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Bismuth-Yttrium Oxide Bi3YO6 (BYO) is well-known among researchers for its potential applications in different fields but its use as an electrode for asymmetric supercapacitor (ASC) has not yet been discussed and uncovered. As high energy and power densities could be well achieved with the aid of optimum potential. In the current scenario, BYO is used as an electrode material for ASCs for the first time. The material is prepared by a solid-state reaction method and its structural, morphological, and electrochemical properties have been explored by using different characterization tools. Structural analysis declared the flourite based structure of BYO having a cubic phase without any visible impurity. In a morphological analysis, a mesoporous thin film with a high surface area (~ 36.6 m2 g−1) with a narrow pore width of (~ 5–18 nm) has been observed. The as-prepared BYO employed as an electrode material for SCs delivers a high specific capacitance of (388 F g−1 at 100 m Vs−1 in the three-electrode system) with excellent cycling stability (5% loss after 6000 cycles). Essentially, an ASC is assembled using BYO and rGO as a positive and negative electrodes operating in a stable and wide potential window up to 2.2 V. Moreover, a high energy density of 11 Wh kg−1 along with a power density of 648 W kg−1 is obtained and maintained a high power density of 888 W kg−1 with the downfall of energy density to 3.7 Wh kg−1. The results prove electrode material as an alternative promising candidate for ASCs.

Thrifty thermoelectric cooling Currently available thermoelectric devices for cooling rely on expensive bismuth telluride. Mao et al. systematically developed a far less expensive n-type magnesium-bismuth–based material with good thermoelectric properties. They built a device that could generate a temperature difference of up to 90 kelvin when coupled with a commercially available p-type material. Such materials should provide an excellent basis for cost-effective thermoelectric cooling technology. Science , this issue p. 495

We use femtosecond extreme ultraviolet pulses derived from a free electron laser to excite and probe surface acoustic waves (SAWs) on the (001) surface of single crystal SrTiO3. SAWs are generated by a pair of 39.9 nm pulses crossed at the sample with the crossing angle defining the SAW wavelength at 84 nm. Detection of SAWs is performed via diffraction of a time-delayed 13.3 nm probe pulse by SAW-induced surface ripples. Despite the low reflectivity of the sample in the extreme ultraviolet range, the reflection mode detection is found to be efficient because of an increase in the diffraction efficiency for shorter wavelengths. We describe a methodology for extracting the SAW attenuation in the presence of a thermal grating, which is based on measuring the decay of oscillations at twice the SAW frequency. The proposed approach can be used to study ultrahigh frequency SAWs in a broad range of materials and will bridge the wave vector gap in surface phonon spectroscopy between Brillouin scattering and He atom scattering.

Graphene has been combined with molybdenum disulfide (MoS2) to ameliorate the poor cycling stability and rate performance of MoS2 in lithium ion batteries, yet the underlying mechanisms remain less explored. Here, we develop multiscale modeling to investigate the enhanced electrochemical and thermal transport properties of graphene/MoS2 heterostructures (GM-Hs) with a complex morphology. The calculated electronic structures demonstrate the greatly improved electrical conductivity of GM-Hs compared to MoS2. Increasing the graphene layers in GM-Hs not only improves the electrical conductivity but also stabilizes the intercalated Li atoms in GM-Hs. It is also found that GM-Hs with three graphene layers could achieve and maintain a high thermal conductivity of 85.5 W/(m·K) at a large temperature range (100–500 K), nearly 6 times that of pure MoS2 [∼15 W/(m·K)], which may accelerate the heat conduction from electrodes to the ambient. Our quantitative findings may shed light on the enhanced battery performances...

Recent advancements in thermoelectric materials have largely benefited from various approaches, including band engineering and defect optimization, among which the nanostructuring technique presents a promising way to improve the thermoelectric figure of merit (zT) by means of reducing the characteristic length of the nanostructure, which relies on the belief that phonons' mean free paths (MFPs) are typically much longer than electrons'. Pushing the nanostructure sizes down to the length scale dictated by electron MFPs, however, has hitherto been overlooked as it inevitably sacrifices electrical conduction. Here we report through ab initio simulations that Dirac material can overcome this limitation. The monotonically decreasing trend of the electron MFP allows filtering of long-MFP electrons that are detrimental to the Seebeck coefficient, leading to a dramatically enhanced power factor. Using SnTe as a material platform, we uncover this MFP filtering effect as arising from its unique nonparabolic Dirac band dispersion. Room-temperature zT can be enhanced by nearly a factor of 3 if one designs nanostructures with grain sizes of ∼10 nm. Our work broadens the scope of the nanostructuring approach for improving the thermoelectric performance, especially for materials with topologically nontrivial electronic dynamics.

