic ordering are highly active and stable in catalysts. However, understanding the atomistic mechanisms of disorder-to-order phase transition, particularly in multi-component systems, remains challenging. Here, we investigate the atom diffusion and phase transition within Pd@Pt-Co cubic nanoparticles during annealing, using in-situ electron microscopy and ex-situ atomic resolution element analysis. We reveal that initial outward diffusing Pd partially substitutes Pt, forming a (Pt, Pd)-Co ternary system in the surface region, enabling the phase transition at a low temperature of 400 °C, followed by shape-preserved inward propagation of the ordered phase. At higher temperatures, excessive interdiffusion across the interface changes the stoichiometric ratio, diminishing the atomic ordering, leading to obvious change in morphology. Calculations indicate that the Pd-substitute in (Pt, Pd)-Co system leads to a significantly lower phase transition temperature compared to that of Pt-Co alloy and thus a lower activation energy for atomic diffusion. These insights into atomistic behavior are crucial for future design of multi-component systems. Understanding atomic-level ordering in multi-component systems is a challenge. Here, the authors investigate atom diffusion in cubic Pd@Pt-Co nanoparticles and find that substitution of Pd into (Pt, Pd)-Co lowers the phase transition temperature. [ABSTRACT FROM AUTHOR]

Vanadium dioxide (VO2), a current favorite in the field of smart windows as a thermochromic material, faces limitations in practical application due to its high phase transition temperature (Tt, ~ 68 ℃) and wide hysteresis curve (ΔT). In this study, Ru-doped VO2 thin films with reduced Tt and narrower ΔT were prepared through co-sputtering tetravalent metal Ru and V using magnetron sputtering to form alloy thin films, followed by rapid thermal annealing. Compared with pure VO2 thin films, at the Ru doping concentration of 4.98 at%, the Tt was lowered from 59.6 °C to 35.8 °C, and the ΔT was reduced from 10.5 °C to 2.8 °C, primarily due to the structural similarity between RuO2 and rutile phase VO2, smaller grain size, and greater grain uniformity. The optical properties of Ru-doped VO2 thin films had also been discussed, revealing only minor reductions in luminous transmittance (Tlum) and the solar modulation ability (ΔTsol) when the Tt decreased to 35.8 °C. This methodology offers a viable path for applying VO2 in smart windows, providing effective reductions in Tt and ΔT with minimal impact on optical performance. [ABSTRACT FROM AUTHOR]

The Raman spectrum of CO2 from room temperature to 1800 K has been measured in a series of experiments. The differential Raman scattering cross-sections for the fundamental bands at 1285.41 cm−1 and 1388.18 cm−1 have been obtained from reference bands of H2 and N2 as intensity standards. The Raman cross-sections of CO2 hot bands, involving vibrational energy levels up to 5000 cm−1, were derived from those of the fundamental bands. The Raman cross-sections obtained this way were reduced to transition moments of the mean molecular polarizability, which make it possible to simulate the Raman spectrum of CO2 up to 2000 K. This paves the way for local or remote diagnostics of CO2 in hot environments using Raman based techniques. [ABSTRACT FROM AUTHOR]

Injectable and temperature-responsive Poly(N-Isopropylacrylamide) (PNIPAAm)/Chitosan composite hydrogels reinforced with cellulose nanocrystals (CNCs) were successfully fabricated via photopolymerization. 0.1–3% (w/v) of cellulose nanocrystals were incorporated into the PNIPAAm/chitosan matrix to form thermo-responsive injectable composite hydrogels. FT-IR spectra confirmed the successful formation of these hydrogels, highlighting the characteristic peaks PNIPAAm, chitosan and CNCs. The inclusion of CNCs led to a reduced pore size as compared to the control hydrogels. The mechanical properties of the hydrogel were characterized under various temperature conditions. Rheology tests showed that storage modulus (G′) increased significantly above 30 °C, indicating gel-like behavior. Thermogravimetric analysis showed thermal stability up to 300 °C. The volume phase transition temperatures (VPTT) of the hydrogels were found to be in the range of 34–38 °C, close to physiological body temperature. The equilibrium swelling ratio (ESR) of the CNC-containing hydrogels was higher than that of the control. In vitro studies with Human Dermal Fibroblast adult (HDFa) cells showed the hydrogels to be non-toxic, suggesting their potential for biomedical applications. [ABSTRACT FROM AUTHOR]

