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At the line of triple contact of an elastic body with two immiscible fluids, the body is subjected to a force concentrated on this line, the fluid–fluid surface tension. In the simple case of a semi-infinite body, limited by a plane, a straight contact line on this plane, and a fluid–fluid surface tension normal to the plane, the classical elastic solution leads to an infinite displacement at the contact line and an infinite elastic energy. By taking into account the body–fluid surface tension (i.e., isotropic surface stress) and applying Kolosov's approach of plane strain elasticity, we present a new and simple expression of the solution concerning the semi-infinite body, which gives a finite displacement and a ridge at the contact line, and finite elastic energy. A detailed description of the displacements, strains, and stresses in the neighborhood of the contact line is given. This solution also shows that Green's formulae, in the volume and on the surfaces, are valid (these formulae play a central role in the theory). [ABSTRACT FROM AUTHOR]

The thermal transport and elastic properties of materials are often measured using the laser-induced transient grating spectroscopy (TGS) technique. The analysis of the TGS signal usually involves fitting well-known expressions, derived assuming the limiting cases of opaque or transparent materials, to the measured data. In this paper, the system of thermoelastic equations is analytically solved for an isotropic homogeneous material assuming finite laser penetration depth, which is an important consideration when the penetration depth is on the order of the acoustic wavelength. The need to use such a solution is discussed and compared to the expression for opaque material. The solution is benchmarked against TGS signal measured on single-crystal silicon with {100} surface orientation and is found to significantly improve the accuracy of the calculated thermal diffusivity as compared to using the expression for opaque material. [ABSTRACT FROM AUTHOR]

Constitutive models are essential for describing the mechanical behavior of materials under high temperatures and pressures, among which the Steinberg–Guinan (SG) model is widely adopted. Recent work has discovered a peculiar dual anomaly of compression-induced softening and heating-induced hardening in the elasticity of compressed vanadium [Phys. Rev. B 104, 134102 (2021)], which is beyond the capability of the SG model to describe. In this work, a modified SG elasticity constitutive model is proposed to embody such an anomalous behavior. Elemental vanadium is considered as an example to demonstrate the effectiveness of this improved model in describing the dual anomalies of elasticity. This new SG elasticity model can also be applied to other materials that present an irregular variation in the mechanical elasticity and are important to faithfully model and simulate the mechanical response of materials under extreme conditions. [ABSTRACT FROM AUTHOR]

We present results of resonant ultrasound spectroscopy (RUS) measurements applied to granular high explosive materials at different bulk pressing densities and degree of thermal conditioning. The material chosen in this study is a ubiquitously used explosive material known as pentaerythritol tetranitrate (PETN), which is used commercially in civil and defense applications both as a binderized plastic bonded explosive material and an unbinderized neat material. However, changes in granular PETN bulk elastic properties due to thermal conditioning, which could have implications for better understanding environmental aging-related effects, have not been well studied even though it is believed that elasticity may play an important role in explosive material initiation mechanisms. Furthermore, monitoring elastic property changes in granular explosive pressings has not yet been demonstrated using RUS, which is an appealing non-destructive characterization tool that requires only dry point contact with the explosive material. To this end, we report the first study using RUS to quantify the elastic properties of binderized and neat PETN pressings as well as to quantify changes in elastic properties as a function of both thermal conditioning and bulk pressing density. Elastic stiffness coefficients, sometimes more commonly referred to as elastic constants, calculated from the RUS measurements on the different PETN-based materials show a significant increase for the post-conditioned samples compared to the pre-conditioned samples. This trend of increasing elastic properties with thermal conditioning was consistent for different density pressings, different thermal exposure conditions, and even different neat PETN pressings of differing average crystal sizes and/or specific surface areas. [ABSTRACT FROM AUTHOR]

Owing to magnetoelastic coupling, surface acoustic waves (SAWs) may be scattered resonantly by magnetic elements, such as nickel stripes. The scattering may be further enhanced via the Borrmann effect when the elements are organized into an array that matches the acoustic wavelength. We use finite-element modeling to consider single- and double-layer stripes patterned on top of a lithium niobate surface that carries Love surface waves. We do observe enhancement in the coupling for single-layer stripes, but only for Gilbert damping below its realistic value. For double-layered stripes, a weak yet clear and distinct signature of Bragg reflection is identified far away from the acoustic band edge, even for a realistic damping value. Double-layered stripes also offer better magnetic tunability when their magnetic period is different from the periodicity of elastic properties of the structure because of staggered magnetization patterns. The results pave the way for the design of magnetoacoustic metamaterials with an enhanced coupling between propagating SAWs and local magnetic resonances and for the development of reconfigurable SAW-based circuitry. [ABSTRACT FROM AUTHOR]

A review of the structural, elastic, and thermodynamic properties of cubic and hexagonal ScxAl1−xN crystals over the range of possible random alloys is provided. Based on measured and simulated lattice and internal cell parameters of NaCl (B1), CsCl (B2), and α-ZnS (B3) type cubic ScxAl1−xN lattices as well as of β-ZnS (B4), lh-MgO (Bk), and NiAs (B81) type hexagonal ScxAl1−xN crystals, their atomic positions, distances to nearest neighbor atoms, geometric dimensions of crystal cells, mass density, as well as their average bond length and bond angles are presented in dependence on the alloy composition. The understanding gained about the crystal lattices is used to provide a model for the transitions from the β-ZnS to the lh-MgO or NaCl lattice induced by the alloying of AlN with ScN. Based on published data sets of stiffness coefficients, the compliance coefficients, Young's modulus, shear modulus, Poisson's ratio, compressibility, and the sound velocities are presented in relation to the orientation of representative crystal planes and axes for rock salt, layered hexagonal, and wurtzite ScxAl1−xN crystals. Particular attention is paid to the directional anisotropies of elastic properties of the different crystal lattices if Sc atoms substitute an increasing number of Al atoms. Based on sound velocities determined, an overview of the fundamental thermodynamic properties of cubic and hexagonal ScxAl1−xN alloys is provided, such as the Debye temperature, heat capacity, minimum heat conduction, and melting temperature. [ABSTRACT FROM AUTHOR]