SiO2@C core-shell submicrospheres (SiO2@C) were fabricated via molecular self-assembly process in wet-chemistry condition and followed by post-calcination. SEM and TEM indicated the outer diameter of SiO2@C is ∼300–400 nm. The diameter of inner SiO2 core can be controlled from maximum size to zero by NaOH solution etching. XRD, TG-DSC, BET, Raman and XPS were adopted to reveal its microstructure and elemental composition. Systematic electrochemical tests manifested that the specific capacity of SiO2@C reduces at the beginning then increases with the decrease of SiO2 core diameter. The underlying Li+ storage mechanism is discussed and analyzed, which illustrates that the effective utilization of active sites is the key for electrochemical performance when SiO2@C used as anode material for LIBs. And the completely etched hollow mesoporous carbon sphere without SiO2 core (HMCS, SiO2@C-12 h) exhibited the highest capacity and rate capability (349.2 mA h/g at 100 mA/g after 200 cycles; 316.0 mA h/g at 400 mA/g), which is due to the effective Li+ active sites benefitted from its conductive and porous carbon network.

Phosphorene, a new two-dimensional (2D) semiconducting material, has attracted tremendous attention recently. However, its structural instability under ambient conditions poses a great challenge to its practical applications. A possible solution for this problem is to encapsulate phosphorene with more stable 2D materials, such as graphene, forming van der Waals heterostructures. In this study, using molecular dynamics simulations, we show that the thermal stability of phosphorene in phosphorene/graphene heterostructures can be enhanced significantly. By sandwiching phosphorene between two graphene sheets, its thermally stable temperature is increased by 150 K. We further study the thermal transport properties of phosphorene and find surprisingly that the in-plane thermal conductivity of phosphorene in phosphorene/graphene heterostructures is much higher than that of the free-standing one, with a net increase of 20-60%. This surprising increase in thermal conductivity arises from the increase in phonon group velocity and the extremely strong phonon coupling between phosphorene and the graphene substrate. Our findings have an important meaning for the practical applications of phosphorene in nanodevices.

Materials with high thermal conductivity (κ) are of technological importance and fundamental interest. We grew cubic boron nitride (cBN) crystals with controlled abundance of boron isotopes and measured κ greater than 1600 watts per meter-kelvin at room temperature in samples with enriched [superscript 10]B or [superscript 11]B. In comparison, we found that the isotope enhancement of κ is considerably lower for boron phosphide and boron arsenide as the identical isotopic mass disorder becomes increasingly invisible to phonons. The ultrahigh κ in conjunction with its wide bandgap (6.2 electron volts) makes cBN a promising material for microelectronics thermal management, high-power electronics, and optoelectronics applications., Office of Naval Research (Grant N00014-16-1-2436)

The present work investigates the deformation characteristics of a temperature sensitive hydrogel. The state of mechanical and chemical equilibrium is first formulated via a variational approach, upon which a finite element model is developed and implemented through user-defined material subroutine UMAT in the commercial software ABAQUS. We will show that this UMAT implementation allows for more versatility in the imposition of initial conditions over existing models developed using UHYPER subroutine. Furthermore, we propose an approach to simulate the transient swelling process of a temperature sensitive hydrogel. This is achieved through the simultaneous application of three user-defined subroutines, which model the constitutive properties of the gel, as well as the diffusion of solvent molecules within the gel. Several numerical case studies are presented to verify the present model developed with experimental data, as well as to illustrate its capabilities in simulating a wide array of complex gel phenomena, including surface creasing, bifurcation and buckling of gels. Through these numerical examples, we are able to gain deeper insights, and explain some of the new interesting physical phenomena observed in reported experiments.

Undergoing large volumetric changes upon incremental environmental stimulation, hydrogels are interesting materials which hold immense potentials for utilization in a wide array of applications in diverse industries. Owing to the large magnitudes of deformation it undergoes, swelling induced instability is a commonly observed sight in all types of gels. In this work, we investigate the instability of photo-thermal sensitive hydrogels, produced by impregnating light absorbing nano-particles into the polymer network of a temperature sensitive hydrogel, such as PNIPAM. Earlier works have shown that by using lights of different intensities, these hydrogels follow different swelling trends. We investigate the possibility of utilizing this fact for remote switching applications. The analysis is built on a thermodynamic framework of inhomogeneous large deformation of hydrogels and implemented via commercial finite element software, ABAQUS. Various examples of swelling induced instabilities, and its corresponding dependence on light intensity, will be investigated. We show that the instabilities that arise have their morphologies dependent on the light intensity.