In this study, a new lightweight Al-Ti-Ta alloy was developed through a synergistic approach, combining CALPHAD methodology and entropy-driven design. Following compositional optimization, the Al87.5Ti6.25Ta6.25 (at.%) alloy was fabricated and isothermally heat-treated at 475 °C for 24 h to attain equilibrium. X-ray diffraction (XRD), scanning electron microscopy (SEM), and differential scanning calorimetry (DSC) analyses revealed a dual-phase microstructure comprising a 50 vol.% FCC matrix enriched in Al and 50 vol.% Al3(Ti,Ta)-type intermetallic phase (IP). Notably, the FCC phase exhibited a high-melting transition temperature of 660 °C, surpassing conventional Al-Si cast alloys. Phase-specific nanomechanical properties were evaluated using Nanoindentation. Microindentation tests demonstrated exceptional microhardness of approximately 3300 MPa. These results indicate the alloy's superior hardness compared to conventional alloys such as Al-Si (A390), 7075 Al alloy, and CP-Ti, even exceeding Ti-64 alloy at a 15% lower density. The alloy's stability under prolonged heat treatment at 475 °C, reflected by stable phases, microstructure, and mechanical properties, highlights its enhanced thermal stability, which can be attributed to entropy-driven phase stabilization. This study underscores the effectiveness of integrating entropy-driven design strategy with CALPHAD predictions for the accelerated development of advanced Al-based alloys. [ABSTRACT FROM AUTHOR]

The La0.9·0.1MnO2.9 compound were prepared by sol–gel method with the aim of obtaining a material with interesting magnetocaloric and thermoelectric properties. The prepared material crystallized in rhombohedric system with R-3c space group. In the magnetization vs. temperature graph, it is observed a paramagnetic (PM)-ferromagnetic (FM) transition with a Curie temperature TC of 209 K. From the fit of hysteresis cycle at 5 K, it is observed that the dominant contribution is ferromagnetic. A magnetic entropy change, calculated from the isothermal magnetization curves, was observed for the sample with a peak centered on TC. The total electronic density states (TDOS) show the coexistence of metallic behavior for spin-up states and semiconductor characteristic, with a Eg = 1.3 eV, for spin-down states. Thermoelectric properties analysis revealed promising behavior with ZT that assesses the efficacy of a compound in a thermoelectric field, reaching 1.1 at 420 K. [ABSTRACT FROM AUTHOR]

Fabrication of dielectrics at low temperature is required for temperature-sensitive detectors. For superconducting detectors, such as transition edge sensors and kinetic inductance detectors, AlMn is widely studied due to its variable superconducting transition temperature at different baking temperatures. Experimentally only the highest baking temperature determines AlMn transition temperature, so we need to control the wafer temperature during the whole process. In general, the highest process temperature happens during dielectric fabrication. Here, we present the cryogenic microwave performance of Si 3 N 4 , SiN x and α -Si using ICPCVD at low temperature of 75 ∘ C. The dielectric constant, internal quality factor and TLS properties are studied using Al parallel plate resonators. [ABSTRACT FROM AUTHOR]

We describe a thermodynamic model in which an aqueous glucose solution is treated as nanocrystals of glucose crystal hydrates immersed in a liquid phase. With the help of this model, we demonstrate that at temperatures close to phase transition temperature the solution is in a significantly non-equilibrium state, resulting in a dissipative spatio-temporal structure, which is a set of autowaves, generated by nanocrystals. We experimentally support these findings using light scattering data for the 32% aqueous glucose solution at temperatures between 20 and 70 °C. [ABSTRACT FROM AUTHOR]