This paper presents results of a comprehensive study from first principles into the properties of Ni, Pd, Rh, and Ir crystals under pressure. We calculated elastic constants, phonon spectra, isotherms, Hugoniots, sound velocities, relative structural stability, and phase diagrams. It is shown that in nickel and palladium under high pressures (>0.14 TPa) and temperatures (>4 kK), the body-centered cubic structure is thermodynamically most stable than of the face-centered cubic one. Calculated results suggest that nickel under Earth-core conditions (P ∼ 0.3 TPa, T ∼ 6 kK) have a bcc structure. No structural changes were found to occur in Rh and Ir under pressures to 1 TPa at least. This paper also provides estimations for the pressure and temperature at which the metals of interest begin to melt under shock compression. [ABSTRACT FROM AUTHOR]

This paper presents a theoretical study of a graded piezoelectric composite consisting of an infinitely long graded radially polarized piezoelectric cylinder embedded in an isotropic elastic non-piezoelectric matrix, under an external strain field. The physical properties of the graded cylindrical inclusion have a power-law profile with respect to the cylindrical radial variable. Using the variable separation method, closed-form solutions for the elastic displacement and electrical field in the entire composite regions are derived from the governing equation. The effective elastic and piezoelectric properties of the graded piezoelectric composite are formulated and discussed. The study reveals a vanishing mechanism of effective piezoelectric response in the graded radially polarized cylindrical piezoelectric composite. In addition, the paper derives the effective elastic formulas of the graded cylindrical elastic composites for the purely elastic problem and discusses the effects of graded property parameters on the effective elastic properties. [ABSTRACT FROM AUTHOR]

MXenes' tunable properties make them excellent candidates for many applications in future nanoelectronics. In this work, we explore the suitability of Sc 2 CX (X=N 2 , ON, O 2) MXenes to act as the active anode materials in Na-ion based batteries (NIBs) by means of ab initio simulations. After analyzing the structural and elastic properties of all the possible models to evaluate the energetically favorable N and O functionalization sites, our calculations show that both Sc 2 CON and Sc 2 CN 2 present a clear metallic character, making them potential candidates as anode materials. The investigation of the most relevant features for anode performance, such as the adsorption and diffusion of Na atoms, the intrinsic capacity, the open circuit voltage, and the storage capacity, shows that both systems are serious alternatives to the most common 2D materials currently employed in alkali metal batteries. In particular, Sc 2 CN 2 presents better diffusion behavior thanks to the absence of Na clustering on its surface, with optimal diffusion barriers comparable to other 2D materials, such as MoN 2 , while the values of diffusion barriers for Sc 2 CON are at least three times smaller than those found for other anode candidates. Similarly, while the capacity of Sc 2 CON is close to the one reported for 2D Sc 2 C, Sc 2 CN 2 possesses a power density more than twice higher than the ones of 2D materials, such as Sc 2 C, graphite, and MoS 2. Our results, thus, confirm the urge for further experimental exploration of the MXene Sc 2 CX (X=N 2 , ON, O 2) family as anode material in NIBs. [ABSTRACT FROM AUTHOR]

Using the first-principles exact muffin-tin orbital method in combination with the coherent potential approximation, the crystal structure and site preference, magnetic and elastic properties, and martensitic transformation (MT) are systematically investigated with the three groups of Heusler alloys: (Co 2 − x M x)VGa (M1 x), Co 2 (V 1 − x M x)Ga (M2 x), and Co 2 V(Ga 1 − x M x) (M3 x , M = Ni and Fe, 0 ≤ x ≤ 1.0). It is shown that instead of the L 2 1 and X A structures, the fcc one is energetically preferred in the cubic M3x (x ≥ 0.8) alloys. In L 2 1 -Ni2x (x ≤ 0.6) and fcc-Ni3x (x = 0.8), Ni atoms even prefer the Ga and Co anti-sites, respectively, and the replaced atoms move to the sublattices of the deficient ones. Their total magnetic moment is dominated by the magnetic exchange interactions corresponding to the pairs of two Co atoms on the different sublattices in M = Ni and Fe1x, Co and Fe in Fe2x and Fe3x (x < 0.8), and Fe and Fe atoms in Fe3x (x ≥ 0.8) alloys, respectively. These Ni1x, Ni2x, and Fe3x with x ≥ 0.4 as well as Ni3x with x ≥ 0.2 alloys are predicted having the MT behavior and also the better mechanical property relative to Co 2 VGa. A lower shear modulus (C ′ = (C 11 − C 12) / 2) generally corresponds to a higher MT temperature, and these alloys, which can undergo the MT are further evaluated with C ′ < 36.50 GPa. Both considerable magnetocaloric and magnetovolume effects can be also expected during the MT of these Fe3x alloys (x = 0.4 and 0.6). In the remaining Fe1x and Fe2x alloys, the Fe doping disfavors the MT and also improves their brittleness. The structural preference of these cubic alloys and also their stability relative to the tetragonal martensite can be mainly attributed to the number of their minority density of states at the Fermi level: the smaller they are, the more stable their system tends to be. [ABSTRACT FROM AUTHOR]

In the solid state, the thermal properties of SCO materials give rise to a rich variety of behaviors, ranging from (i) simple continuous gradual spin transitions, corresponding to a Boltzmann population of two degenerate states to (ii) sharp first-order hysteretic[11] transitions, including (iii) incomplete transitions and (iv) two-step or multi-step spin transitions,[12] characterized by the presence of a macroscopic intermediate state in the course of the transition between the LS and the HS states. Ndiaye I et al i .[33] establish the existence of an isomorphism between the electro-elastic models developed for the spin transition and Ising-like models including competing interactions, which confirms the relevance of the spin models in describing the multi-step spin transitions. Indeed, due to the volume change accompanying the spin transition between the LS and the HS states, crystallography appears as a direct probe of the spin transition at several scales, giving information about the deformation of the molecular structure and its consequence on the expansion/contraction of the lattice along the spin transformation. Later on, new interesting initiatives emerge through the introduction of spin-phonon models and elastic models in which the spin states were coupled to the atomic displacements of the SCO lattice, renormalizing the ligand field to which an elastic contribution arising from the lattice is added. [Extracted from the article]