Using non-equilibrium molecular dynamics simulations, we investigate the thermal transport in van der Waals heterostructures consisting of alternating multilayer graphene and multilayer MoS2. It is found that the thermal conductance at graphene/MoS2 (G/M) interface is much lower than that at graphene/graphene (G/G) and MoS2/MoS2 (M/M) interfaces. This low interfacial thermal conductance is attributed to the low friction at G/M interface, which significantly reduces the contribution of shearing modes to the thermal conductance. It is also found that there is no thermal rectification at the G/M interface as the thermal conductance is independent on the heat flux direction. Moreover, the interfacial thermal conductance can be effectively tuned by cross-plane strain. More specifically, a 5% tensile strain is able to reduce the interfacial thermal conductance by 70%; while a 5% compressive strain is able to increase the thermal conductance by 150%. Unexpectedly, the G/M interfacial thermal conductance is found to increase with increasing the defect density near the interface, which is in strong contrast to the in-plane thermal conductivity. This unexpected increase in thermal conductance can be explained by the enhanced phonon coupling at the G/M interface arising from the enhanced interface friction caused by the defects.

Measuring anisotropic thermal conductivity has always been a challenging task in thermal metrology. Although recent developments of pump–probe thermoreflectance techniques such as variable spot sizes, offset pump–probe beams, and elliptical beams have enabled the measurement of anisotropic thermal conductivity, a metal film transducer enabled for the absorption of the modulated pump laser beam and the detection of the thermoreflectance signal. However, the existence of the transducer would cause in-plane heat spreading, suppressing the measurement sensitivity to the in-plane thermal conductivity. In addition, the transducer film also adds complexity to data processing, since it requires careful calibration or fitting to determine extra parameters such as the film thickness and conductivity, and interface conductance between the transducer and the sample. In this work, we discussed the methodology for measuring in-plane thermal conductivity of layered semiconductors and semimetals without any transducer layer. We show that the removal of transducer results in the dominantly large sensitivity to in-plane thermal conductivity compared with other parameters, such as cross-plane thermal conductivity and the absorption depth of the laser beams. Transducerless frequency-domain thermoreflectance (FDTR) measurements are performed on three reference layered-materials, highly ordered pyrolytic graphite, molybdenum disulfide (MoS2), and bismuth selenide (Bi2Se3) and demonstrated using the analytical thermal model that the measured in-plane thermal conductivity showed much-improved accuracy compared with conventional FDTR measurement with a transducer., Office of Naval Research (Grant N00014-16-1-2436), National Science Foundation (Grant CBET-1851052)

Through first-principles calculations, the phonon-limited transport properties of cubic boron-V compounds (BP, BAs and BSb) are studied. We find that the high optical phonon frequency in these compounds leads to the substantial suppression of polar scattering and the reduction of inter-valley transition mediated by large-wavevector optical phonons, both of which significantly facilitate charge transport. We also discover that BAs simultaneously has a high hole mobility (2110 cm2/V-s) and electron mobility (1400 cm2/V-s) at room temperature, which is rare in semiconductors. Our findings present a new insight in searching high mobility polar semiconductors, and point to BAs as a promising material for electronic and photovoltaic devices in addition to its predicted high thermal conductivity., Comment: 18 pages, 4 figures

In the hydrodynamic regime, phonons drift with a nonzero collective velocity under a temperature gradient, reminiscent of viscous gas and fluid flow. The study of hydrodynamic phonon transport has spanned over half a century but has been mostly limited to cryogenic temperatures (~1 K) and more recently to low-dimensional materials. Here, we identify graphite as a three-dimensional material that supports phonon hydrodynamics at significantly higher temperatures (~100 K) based on first-principles calculations. In particular, by solving the Boltzmann equation for phonon transport in graphite ribbons, we predict that phonon Poiseuille flow and Knudsen minimum can be experimentally observed above liquid nitrogen temperature. Further, we reveal the microscopic origin of these intriguing phenomena in terms of the dependence of the effective boundary scattering rate on momentum-conserving phonon-phonon scattering processes and the collective motion of phonons. The significant hydrodynamic nature of phonon transport in graphite is attributed to its strong intralayer sp2 hybrid bonding and weak van der Waals interlayer interactions. As a boundary-sensitive transport regime, phonon hydrodynamics opens up new possibilities for thermal management and energy conversion.