Objective: The present study aimed to evaluate the phase transformation behavior and elemental analysis of thermomechanical-treated nickel–titanium (NiTi) rotary instruments, TruNatomy (Dentsply Sirona), HyFlex CM (coltene, Whaledent), and Neoendo Flex (Orikam healthcare India), using differential scanning calorimetry (DSC), X-ray diffraction (XRD), and energy dispersive X-ray spectrometry. Materials and Methods: A total of 18 NiTi rotary instruments, TruNatomy, Hyflex CM, Neoendo Flex, taper. 04, size 25 (except TruNatomy, size 26) were selected and were divided into three groups (n = 6). Three NiTi files from each group were investigated for the DSC test (n = 3). The two segments of each sample were cut carefully by slow-speed water-cooling carborundum disc at 3 mm from the tip and then 4 mm from the previous section. The mass of the samples was measured on the electronic balance and samples that weighed 10–15 mg were loaded into a 40 µL aluminum crucible. The samples are then subjected first to a heating cycle from 0°C to 100°C and subsequently a cooling cycle from 100°C to 0°C in the differential scanning calorimeter (Mettler-Toledo, NIT Srinagar) at a rate of 10°C min−1. XRD (Make. Rigaku Japan, smart lab 3kW, NIT Srinagar.) was performed to verify the DSC results. The remaining two samples from each group (n = 2) were subjected to XRD analysis. The sample preparation for XRD analyses was done precisely with slow speed water cooled carborundum disc and samples were sectioned into three segments. Each segment was 5 mm long and grounded to obtain a uniform smooth plane. The data obtained from DSC and XRD were subjected to origin 8.5 software and graphs were obtained that depict the transformation temperature and phase composition, respectively. Alloy distribution and trace elements of the NiTi rotary instruments were done using energy dispersive spectrometry microanalysis. Results: The DSC results showed that the TruNatomy, Hyflex CM, and Neo Endo instruments had an Austenite finish (Af) temperature exceeding 37°C. The XRD graphs show the different intensity peaks that correspond to the various phases of NiTi rotary instruments. The TruNatomy is predominantly Austenite, Hyflex CM exists mainly in R-phase with a variable amount of austenite and martensite, while Neoendo flex endo mostly contains austenite phase. The elemental analysis revealed that all three file systems show Nickel and Titanium within their bulk structure in an equiatomic ratio. Conclusion: This study concluded that TruNatomy is predominantly martensite with a variable amount of austenite phase. There are differences in thermal transition temperature between the files. [ABSTRACT FROM AUTHOR]

Various techniques, such as optical microscopy, high‐temperature confocal laser scanning microscopy, scanning electron microscopy, electron backscatter diffraction, and thermodynamic calculations, are employed to analyze the optimization mechanism of Ce on the inclusions and microstructures in F38MnVS as‐cast samples. The results show that the addition of Ce inhibits MnS precipitation at the grain boundaries and significantly reduces the diameters and aspect ratios of the inclusions. After Ce treatment, a new type of composite inclusion appears in the steel. The modification of the inclusions by Ce promotes the optimization of the as‐cast microstructure during solidification, which mainly exhibits austenite grain refinement and polygonal ferrite formation in the grains. Based on the misfit degree theory, the refinement of the austenite grains is because of the nucleation of austenite grains facilitated by Ce2O2S and CeAlO3. The increased nucleation of the intragranular polygonal ferrite is mainly attributed to Ce2O2S, Ce2S3, CeAlO3, and VC, which can promote the nucleation of α‐Fe. Simultaneously, the addition of Ce reduces the phase transition temperature, increases the driving force of the phase transition, and increases the nucleation rate. This study's results can provide a reference for the application of Ce treatment in the preparation of nonquenched tempered steel for automobiles. [ABSTRACT FROM AUTHOR]

Thermo‐responsive dielectric switching hybrid halides, displaying reversible dielectric bistability, have recently made them highly versatile and attractive for their structural tunability and rich functional properties. However, the substantial improvement of the dielectric switching operating range is limited near room temperature, and obtaining ultra‐wide dielectric switching temperature region is a major challenge. Herein, a remarkable dielectric switching effect is reported with ultra‐wide dielectric switching temperature region in a hybrid halide system, caused by dipolar orientational polarization ascribing order‐disorder phase transitions. The new A2BX4 hybrid halide [C6H5(CH2)4NH3]2ZnBr4 (4PBA‐ZnBr4) with an ultra‐wide dielectric hysteresis loop of about 55 K near room temperature is designed successfully through halogen substitution. Meanwhile, structurally similar hybrid materials 4PBA‐ZnI4 were designed as controls. More interestingly, the crystal structure, phase transition temperature (Tc), dielectric and semiconductor properties exhibit significant discrepancies as the halogen atoms vary from Br to I. This discovery provides an efficiently regulated anionic framework to construct hybrid halides with ultra‐wide high dielectric switching and reliable cycling stability by assembling with various cations, making them potentially excellent candidates for highly responsive room temperature smart switches or transducer devices. [ABSTRACT FROM AUTHOR]