The elastic properties and solid solution strengthening of several Cu alloys that may be promising for high gradient applications were studied using ab initio calculations based on density functional theory. Specifically, the temperature and solute concentration dependence of elastic properties including bulk and shear moduli, thermal expansion coefficient, and heat capacity of these alloys were calculated. We found that the bulk and shear moduli are linearly dependent on the solute concentration in the dilute regime and change significantly for different Cu alloys. The thermal expansion coefficient and heat capacity are comparatively less sensitive to solute concentrations. Solid solution strengthening is observed to be linearly correlated with the change of lattice parameter of Cu. This work provides an in-depth understanding of the elastic properties of Cu alloys, which is key for predicting their performance at high gradient in normal conducting accelerating structures. [ABSTRACT FROM AUTHOR]

The structural, elastic, and basic thermodynamic properties of hexagonal ScxAl1−xN crystals are calculated and discussed over the whole range of possible random alloys, including the transition from wurtzite to the layered hexagonal structure. Based on a review of lattice and internal parameters in combination with complete datasets of stiffness coefficients published in the literature, differing in the considered alloying intervals and the predicted structural transitions, changes in the crystal lattices caused by the substitution of aluminum by scandium atoms are discussed and illustrated. Crystal properties like the mass densities, average bond angles, and bond lengths are calculated, and the compliance coefficients, Young's modulus, shear modulus, Poisson's ratio, compressibility, and sound velocities are determined depending on the alloy composition and in relation to the orientation of crystal planes and axes. Particular attention is paid to the occurring directional anisotropies and the changes in structural and elastic properties in the alloy region of the structural transition between wurtzite and layered hexagonal ScxAl1−xN crystals. The acoustic velocities determined are used to calculate basic thermodynamic properties such as the Debye temperature, heat capacity, and minimum heat conduction, as well as to evaluate both the influence of the alloying and the structural transition on these properties. [ABSTRACT FROM AUTHOR]

Here, we report time-resolved broadband transient reflectivity measurements performed in a single crystal of SnS2. We made use of time-domain Brillouin scattering and a broadband probe to measure the out-of-plane longitudinal sound velocity, υ L = (2950 ± 100) m s – 1 , in this semiconducting two-dimensional metal dichalcogenide. Our study illustrates the potential of this non-invasive all-optical pump–probe technique for the study of the elastic properties of transparent brittle materials and provides the value of the elastic constant c 33 = (39 ± 3) GPa. [ABSTRACT FROM AUTHOR]

The elastic moduli of most materials in nature are commonly assumed to be identical (symmetric) under compressive and tensile loading. Here, we report an obviously asymmetric elastic property of alkylthiol-capped gold nanocrystal superlattices (NCSLs) in compression and tension computed from fully atomistic molecular dynamics simulations. Elastic asymmetry exhibits a clear trend of increasing with the increasing strain, and we attribute the strain-dependent elastic asymmetry to the variations of interaction between flexible ligand molecules during elastic deformations. In compression, ligand molecules sterically interact more with each other to continuously stiffen the NCSL, while in tension, they interact less and cause less stiffness. Unlike hybrid molecular materials, we find that the terminal groups of ligand molecules in the superstructure play only a minor role in determining the elastic asymmetry of gold NCSLs. In addition, the elastic asymmetry is observed to be essentially independent of ligand length and core size. These findings are expected to deepen our understanding of underlying asymmetric elastic properties of NCSL materials and may find technological applications in device technologies. [ABSTRACT FROM AUTHOR]

We measured single crystal elasticity of Ta under high pressures up to 54 GPa at room temperature using inelastic x-ray scattering at room temperature. Simultaneously, we measured the density of Ta using x-ray diffraction. Combining the bulk modulus and density, we obtain an equation of state of Ta as a primary scale. The Vinet equation was fitted to the pressure–volume data and we found consistency with previous work including experimental static and shock compressions and theoretical calculation. We proposed a parameter set for the Vinet equation [K0 = 191.1(3) GPa, K′0 = 4.006(2)] which is consistent with the pressure based on extrapolated velocities within 2% up to ∼80 GPa. Furthermore, we found the present scale to be consistent with a recent ruby scale (Ruby2020) up to ∼50 GPa. [ABSTRACT FROM AUTHOR]

Balancing the piezoelectric stress coefficient (e33) and the elastic constant (C33) of AlN-based materials is challenging but crucial for its application in bulk acoustic wave resonators. In this work, via first-principles calculations, we demonstrate that e33 and C33 can be simultaneously enhanced by adding boron (B) in the ScxAl1−xN system. Compared with ScxAl1−xN, the large C33 in B0.125Scx−0.125Al1−xN is caused by the shorter and stiffer B–N bonds, and the enhancement of e33 mainly comes from a larger sensitivity of atomic coordinates with respect to the strain (| d u / d ε |). Further investigation shows that the introduction of B in ScxAl1−xN significantly decreases the ratio of lattice parameter c over a due to the planar coordination preference of bulk BN, which is accompanied by an increased average | d u / d ε | and e33. Such a negative correlation can be attributed to the fact that | d u / d ε | of N is proportional to the asymmetry of transversal bond strengths but inversely proportional to the overall average bond strengths around N atoms. Such a bonding character observed in this work could be beneficial to the design of wurtzite materials with large piezoelectric coefficients and high elastic constants. [ABSTRACT FROM AUTHOR]