Monolayer molybdenum disulfide (MoS2), a new two-dimensional material beyond graphene, has attracted tremendous attention recently. Its applications in nanoelectronic and thermoelectric devices usually require manipulating the thermal transport properties. Using nonequilibrium molecular dynamics simulations, we investigated the effects of lattice defects and mechanical strain on the thermal conductivity of MoS2. We found that the thermal conductivity of monolayer MoS2 can be effectively tuned by introducing even a small amount of lattice defects. For example, a 0.5% concentration of mono-Mo vacancies is able to reduce the thermal conductivity by about 60%. Remarkably, the thermal conductivity of the defected sample can further be tuned by mechanical strain. For example, a 12% tensile strain is able to reduce the thermal conductivity by another 60%. We also found that the tensile strain exerts almost the same impact on the thermal conductivity of both pristine and defective MoS2, which signifies that there...

This paper presents a systematical study on polycrystalline diamond (PCD) tool performance during high-speed milling of high volume fraction (65 %) and small size (nominal size 10 μm) SiC particle-reinforced aluminum, which is rarely reported before. The influence of milling parameters (milling speed and feed rate) and PCD particle size on tool wear were investigated. The results indicated that the tool wear increased dramatically with the milling speed, and it was not suitable to mill the material above 300 m/min for the industrial application. Larger feed rate could achieve larger removed volume before VC reached 0.6 mm, while the pattern reverses in terms of milling time. The optimized PCD particle size is 10 μm. The main wear modes of PCD tool were flank wear and crater wear, and the wear mechanism was analyzed by scanned electronical microscope (SEM), laser scanning microscope (LSM), and Raman spectroscopy.

Last few years have witnessed significant enhancement of thermoelectric figure of merit of lead telluride (PbTe) via nanostructuring. Despite the experimental progress, current understanding of the electron transport in PbTe is based on either band structure calculation using first principles with constant relaxation time approximation or empirical models, both relying on adjustable parameters obtained by fitting experimental data. Here, we report parameter-free first-principles calculation of electron and phonon transport properties of PbTe, including mode-by-mode electron-phonon scattering analysis, leading to detailed information on electron mean free paths and the contributions of electrons and phonons with different mean free paths to thermoelectric transport properties in PbTe. Such information will help to rationalize the use and optimization of nanostructures to achieve high thermoelectric figure of merit.

Lattice defects typically reduce lattice thermal conductivity, which has been widely exploited in applications such as thermoelectric energy conversion. Here, an anomalous dependence of the lattice thermal conductivity on point defects is demonstrated in epitaxial WO3 thin films. Depending on the substrate, the lattice of epitaxial WO3 expands or contracts as protons are intercalated by electrolyte gating or oxygen vacancies are introduced by adjusting growth conditions. Surprisingly, the observed lattice volume, instead of the defect concentration, plays the dominant role in determining the thermal conductivity. In particular, the thermal conductivity increases significantly with proton intercalation, which is contrary to the expectation that point defects typically lower the lattice thermal conductivity. The thermal conductivity can be dynamically varied by a factor of ≈1.7 via electrolyte gating, and tuned over a larger range, from 7.8 to 1.1 W m-1 K-1 , by adjusting the oxygen pressure during film growth. The electrolyte-gating-induced changes in thermal conductivity and lattice dimensions are reversible through multiple cycles. These findings not only expand the basic understanding of thermal transport in complex oxides, but also provide a path to dynamically control the thermal conductivity.

As a new processing method for hard-to-cut materials, compound machining of EDM milling and arc machining has the extremely high processing efficiency. The study of machining parameters is indispensable to the research of the process performance. In this paper, a large number of single factor experiments under different processing parameters were carried out by using compound EDM arc milling machining technology. The effects of different peak current, arc pulse duration, arc pulse interval, spindle speed and the external diameter of the electrode on processing efficiency, the surface roughness(SR) and relative electrode wear rate(REWR) were obtained. More importantly, different optimal parameters to get the highest processing efficiency, minimal SR and REWR were also acquired to provide support for future research.