When daytime tropical convection develops away from mesoscale disturbances, it typically transitions gradually from dry to shallow to deep convection on hourly timescales. The transition is commonly associated with the formation of larger horizontal boundary‐layer structures and an increasing level of cloud organization aloft. This study demonstrates that a spectral analysis of the resolved high‐resolution sub‐cloud flow features allows for a robust identification of dominant length scales and the quantification of their growth rates during the transition. Furthermore, it is shown that temperature, moisture, and horizontal winds develop multiple length scales with the largest ones growing up to several kilometers in magnitude. However, the vertical velocity behaves in a distinct manner developing significantly smaller values, comparable over land and ocean. This indicates stronger inherent limits of vertical velocity to self‐organize by size. Plain Language Summary: When tropical storms form away from big weather systems, they usually go through several stages, starting with shallow clouds and then gradually intensifying until deep clouds with anvils develop. As the transition progresses, larger flow patterns form in the air close to the ground, and the clouds above become more organized. This study found that by looking at high‐resolution modeling data in terms of energy distribution per structure size, we can see how these patterns change and grow over time. It also found that the sizes of temperature, moisture, and horizontal wind patterns are similar to each other and can be several kilometers wide. But the patterns of vertical motion behave differently, staying smaller and not growing as much, whether over land or ocean. This indicates natural limits to how big the structures of vertical air movement can get during the formation of local storms. Key Points: Simulated transition to deep convection over both land and ocean is analyzed using a novel method based on spectral analysisDominant sub‐cloud length scales for temperature, moisture, and wind grow linearly until the onset of deep convectionNotably, vertical velocity length scale remains at much lower values, indicating a weaker tendency to self‐organize by size [ABSTRACT FROM AUTHOR]

In this work, we characterize the temperature dependence of kinetic properties in heavy atom tunneling reactions by means of molecular dynamics simulations, including nuclear quantum effects (NQEs) via Path Integral theory. To this end, we consider the prototypical Cope rearrangement of semibullvalene. The reaction was studied in the 25–300 K temperature range observing that the inclusion of NQEs modifies the temperature behavior of both free energy barriers and dynamical recrossing factors with respect to classical dynamics. Notably, while in classical simulations the activation free energy shows a very weak temperature dependence, it becomes strongly dependent on temperature when NQEs are included. This temperature behavior shows a transition from a regime where the quantum effects are limited and can mainly be traced back to zero point energy, to a low temperature regime where tunneling plays a dominant role. In this regime, the free energy curve tunnels below the potential energy barrier along the reaction coordinate, allowing much faster reaction rates. Finally, the temperature dependence of the rate constants obtained from molecular dynamics simulations was compared with available experimental data and with semi‐classical transition state theory calculations, showing comparable behaviors and similar transition temperatures from thermal to (deep) tunneling regime. [ABSTRACT FROM AUTHOR]

Complex oxide heterointerfaces and heterostructures have demonstrated enormous emergent phenomena over the last decades, attributed to the reconstructions of mis‐matched crystalline structure, polarity, and spin ordering across the heterointerfaces. This work employs the heterostructures of La0.7Sr0.3MnO3 and CaFeO2.5 as model system to demonstrate an interface‐specific oxygen migration/reconstruction across the interfaces due to the mismatched chemical potential, which dramatically influences the ferromagnetic and electronic states of La0.7Sr0.3MnO3 layer. Specifically, the alternative stacking of octahedral (Oh) and tetrahedral (Td) layers in CaFeO2.5 are used to form two distinct heterointerfaces, namely the Oh‐Td and the Oh‐Oh interfaces with the adjacent La0.7Sr0.3MnO3 layer. Interestingly, the oxygen ion migrates toward opposite directions across the interface for these two cases, in which the CaFeO2.5 layer acts as an "oxygen pump" and manipulates the oxygen contents of its adjacent La0.7Sr0.3MnO3 layers. Such manipulation leads to a dramatically changed ferromagnetic transition temperature for the heterostructure with the Oh‐Td and Oh‐Oh interface. This work establishes a feasible and efficient strategy to control the oxygen ionic distribution through atomic‐scale interface design and opens up new opportunities to exploit emergent states at the complex oxide heterostructures through selective oxygen ion evolution. [ABSTRACT FROM AUTHOR]