Resonant ultrasound spectroscopy (RUS) is a mature and robust technique for the nondestructive characterization of the elastic properties of solids capable of providing the elastic constants of anisotropic crystalline solids. The traditional method is based on assuming that the solid is linear elastic and, therefore, obeys a linearized Hookean constitutive relationship (Hooke's law). In this article, an alternative constitutive law is provided that allows for an initial strain or prestrain to be present stemming from residual stress. Then, the constitutive relationship is integrated into the RUS framework. The model is demonstrated using a realistic prestrain field obtained by simulating shot-peening processing of a polycrystalline Cu sample. The sensitivity of the resonances to the developed prestrain is established and discussed. This work allows researchers to consider the influence of initial strain or residual stress in their samples and the potential influence on accurate elastic constant estimates. The model also supports the potential of RUS for the nondestructive characterization of prestrain in materials. [ABSTRACT FROM AUTHOR]

We report Brillouin light scattering measurements of monoclinic CdPS 3 , a 2D layered cadmium chalcogenophosphate. By measurement of over 400 spectra in different orientations and scattering geometries, acoustic phonons are measured to determine the 13 elastic stiffness coefficients, along with longitudinal and transverse sound velocities from Brillouin frequency shifts. Because the sample was polycrystalline with a high density of planar defects, it was not possible to assign a crystal orientation to each spectrum. Instead, we determined the anisotropy in the material properties through statistical analysis, treating each spectrum as coming from a randomly sampled crystal orientation. Values of the Voigt–Reuss averages for the bulk modulus, Young's modulus, the shear modulus, and Poisson's ratio are calculated from measured stiffnesses. This work demonstrates analysis of elastic properties of a polycrystalline, monoclinic 2D layered material through statistical analysis of a significant number of spectra. [ABSTRACT FROM AUTHOR]

The Foreign Object Damage problem is considered as the damage tolerance statement for consecutive loading tests, which include the shock-wave loading (by explosive generator) of massive planar targets (aluminum alloy AlMg6) to provide a billet for the specimen machining with controlled damage that is the analogous material of the fan blades subjected to high-speed collision with solid particles. These samples were used to perform high cycle fatigue and very high cycle fatigue tests with the ultrasonic testing machine, which allows fatigue loading for 108–1010 cycles with an amplitude of up to several tens of micrometers and a frequency of 20 kHz. It is shown that the fatigue strength of AlMg6 alloy specimens pre-loaded by shock in the 109 cycle regime reduces by 24%. The fatigue damage-failure transition and crack initiation were studied by the amplitude–frequency analysis of higher harmonics associated with the influence of defects on the effective elastic properties. The structural study of the fracture surface for the specimens after consecutive loading was conducted using the profilometry data to identify the roughness scale invariants induced by defects for corresponding areas responsible for the staging of fatigue damage-failure transition. The scale invariants and corresponding lengths were used for the formulation of the generalized Paris law for the crack advance in the damaged material. [ABSTRACT FROM AUTHOR]

Carbon aerogels (CAs) are emerging carbon-based cellular materials with high porosity, low density, and a variety of functions. The combination of all these unique properties contributes to their wide applications in flexible sensors, energy devices, acoustic devices, and environmental applications. However, their wide applications are strictly limited by poor mechanical robustness. The existing conflicts between mechanical robustness and the sparse network of porous materials have never received due attention. Good robustness could ensure structural integrity and performance stability for practical applications of aerogels. Here, we discuss recently emerged strategies for optimizing mechanical robustness, including cell-wall strengthening, cell-wall orientation, pore topology control, and joint reinforcement. Particularly, we conclude advanced design principles to achieve stretching elasticity of CAs without introducing intrinsically stretchable elastomers. In addition, we briefly overview the recent applications of robust CAs and provide an outlook on the open questions for obtaining more mechanically robust CAs. [ABSTRACT FROM AUTHOR]

The mechanical properties of the cell membrane play an important role in electroporation. This paper studied the influence of the mechanical properties of the cell membrane on the transition energy of electroporation through both modeling and experiments. An electromechanical coupling model of a single pore on the cell membrane was established in COMSOL, and the effect of elastic strain energy on the formation of pores was analyzed. Additionally, to compare the transition energy barrier of pores for different elastic properties of the cell membrane, electroporation experiments were carried out at different temperatures. The simulation showed that the elastic strain energy of the cell membrane increased the transition energy barrier of the pores. The experiments also showed that the transition energy barrier was larger when the elasticity of the cell membrane is intact, which was in good agreement quantitatively with the simulation results. We demonstrated that the mechanical properties of the cell membrane hinder the pore formation, which may be due to the increase of the transition energy barrier. We analyzed the possible mechanism of the effect of cell membrane mechanical properties on electroporation and found the contribution of cell membrane mechanical properties to electroporation during the delivery of exogenous substances, which can provide guidance for improving therapies in electrochemotherapy. [ABSTRACT FROM AUTHOR]

Four new boron nitride polymorphs hP24 BN, hP18-I BN, mP36 BN, and hP18-II BN with sp2 hybridization are investigated in this study by first-principles calculations, including the structural properties, stability, elastic properties, anisotropy, and electronic properties. Predicted by the electronic band structure, all the BN polymorphs in hP24, hP18-I, mP36, and hP18-II phase are wide bandgap semiconductor materials with a bandgap of 2.97–4.72 eV. Meanwhile, the bandgap of hP24 BN is larger than that of ZnO, and the bandgaps of hP18-I BN, mP36 BN, and hP18-II BN are larger than those of GaN and SiC. The new boron nitride polymorphs have mechanical stability, dynamic stability, and thermodynamic stability by analyzing the elastic constants, phonon spectra, and related enthalpies. The values of B/G of hP24 BN, hP18-I BN, mP36 BN, and hP18-II BN are all larger than 1.75, which confirms that they are ductile materials. Their densities are around 2.100 g/cm3, which are smaller than that of the c-BN (3.466 g/cm3). BN polymorphs in this study show different degrees of anisotropy in Young's modulus, and hP24 BN has the largest anisotropy in Young's modulus, while mP36 BN displays the smallest Young's modulus anisotropy. [ABSTRACT FROM AUTHOR]