The deformation behavior of a pH-sensitive hydrogel micro-fluidic valve system is investigated using inhomogeneous gel deformation theory, in which the fluid-structure interaction (FSI) of the gel solid and fluid flow in the pipe is considered. We use a finite element method with a well adopted hydrogel constitutive equation, which is coded in commercial software, ABAQUS, to simulate the hydrogel valve swelling deformation, while FLUENT is adopted to model the fluid flow in the pipe of the hydrogel valve system. The study demonstrates that FSI significantly affects the gel swelling deformed shapes, fluid flow pressure and velocity patterns. FSI has to be considered in the study on fluid flow regulated by hydrogel microfluidic valve. The study provides a more accurate and adoptable model for future design of new pH-sensitive hydrogel valves, and also gives a useful guideline for further studies on hydrogel fluidic applications.

Materials with high thermal conductivities are crucial to effectively cooling high-power-density electronic and optoelectronic devices. Recently, zinc-blende boron arsenide (BAs) has been predicted to have a very high thermal conductivity of over 2000 W m−1 K−1 at room temperature by first-principles calculations, rendering it a close competitor for diamond which holds the highest thermal conductivity among bulk materials. Experimental demonstration, however, has proved extremely challenging, especially in the preparation of large high quality single crystals. Although BAs crystals have been previously grown by chemical vapor transport (CVT), the growth process relies on spontaneous nucleation and results in small crystals with multiple grains and various defects. Here, we report a controllable CVT synthesis of large single BAs crystals (400–600 μm) by using carefully selected tiny BAs single crystals as seeds. We have obtained BAs single crystals with a thermal conductivity of 351 ± 21 W m−1 K−1 at room temperature, which is almost twice as conductive as previously reported BAs crystals. Further improvement along this direction is very likely.

When exposed to an external solvent, a dry polymeric network imbibes the solvent and undergoes large deformation. The resulting aggregate is known as a hydrogel. This swelling process is diffusion driven and thus results in differential swelling during transient swelling. When subjected to external geometrical constraints, such as being rigidly fixed or attachment to a compliant substrate, wrinkles have been shown to appear due to mechanical instabilities. In the case of free swelling, there are no external constraints to induce the instabilities accounting for wrinkling patterns. However, during the transient swelling process, the swelling differential between the gel on the exterior and the interior causes compressive stresses and gives rise to mechanical instabilities. It is also observed that the time dependence of the swelling profile causes the wrinkles to evolve with time. In this work, we investigate this interesting phenomenon of transient wrinkle mode evolution using the finite element and state-space methods. From our simulations and prediction, we find that there is an inverse relation between critical wave number and time, which has earlier been observed in experiments.

We investigate the in-plane and cross-plane thermal conductivities of molybdenum disulfide (MoS2) using non-equilibrium molecular dynamics simulations. We find that the in-plane thermal conductivity of monolayer MoS2 is about 19.76 W mK(-1). Interestingly, the in-plane thermal conductivity of multilayer MoS2 is insensitive to the number of layers, which is in strong contrast to the in-plane thermal conductivity of graphene where the interlayer interaction strongly affects the in-plane thermal conductivity. This layer number insensitivity is attributable to the finite energy gap in the phonon spectrum of MoS2, which makes the phonon-phonon scattering channel almost unchanged with increasing layer number. For the cross-plane thermal transport, we find that the cross-plane thermal conductivity of multilayer MoS2 can be effectively tuned by applying cross-plane strain. More specifically, a 10% cross-plane compressive strain can enhance the thermal conductivity by a factor of 10, while a 5% cross-plane tensile strain can reduce the thermal conductivity by 90%. Our findings are important for thermal management in MoS2 based nanodevices and for thermoelectric applications of MoS2.

In this study, we adopt different material models to study the strength and stiffness of menisci of the knee joint using finite element method. The three-dimensional (3-D) knee joint finite element model is constructed based on the Magnetic Resonance (MR) images of a human knee joint, and the strength of menisci is analyzed under a specific vertical loading case. In this paper we categorize and implement three types of appropriate material properties, namely isotropic linearly elastic, transversely isotropic elastic and isotropic hyperelastic for menisci of the knee joint. Different strain energy models are also studied and compared under hyperelastic category. The comparative study demonstrates that the hyperelastic model with Ogden form is more appropriate in modeling menisci of the knee joint. By referring to the test data of different material properties from earlier studies by various researchers, we hope to provide a comparative study leading to appropriate menisci material models and properties for finite element analyses of knee joint structures.