ABSTRACT Microwave heating is an intriguing method for the synthesis of inorganic solids offering a variety of advantages over conventional furnace heating, such as fast heating and cooling rates as well as volumetric and selective heating of precursors. However, there are many open questions regarding this “black‐box” process, and insights into the effect of microwave radiation on different types of solids are generally missing. In situ Raman spectroscopy is a powerful technique to unravel chemical transformations and identify intermediate species during microwave solid‐state syntheses. A major challenge is the temperature measurement under microwave conditions because (metallic) thermocouples cannot be used and optical pyrometry has significant drawbacks. In contrast, Raman thermometry is a viable method that relies on the temperature‐induced shift of Raman signals. Here, we use this method to estimate the temperature during microwave heating of a model system (titania) that undergoes a phase transition at temperatures >800°C. The estimation is derived from a flexible double exponential calibration function applied to Raman spectroscopic peak shifts in the temperature‐resolved furnace heating data, which was found to describe two titania modes (one anatase and one rutile) extremely well. Based on a detailed error and uncertainty analysis, we suggest options to further optimize Raman thermometry for use in high‐temperature microwave heating conditions. [ABSTRACT FROM AUTHOR]

All-proportional solid solutions of the metal-free perovskite (H2dabco1−y, H2hmtay)(NH4)(BF4)3 ((d,h)-BF4) were crystallized via a mechanochemical method. Their molecular dynamics depend on the ratio y with a compositional boundary at y = 0.43, where H2dabco2+ was deduced to be at a dynamic disorder state, even below phase transition temperature to a plastic crystalline phase seen at y = 0. [ABSTRACT FROM AUTHOR]

Topological antiferromagnetic Mn3Sn crystals exhibit notable magnetic and transport properties, comparable to ferromagnets, and undergo various intriguing magnetic phase transitions during heating or cooling. The spin structures of Mn3Sn crystals are highly influenced by growth conditions and the stoichiometric ratio of Mn and Sn, which in turn affect the phase transition temperature and the transport signatures. In this work, we employed the flux method, carefully controlling factors such as melting temperature, cooling rate, sampling temperature, vacuum, and composition, and fabricated Mn2.991Sn1.009 bulk single crystals successfully. The size of the resulting single crystal after cutting is 6 × 5 × 3 mm3. The microstructure, magnetic and transport properties of the prepared single crystals were characterized parallel to and perpendicular to the z-axis. A strong and a weak magnetic phase transition were observed at 200 K and 280 K, respectively. Our results indicate that the magnetic phase transition of Mn3Sn crystals at 200 K involves a switch in the easy-axis of magnetization from in-plane to out-of-plane, corresponding to the anomalous Hall resistance peak at 200 K. These results show a clear correlation between the spin structure and Berry curvature in Mn3Sn crystals, which significantly affect the magnitude of the anomalous Hall effect. [ABSTRACT FROM AUTHOR]

A straightforward microfluidic approach has been developed to fabricate the monodisperse thermo‐responsive self‐bursting poly(N‐isopropylacrylamide) (PNIPAM) microcapsules for the rapid on‐demand release of liposoluble drugs. The PNIPAM microcapsules possess excellent structural integrity with a dense shell and spacious cavity, providing ample space for encapsulating liposoluble matters. The swollen hydrogel shells effectively prevent drugs leakage and contamination below the volume phase transition temperature (VPTT), while the shrunken hydrogel shells enable drugs to release from microcapsules above the VPTT. The microcapsules demonstrate rapid thermo‐responsiveness, with drug release occurring within 4–6 minutes and subsequent swelling taking place within 2–3 minutes. The PNIPAM microcapsules exhibit a reversible and repetitive swelling/shrinking response to temperature changes. The thermo‐responsive self‐bursting PNIPAM microcapsules exhibit great potential as microcarriers for encapsulating, storing, and rapidly releasing liposoluble substances such as drugs, fluorescent dyes, corrosion inhibitors, and other chemical ingredients. The simple, controllable and reproducible microfluidic approach presented here provides valuable guidance for the design and fabrication of monodisperse PNIPAM microcapsules. [ABSTRACT FROM AUTHOR]