The first-principles calculations were used to comprehensively assess the structural, electronic, magnetic, and elastic properties of Fe23−xCrxC6 (x = 0–23). The absolute temperature stability follows the sequence of Fe1Cr22C6 (Fe: 4a) > Fe3Cr20C6 (Fe: 4a, 8c) > Fe15Cr8C6 (Fe: 4a, 8c, 48h) > Fe23C6 (Fe: 4a, 8c, 32f, 48h). There is a coexistence of covalent, ionic, and metallic bonds in Fe23C6, Fe15Cr8C6, Fe3Cr20C6, Fe1Cr22C6, and Cr23C6 according to the electronic analysis. In addition, the iron content of 0.4 triggers the magnetic transition, suggesting that a critical point exists between the paramagnetic nature and ferromagnetism. Around the concentration of x = 0.5, the longer nearest neighbor length of Fe–C corresponds to the higher value of magnetic moment. Up to the iron content of 1.0, Fe23C6 carbides give rise to an extraordinary magnetic property. The composition and Wyckoff position collectively determines the mechanical properties. Except for the hardness, the mechanical property improves with increasing chromium concentrations. Furthermore, the compounds Fe23−xCrxC6 (x = 0, 9, 10, 11) are brittle. The present work enriches the pool of information that is necessary for the design and property control of Fe-based materials. [ABSTRACT FROM AUTHOR]

Owing to their atomic thickness and low bending rigidity, suspended two-dimensional (2D) materials are prone to wrinkle formation. Here, we use molecular dynamics (MD) simulations to probe the effect of these wrinkles on the nonlinear elasticity of atomically thin graphene membranes. We observe a stress–strain response that consists of two linear regions that are separated by a transition. It is found that this transition is sharp in membranes where wrinkles are formed by uneven stresses at the boundaries. However, when wrinkles are formed by crystal defects, this nonlinear transition is seen to be more gradual. To capture these effects, we use a phenomenological model based on experimentally measurable quantities. We demonstrate the model's fidelity by fitting it to the MD simulated nonlinear response of many graphene membranes providing evidence that the sharpness of the transition between the linear regions in the stress–strain response is a measure of the type of wrinkles and can be quantified by our model. [ABSTRACT FROM AUTHOR]

Mechanical spectroscopy measurements are reported on rods of (Bi1−xSbx)2Te3 and (Bi1−xSbx)2(Te1−ySey)3 polycrystalline thermoelectric (TE) composite alloys produced by mechanical alloying and hot extrusion. Low internal friction (Q−1) and large stiffness coefficients obtained in the 293–573 K range corroborate the improved elastic properties of these hot extruded and highly textured polycrystalline materials that have enhanced TE properties. Their stiffness shows a quadratic (decreasing) temperature dependence, and the value for most composites is larger than that of conventional single-phase random alloys and hot extruded bismuth telluride. One particular damping mechanism in Q−1, believed to be due to grain boundary motion, is thermally activated at temperatures higher than 420 K. The prefactor of the Arrhenius law correlates with the activation enthalpy (Δh) for every composite. It varies exponentially with Δh for more than six orders of magnitude for activation enthalpies up to 0.9 eV. The observation of this enthalpy–entropy compensation effect results from the existence of a maximum in energy dissipation in a linear regime of weak perturbations. This simple explanation is proposed to apply to this ubiquitous effect which has been observed in many areas of physics, chemistry, and biology. [ABSTRACT FROM AUTHOR]

Tip-force-induced domain switching in ferroelectrics has recently attracted extensive interest as it provides an alternative switching strategy that might ease the problems brought by electrical switching. From the viewpoint of mechanics, substrate elasticity can largely modify the tip-induced deformation of ferroelectric thin films. However, so far, discussions on the influence of substrate elastic properties on such domain switching still remain exclusive. Here, a phase-field model is employed to study the influence of substrate stiffness on the domain switching in BaTiO3 (BTO) thin films, with the strain and stress distributions in BTO thin films and substrates solved by the finite element method. The results demonstrate that the substrate stiffness and loading modes (i.e., pressing and sliding) have a great influence on the symmetry of strain and stress distributions. The switched domain size is highly dependent on the substrate stiffness and loading modes. The switching is more efficient for thin films on a softer substrate. Moreover, the domain could be switched more effectively by the sliding mode under relatively large forces. Our study thus provides a strategy to increase the mechanical switching efficiency of ferroelectric thin films via tuning the substrate elasticity. [ABSTRACT FROM AUTHOR]

We report the compressibility of two Prussian blue analogs (PBAs) under hydrostatic pressure, one with small and one with a relatively large cubic unit cell among PBAs, and investigate the modification of their elastic properties when the two lattices are coupled within a heteroepitaxial core–shell structure. Bulk modulus (K0) values are derived from x-ray powder diffraction experiments using a diamond anvil cell with silicone oil as a pressure-transmitting medium. The pressure–volume curves fitted to Murnaghan equations of states show that K0 inversely scales with the crystal packing for the rubidium cobalt hexacyanoferrate and rubidium nickel hexacyanochromate samples (K0 ∼ 29 GPa for Co-Fe PBA, a0 = 9.95 Å and ∼20 GPa for Ni-Cr PBA, a0 = 10.48 Å with a0 being the lattice constant at ambient pressure). The two single-phase samples undergo a cubic-to-rhombohedral phase transition above ∼0.8 GPa, which correlates fairly well with the build-up of nonhydrostatic pressure contributions in the cell. Within the core–shell structure, the volume change observed for the core scales with that of the shell because of the configuration close to the case of a solid pressure-transmitting medium. The Ni-Cr PBA shell layer exhibits an increased rhombohedral distortion with respect to the single-phase reference possibly associated with shearing at the core–shell interface. Its bulk modulus is not significantly modified with respect to that of the single-phase sample despite the presence of defects associated with the growth mode, whereas the P-V curve of the core suggests a stiffening of the Co-Fe PBA lattice. [ABSTRACT FROM AUTHOR]

