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We report an enhanced magnetoelectric (ME) effect in spin–phonon coupled single-phase La1−xSmxYFe2O6 (0 ≤ x ≤ 1). The structural, electric, magnetic, and ME properties have been investigated to establish their interplay leading to magnetoelectricity. X-ray diffraction study suggests the facilitation of the P21nm phase (double perovskite lattice arrangements) formation and improved structural order due to the substitution of Sm in the lattice. Antiferromagnetic (AFM) transition ∼700 K along with a spin-reorientation transition around room temperature (RT) and below is observed in the thermomagnetic curve. The indication of short range ordering in the magnetization data in the form of a non-Griffiths-like phase (nGP) is observed. The short range ordering could be minimized along with consequent improvement in AFM ordering, due to Sm substitution. An enhanced (∼31% with respect to x = 0) RT first-order ME coupling coefficient ∼0.59 mV cm−1 Oe−1 in x = 0.75 composition is observed. The findings reported here open the door to exercise spin-reorientation transition in the spin–phonon coupled double perovskites for spintronic device applications. [ABSTRACT FROM AUTHOR]

Charged particle velocity-space diffusion in a prescribed one-dimensional turbulent electric field is investigated through numerical trajectories in phase-space and compared against quasi-linear theory (QL), including resonance broadening (RB). A Gaussian spectrum electric field of variable amplitude E is studied in conjunction with two plasma dispersion relations, namely, the Langmuir and ion-acoustic dispersion. A first parameter scan shows that RB effects become significant for a Kubo number K of a few percent. A Kubo number scan shows that diffusion increases as a power law of D ∝ K 3 ∝ E 3 / 2 for large Kubo numbers. Moreover, at large Kubo numbers, transport processes include significant diffusion measured at velocities much higher than the resonant region, where QL and RB predict negligible diffusion. For times much larger than the trapped particle flight time τb and the autocorrelation time τ0, the velocity distribution departs from a Gaussian. Nevertheless, measurements show that the variance increases linearly in time, with a Hurst parameter of H ∼ 0.5 , where the diffusion scales as K 5 / 2 ∝ E 5 / 4 and K 3 / 2 ∝ E 3 / 4 for small and large Kubo number, respectively. [ABSTRACT FROM AUTHOR]

A model calculation is presented to characterize the anomalous cross field transport of electrons in a Hall thruster geometry. The anomalous nature of the transport is attributed to the chaotic dynamics of the electrons arising from their interaction with fluctuating unstable electrostatic fields of the electron cyclotron drift instability that is endemic in these devices. The electrons energy gain from those background waves leads to a significant increase in their temperature along the perpendicular direction T ⊥ / T ∥ ∼ 4 and an enhanced cross field electron transport along the thruster axial direction. It is shown that the wave-particle interaction induces a mean velocity of the electrons along the axial direction, which is of the same order of magnitude as seen in experimental observations. [ABSTRACT FROM AUTHOR]

The presence of classical breathers and two-phonon bound state (TPBS) or quantum breather (QB) state through detailed quantum calculations have already been shown in technologically important ferroelectric materials, such as lithium niobate with antisite niobium charge defects concerning pinning transition, its control, and application. The latter was done in a periodic boundary condition with Bloch function in terms of significant variations of TPBS parameters against impurity, which is related to nonlinearity. In further extension of this work, in a non-periodic boundary condition and number-conserving approach, apart from various techniques available, only the temporal evolution of the number of quanta (i.e., phonons) in more sites is detailed in this present investigation for a generalized Klein-Gordon system with applications in ferroelectrics, metamaterials, and DNA. The critical time of redistribution of quanta that is proportional to the QB's lifetime in these materials shows different types of behavior in the femtosecond range, which gives rise to the possibilities for making various devices. [ABSTRACT FROM AUTHOR]

We investigate the pinning of domain walls in ferroelectrics on the basis of the two phonon bound state (TPBS) or discrete breather state due to impurity energy levels above the phonon continua in ferroelectrics such as LiNbO3 in order to show the pinning transition, which indicates the point of easiest switching. We predict, with the help of our quantum calculations, that every ferroelectric material has such a critical point of easy switching. Here we describe the quantum origin of pinning through the findings of analytical and numerical calculations, as interpreted by a TPBS concept by such impurity or nonlinearity induced modes, by plotting various TPBS parameters against the Landau coefficient and percent impurity content. This new approach might lead to many interesting applications for device manufacturing. [ABSTRACT FROM AUTHOR]