Single-phase hexagonal close-packed structure of the ScYLaGdTbDyHoErLu high-entropy alloy was studied in detail. The applicability of the rule of mixture was analyzed with respect to the lattice constant, mechanical parameters, elastic properties, melting point, and hardness of the alloy. Significant tension-compression asymmetry has been found and explained by the strength differential effect during the uniaxial tests. Numerous deformation twins and high densities of stacking faults can be observed from the morphological characterization by a transmission electron microscope, which governs the main deformation mechanism during the plastic deformation in the current high-entropy alloy. [ABSTRACT FROM AUTHOR]

The elastic properties of γ-LiAlO2 were reinvestigated with the aid of resonant ultrasound spectroscopy (RUS) at ambient conditions. A strong discrepancy of the elastic coefficients derived by RUS can be found from the experimental results from the literature, where c12 and c13 deviate from our results by up to 60% (46 GPa). In contrast to the experimental cij from the literature, we can recognize a good agreement between the elastic coefficients derived from RUS and the values using density functional theory. The dielectric permittivity was measured on large plane-parallel plates, and the piezoelectric stress coefficient e123=0.14Cm−2 was derived from RUS measurements at ambient conditions. The heat capacity between 4 and 398 K has been obtained by microcalorimetry using a relaxation calorimeter. The Debye temperature was derived from heat capacity measurements (ΘCp=676 K) and RUS measurements (Θelastic=688 K). [ABSTRACT FROM AUTHOR]

Ternary nitride semiconductors with tunable electronic structure and charge transport properties have attracted increasing attention as optoelectronic materials. The recently discovered ternary Mg T M N 2 (T M = Ti , Zr , Hf) are predicted to be nondegenerate semiconductors with visible-range optical absorption onsets. In the present study, the electronic structure, elastic properties, optical absorption spectrum, and dynamic stability of the Mg T M N 2 system have been systematically studied by first-principles calculations based on the density functional theory. These compounds show semiconductor characteristics with a bandgap ranging from 1.0 to 1.5 eV predicted by the Heyd–Scuseria–Ernzerhof approach. Compared to the traditional semiconductors of Si and GaAs and III–V nitrides of GaN and AlN, these ternary nitrides have stronger resistance to external compression, shear strain, and deformation due to the larger elastic modulus. MgTiN 2 shows a strong anisotropy characteristic along the x y plane and z axis, while for MgZrN 2 and MgHfN 2 , a weak elastic anisotropy is predicted. The absorption regions of these compounds are mainly concentrated in the ultraviolet region, and MgTiN 2 is more sensitive to visible light with respect to the other two compounds. The thermodynamic stability of MgTiN 2 , MgZrN 2 , and MgHfN 2 is verified by the stable phonon dispersion relations. It is found that the most stable low Miller index surface is (110) for MgTiN 2 and (100) for MgZrN 2 and MgHfN 2. [ABSTRACT FROM AUTHOR]

This study reports on the elastic properties and the lattice thermal conductivity of amorphous Ge2Sb2Te5 and GeTe thin films using surface Brillouin scattering. It is demonstrated that this method allows for the determination of the isotropic elastic constants from the measured surface acoustic phonon frequencies. We found elastic constants of C 11 = 48.7 / 43.6 and C 44 = 14.3 / 9.4 GPa for GeTe and Ge2Sb2Te5, respectively. These results suggest acoustic hardening in GeTe compared to Ge2Sb2Te5 films, and this was supported by the derived, shear, and Young's moduli. The measured longitudinal and transverse velocities were used to determine the lower limit of the lattice thermal conductivity. In general, both chalcogenides alloys exhibit low lattice thermal conductivities of κ m i n < 0.50 W m − 1 K − 1 . This could be beneficial for thermal management in phase-change memory devices and for thermoelectric application. [ABSTRACT FROM AUTHOR]

Cobalt plays a crucial role in the systematic understanding of magnetic phenomena originating from 3d transition metals. Particularly, recent studies of Co systems doped with nitrogen (Co–N) have attracted a lot of attention for applications in spintronics and high-density magnetic data-storage devices. In this work, in order to understand the effect of interstitial incorporation of N atoms into a face-center cubic (fcc) Co lattice, we have studied the structure, elastic, and magnetic properties of spherical-like bulk CoNx (x = 0.06–0.07) samples. These samples were synthesized through a high-pressure solid-state metathesis reaction. We demonstrate that the use of a certain concentration of interstitial N atoms tends to stabilize the lattice of fcc Co at ambient conditions. Such a stabilizing effect is found to originate from the covalent bond between Co atoms and N atoms. High-pressure synchrotron x-ray diffraction indicates that the incorporation of N atoms into fcc Co has little effect on the elastic property up to 27.2 GPa with a bulk modulus (B0) of 200 GPa; the latter is found to be comparable to that of fcc and hcp Co. CoNx samples exhibited ferromagnetic behavior with saturation magnetization up to 153.55 emu/g and coercivity of 16.25 Oe. The introduction of small amounts of nitrogen in the cobalt matrix was found to induce a significant decrease in the coercive force parameter. [ABSTRACT FROM AUTHOR]

Concentrically elliptical coherent diffraction rings are observed when a collimated laser beam is reflected from a mica substrate with Cd3As2 nano-films grown on it. The diffraction pattern is found to be an interference effect of light reflected from the elastic deformation of the mica substrate. The deformation of the substrate is induced by the in-plane thermal expansion caused by the heat transfer from the Cd3As2 thin film, which acts as an efficient light absorber. This thermal–mechanical effect is different from various other mechanisms that can produce similar coherent diffraction patterns from a large variety of materials. Furthermore, we show that a quantitative analysis based on a simple optical interference of light beam reflected from the mechanically deformed substrate can interpret all main features of the observed diffraction pattern. The light induced thermal–mechanical effect provides an interesting novel approach to characterize the thermal and mechanical properties of elastic materials through their coherent interaction with light. Our findings may provide interesting opportunities for optical control of the mechanical properties of flexible materials and for in situ characterization of the deformation process. [ABSTRACT FROM AUTHOR]

A new family of hypophosphite-based ABX3 hybrid perovskite has caused a widespread range of attentions due to their structural diversity, phase transition, and magnetic and negative thermal expansion. As a continuation of searching for novel hybrid perovskites, this work reports a new hypophosphite-based hybrid perovskite, [Trz][Mg(H2POO)3] (TrzMgP, Trz+ = 1,2,4-triazole), which belongs to the centrosymmetric space group P21/c with ordered organic cations located in the perovskite cage windows. It is notable that the broad bandgap of TrzMgP is 5.82 eV, and the calculated band structure and density of states disclose that the Trz+ cations donate to the large indirect bandgaps with 4.36 eV. In addition, the full elastic constants of TrzMgP were calculated by density functional theory which enables the systematic mapping of their Young's moduli, shear moduli, and Poisson's ratios. Notably, TrzMgP exhibits low anisotropy and comparable rigidity with the formate perovskite. [ABSTRACT FROM AUTHOR]

The effects of local atomic and magnetic configurations on the phase stability and elastic property of the face-centered cubic (fcc) and two body-centered tetragonal [face-centered tetragonal (fctI) and fctII, with 0.9 < c / a < 1 and 0.71 < c / a < 0.9 , respectively, in the fct unit cell] phases of Fe 1 − x Pd x (0.28 ≤ x ≤ 0.34) shape memory alloys are systematically investigated by using the first-principles exact muffin-tin orbital method in combination with the coherent potential approximation. It is shown that, considering four types of atomic configurations in a fcc unit cell, the two with one random sublattice are both preferable in each x below 300 K. When T = 300 K, the one with three random sublattices also changes to be stabilized for x ≤ 0.30 , whereas that with four random sublattices becomes stable in most of these alloys until T ≥ 600 K. Upon tetragonal distortions, in these fully disordered alloys, both the fctI and fctII phases are unstable. The fctI phase is found for 0.29 ≤ x ≤ 0.33 , having only the configuration with one random sublattice on the same layer with the Pd site in the unit cell, whereas the fctII phase is obtained for x ≤ 0.30 , possessing all the configurations with one, two, and three random sublattices. These results representing the phase diagram of these alloys, their determined equilibrium lattice parameters, and elastic constants of the three phases at 0 K are in line with the experimental and theoretical data, and their estimated structural (T M) and magnetic (T C) transition temperatures are also close to the experimental data. Adding 4% magnetic disorder in Fe 0.70 Pd 0.30 , the fctII structure is effectively prevented, whereas the thermoelastic martensitic transformation of fcc–fctI can still be retained at 0 K. [ABSTRACT FROM AUTHOR]

We demonstrate that strong elastic pump wave pulses soften sandstone more in humidified conditions than they do in dry conditions and that this effect is repeatable and reversible. We assess these changes via the non-linear interactions of a strong pump wave with a weaker probe wave. We find that there is an exponential time constant (τ ≈ 13 days) associated with this process that is independent of the amplitudes of the pump and the probe, the phase delay between the two waves (the time between transmission of the pump and probe waves), the sampling rate, and whether the sample is being dried or humidified. We demonstrate that the humidity-dependent differences in the amount of softening are induced by only a very small amount of absorbed water vapor and argue that this water is intercalated within clay particles. We also show that our pump–probe experiments detect these humidity-dependent differences in the amount of softening easily and repeatably using an experimental design that does not rely on resonance conditions. This means that, in principle, our experiments could be more easily generalized to other experimental geometries to investigate non-linear elastic properties in complex or irregular sample geometries. Our method and findings have potential relevance in oil and gas exploration, civil engineering, and understanding of the mechanism of earthquakes. [ABSTRACT FROM AUTHOR]

Platinum (Pt)-based dilute solid solutions are an important category of high-temperature alloys and bond coatings. In this study, the effects of 33 alloying elements on the mechanical and electronic properties of dilute Pt-based solid solutions are systematically investigated under atom relaxation and full relaxation using first-principles calculations based on density functional theory. The negative mixing enthalpy of Pt-dilute solid solutions means that the solubility of the solute elements in the Pt-based dilute alloys is energetically favorable at 0 K. Niobium, rhenium, and scandium are promising candidate elements for increasing the hardness and ductility of dilute Pt-based solid solutions. In addition, the electronic basis for the mechanical properties of Pt-dilute solid solutions is investigated in terms of the electronic density and mean bond population. The results demonstrate that the Pt–X bond lengths are shorter than the Pt–Pt bond length, resulting in greater hardness. Moreover, the model for the composition dependent elastic properties is built based on the CALPHAD approach, which will be used to the Pt-based multiphase alloys in the future. As certain alloying elements improve the hardness and ductility of Pt, this research expands our knowledge of the mechanism of dilute Pt-based solid solutions and provides a basis for next-generation superalloys or bond coatings at higher temperatures. [ABSTRACT FROM AUTHOR]

The influences of co-alloying atom pairs Ta–X (X: Ta, Mo, W, Cr, Co, and Re) on the site preference and elastic properties of γ′-Ni3Al precipitate phase were studied using first-principles calculations, and the underlying mechanism for the strengthening effect is determined. It is found that the site preferences of Ta–X co-alloying atom pairs are in the sequence of Al–Al, Al–Ni, Ni–Al, and Ni–Ni sites except for Ta–Co. The atom pair Ta–Co does not display a strong site preference tendency. The elastic properties for the Al–Al configuration were examined, and the results were compared with those of single-alloying to investigate the co-alloying effect. It is shown that the elastic modulus and hardness are obviously improved by co-alloying. Moreover, the effect of co-alloying is stronger than that of single-alloying. The further analyses by the charge density difference and the electronic density of states reveal that the strong effect of the co-alloying is attributed to the enrichment of the charge density between X and its nearest-neighbor Ni, as well as the orbital hybridization between Ta/X-d and Ni-d which acts as covalentlike bonds. Our results can provide an in-depth insight into the physics in the strengthening effect of co-alloying elements on the mechanical properties of single crystal superalloys. [ABSTRACT FROM AUTHOR]