We report an enhanced magnetoelectric (ME) effect in spin–phonon coupled single-phase La1−xSmxYFe2O6 (0 ≤ x ≤ 1). The structural, electric, magnetic, and ME properties have been investigated to establish their interplay leading to magnetoelectricity. X-ray diffraction study suggests the facilitation of the P21nm phase (double perovskite lattice arrangements) formation and improved structural order due to the substitution of Sm in the lattice. Antiferromagnetic (AFM) transition ∼700 K along with a spin-reorientation transition around room temperature (RT) and below is observed in the thermomagnetic curve. The indication of short range ordering in the magnetization data in the form of a non-Griffiths-like phase (nGP) is observed. The short range ordering could be minimized along with consequent improvement in AFM ordering, due to Sm substitution. An enhanced (∼31% with respect to x = 0) RT first-order ME coupling coefficient ∼0.59 mV cm−1 Oe−1 in x = 0.75 composition is observed. The findings reported here open the door to exercise spin-reorientation transition in the spin–phonon coupled double perovskites for spintronic device applications. [ABSTRACT FROM AUTHOR]

Poly[vinylidene fluoride trifluoroethylene] (P[VDF/TrFE]) is a ferroelectric polymer and a candidate for the application in a ferroelectric field effect transistor, which is considered as a nonvolatile and nondestructive readout memory cell. In this contribution the authors focus on metal/ferroelectric/insulator/semiconductor capacitor structures with P[VDF/TrFE] as ferroelectric layer. Measuring the capacitance of Al/P[VDF/TrFE]/SiO2/Si stacks in dependence of the applied bias and analyzing the oxide capacitance in dependence of the thickness of the ferroelectric layer, they observe a formation of an interfacial nonferroelectric layer. This layer is responsible for reduced values of polarization profound for thinner P[VDF/TrFE] layers in this system. Capacitance-time measurements at such stacks show the possibility to distinguish between a higher and a lower capacitance state for more than 5 days. Long-time measurements revealed imprint and fatigue-like behavior. [ABSTRACT FROM AUTHOR]

Nucleation is a key step in the synthesis of a new material from a solution. The well-established lattice-gas models can be used to gain insight into the basic physics of nucleation pathways involving a single nucleus type. In many situations, a solution is supersaturated with respect to more than one precipitating phase. This can generate a population of both stable and metastable nuclei on similar timescales and, hence, complex nucleation pathways involving a competition between the two. In this study, we introduce a lattice-gas model based on two types of interacting dimers representing the particles in a solution. Each type of dimer nucleates to a specific space-filling structure. Our model is tuned such that stable and metastable phases nucleate on a similar timescale. Either structure may nucleate first, with a probability sensitive to the relative rate at which a solute is replenished from their respective reservoirs. We calculate these nucleation rates via forward flux sampling and demonstrate how the resulting data can be used to infer the nucleation outcome and pathway. Possibilities include direct nucleation of the stable phase, domination of long-lived metastable crystallites, and pathways in which the stable phase nucleates only after multiple post-critical nuclei of the metastable phase have appeared.

We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [Darjani et al., J. Chem. Phys. 151, 104702 (2019)], it was claimed that the lattice gas with third nearest neighbor exclusion undergoes two phase transitions with increasing density with the phase at intermediate densities exhibiting hexatic order with continuously varying exponents. Although a hexatic phase is expected when the exclusion range is large, it has not been seen earlier in hard core lattice gases with short range exclusion. In this paper, by numerically determining the entropies for all densities, we show that there is only a single phase transition in the system between a low-density fluid phase and a high density ordered sublattice phase and that a hexatic phase is absent. The transition is shown to be first order in nature, and the critical parameters are determined accurately.

Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this phenomenon appeal only to the ability of particles to move persistently in a direction that fluctuates, but existing lattice models of hard particles that account for this behavior do not exhibit phase separation. Here we present a lattice model of active matter that exhibits motility-induced phase separation in the absence of velocity alignment. Using direct and rare-event sampling of dynamical trajectories, we show that clustering and phase separation are accompanied by pronounced fluctuations of static and dynamic order parameters. This model provides a complement to off-lattice models for the study of motility-induced phase separation.

The equations of hydrodynamics including mass, linear momentum, angular momentum, and energy are derived by coarse-graining the microscopic equations of motion for systems consisting of rotary dumbbells driven by internal torques. In deriving the balance of linear momentum, we find that the symmetry of the stress tensor is broken due to the presence of non-zero torques on individual particles. The broken symmetry of the stress tensor induces internal spin in the fluid and leads us to consider the balance of internal angular momentum in addition to the usual moment of momentum. In the absence of spin, the moment of momentum is the same as the total angular momentum. In deriving the form of the balance of total angular momentum, we find the microscopic expressions for the couple stress tensor that drives the spin field. We show that the couple stress contains contributions from both intermolecular interactions and the active forces. The presence of spin leads to the idea of balance of moment of inertia due to the constant exchange of particles in a small neighborhood around a macroscopic point. We derive the associated balance of moment of inertia at the macroscale and identify the moment of inertia flux that induces its transport. Finally, we obtain the balances of total and internal energy of the active fluid and identify the sources of heat and heat fluxes in the system.

We propose a numerical algorithm for calculation of quantized directed motion of a stochastic system of interacting particles induced by periodic changes of control parameters on the graph of microstates. As a main application, we consider models of catenane molecular motors, which demonstrated the possibility of a similar control of directed motion of molecular components. We show that our algorithm allows one to calculate the motion of a system in the space of its microstates even when the considered phase space is combinatorially large (~1 × 10(6) microscopic states). Several general observations are made about the structure of the phase diagram of the systems studied, which may be used for rational design and efficient control of new generations of molecular motors.

Synthetic nanoscale complexes capable of mechanical movement are often studied theoretically using discrete-state models that involve instantaneous transitions between metastable states. A number of general results have been derived within this framework, including a "no-pumping theorem" that restricts the possibility of generating directed motion by the periodic variation of external parameters. Motivated by recent experiments using time-resolved vibrational spectroscopy [Panman et al., Science 328, 1255 (2010)], we introduce a more detailed and realistic class of models in which transitions between metastable states occur by finite-time, diffusive processes rather than sudden jumps. We show that the no-pumping theorem remains valid within this framework.

A dramatic reduction in the excited-state intramolecular proton transfer (ESIPT) rate is observed for 3-hydroxyflavone (3-HF) within the nanoscopic polar domains of Aerosol-OT (AOT)/n-heptane reverse micelle solutions. It is attributed to the formation of intermolecularly hydrogen-bonded 3-HF:AOT complexes, which cause a significant disruption of intramolecular hydrogen bonding within the complex-bound 3-HF molecules, thereby limiting the overall rate of the ESIPT process. Introduction of strong hydrogen-bonding polar solvents like water or methanol into the reverse micelles causes extensive solvation of the AOT head groups, leading to the collapse of the 3-HF:AOT complex and eventual release of intramolecularly hydrogen-bonded 3-HF molecules which are then able to undergo ultrafast ESIPT. With increasing W-value (W=[polar solvent]:[AOT]), a larger number of 3-HF:AOT complexes are decimated, thus accelerating the overall ESIPT process. In contrast, in presence of solvents like acetonitrile, whose hydrogen-bonding power is inherently weak, the AOT head groups are poorly solvated, so that the 3-HF:AOT complexes are hardly affected at any W-value. Consequently the ESIPT dynamics of 3-HF in acetonitrile-containing AOT reverse micelles is nearly independent of the W-value, and always slower compared to that in water- or methanol-containing AOT reverse micelles. The results highlight the importance of hydrogen-bonding property of the polar solvent on the ESIPT of 3-HF within a nanoscopic domain.

Direct observation of time-resolved emission spectra (TRESs) of cadmium sulfide nanoparticles in polymer solutions was carried out with picosecond resolution using a streak camera. The TRESs were found to undergo a pronounced time-dependent Stokes shift, eventually coinciding with the steady-state photoluminescence spectra within an approximately 40 ns delay time. Moreover, approximately 90% of the shift was complete within the first 1 ns after excitation, in contrast to the fact that overall photoluminescence involves very long time constants of 10-100 ns. The observed Stokes shift dynamics was very similar in CdS nanoparticles stabilized in two very different types of polymer solutions. Thus the solvent and/or polymeric stabilizer appeared to have a minimal effect on the shift. We propose that the relaxation proceeds through an internal mechanism involving the fast decay of high-energy traps into relatively slow-decaying low-energy traps. Time-dependent photoluminescence anisotropy experiments also revealed an approximately 1 ns decay component appearing only in the higher-energy end of the photoluminescence spectrum. Because this time constant is too short to represent rotational diffusion of the nanometer-sized particles, it was associated with the rapid relaxation of the high-energy trap states.

Amphiphilic diblock copolymers with the same hydrophilic but different hydrophobic blocks were used as stabilizing agents to prepare cadmium sulfide nanoparticles in aqueous solutions containing 5% of different nonaqueous solvents: methanol, THF, and acetone. Nearly spherical nanoparticles with a fair degree of monodispersity and quantum yields of 1.5%-2% were obtained. Optical absorption band edge of the CdS nanoparticles shows a >0.5 eV blueshift compared to that of bulk CdS, indicating a high degree of quantum confinement. The absorption spectra, while insensitive to the nature of the hydrophobic blocks, exhibited a clear dependence on the nature of the minor, nonaqueous solvents. The photoluminescence in all cases was broad and redshifted, indicating a predominance of surface trap-state emission. Time-resolved photoluminescence demonstrates that the trap states are populated within the first 500 fs, followed by decay with a broad range of time constants from 0.1 to >10 ns, low energy traps decaying at a slower rate than high-energy ones. Time-resolved photoluminescence anisotropy revealed that the nanoparticles experience a local microviscosity very similar to that of bulk water. The experimental observations suggest that nanoparticle formation takes place predominantly in the hydrophilic corona region of the micelles, around specific points with high local concentration of the Cd+2-coordinating basic amine groups of hydrophilic block and/or the minor, nonaqueous solvent component.