Two-photon polymerization (2PP) is a material processing technique employed for the production of high-resolution microstructures. The high potential of this technique in the fabrication of structured materials, or metamaterials, has recently attracted significant research interest. To proceed toward real applications, the mechanical properties of the material obtained by 2PP should be known. These properties depend on all the process parameters, which affect the cross-linking between the polymeric chains, and very few results are available in the literature. In this work, we perform a systematic characterization of the elastic properties of femtosecond laser-polymerized SZ2080 (hybrid organic–inorganic photoresist) by combining dynamic experimental tests and numerical simulations on properly designed microstructures. Studying the resonance frequencies of micro-cantilevers, we demonstrate the possibility of tailoring the mechanical properties of the material by changing the laser irradiation conditions. This result paves the way to the use of 2PP for the fabrication of microdevices operating in a dynamic regime with optimized material properties. [ABSTRACT FROM AUTHOR]

Low-symmetry 2D materials—such as ReS 2 and ReSe 2 monolayers, black phosphorus monolayers, group-IV monochalcogenide monolayers, borophene, among others—have more complex atomistic structures than the honeycomb lattices of graphene, hexagonal boron nitride, and transition metal dichalcogenides. The reduced symmetries of these emerging materials give rise to inhomogeneous electron, optical, valley, and spin responses, as well as entirely new properties such as ferroelasticity, ferroelectricity, magnetism, spin-wave phenomena, large nonlinear optical properties, photogalvanic effects, and superconductivity. Novel electronic topological properties, nonlinear elastic properties, and structural phase transformations can also take place due to low symmetry. The "Beyond Graphene: Low-Symmetry and Anisotropic 2D Materials" Special Topic was assembled to highlight recent experimental and theoretical research on these emerging materials. [ABSTRACT FROM AUTHOR]

A unified analytical approach to study the effects of elasticity, viscosity, and magnetic fields on the Richtmyer–Meshkov (RM) instability by using the impulsively accelerated model is presented. This model clarifies the discontinuity in the oscillation periods and yields the asymptotic decaying rate in elastic solids. It reveals that the complex eigenvalues produce better results compared with the numerical simulations for RM instability in viscous fluids and resolves the standing controversy between the analytical theory and numerical simulations at a vacuum/fluid interface. At last, it easily retrieves the results when the normal or tangential magnetic field is present. Those good agreements, between numerical simulations and theoretical analysis, would enable the model to be valuable in more complex situations such as in the elastic–plastic slabs with or without the presence of magnetic fields, as well as in the nonlinear regime. [ABSTRACT FROM AUTHOR]

The compressional (P) and shear wave velocities (S) and unit cell volumes (densities) of polycrystalline tungsten (W) have been measured simultaneously up to 10.5 GPa and 1073 K using ultrasonic interferometry in conjunction with x-ray diffraction and x-radiography techniques. Thermoelastic properties of W were derived using different methods. We obtained the isothermal bulk modulus KT0 = 310.3(1.5) GPa, its pressure derivative K′T0 = 4.4(3), its temperature derivative at constant pressure (∂ K T / ∂ T) P = − 0.0138 (1) GPa K − 1 and at constant volume (∂ K T / ∂ T) V = − 0.0050 GPa K − 1 , the thermal expansion α(0, T) = 1.02(27) × 10−5 + 7.39(3.2) × 10−9 T (K−1), as well as the pressure derivative of thermal expansion (∂ α / ∂ P) T = − 1.44 (1) × 10 − 7 K − 1 GP a − 1 based on the high-temperature Birch–Murnaghan equation of state (EOS), the Vinet EOS, and thermal pressure approach. Finite strain analysis allowed us to derive the elastic properties and their pressure/temperature derivatives independent of the choice of pressure scale. A least-squares fitting yielded KS0 = 314.5(2.5) GPa, KS0′ = 4.45(9), (∂KS/∂T)P = − 0.0076(6) GPa K−1, G0 = 162.4(9) GPa, G0′ = 1.8(1), (∂G/∂T)P = − 0.0175(9) GPa K−1, and α 298 K = 1.23 × 10 − 5 K − 1 . Fitting current data to the Mie–Grüneisen–Debye EOS with derived θ 0 = 383.4 K yielded γ 0 = 1.81 (6) and q = 0.3. The thermoelastic parameters obtained from various approaches are consistent with one another and comparable with previous results within uncertainties. Our current study provides a complete and self-consistent dataset for the thermoelastic properties of tungsten at high P–T conditions, which is important to improve the theoretical modeling of these materials under dynamic conditions. [ABSTRACT FROM AUTHOR]

We report a framework of underground barriers against seismic waves from high-magnitude earthquakes, which consist of the deep subwavelength decorated membrane resonators (DMR's) modeled as a type of artificial soil, the meta-soil, which is buried in the host soil. The meta-soil has the same elastic properties as the host soil but with a dynamic effective mass density that mimics the functionality of the DMR's mixed with the host soil. Metallic membrane DMR's with multiple working frequencies down to 7 Hz are experimentally demonstrated. Transmission attenuation exceeding 20 dB and absorption above 98% are numerically demonstrated for the 1 Hz Rayleigh waves using about 12 rows of underground meta-soil columns. The findings obtained from the meta-soil are validated by using discrete generic tuned mass dampers buried in the soil. A scaling law similar to the mass density law for acoustic waves that relates the meta-soil mass density to the wave frequency for a given transmission attenuation has been analytically derived and numerically verified. The main mechanism for the wave attenuation is the resonant enhancement of scattering and dissipation by the resonators in the meta-soil. The findings for attenuating the 1 Hz seismic waves serve as a benchmark and design platform for the broadband seismic wave barriers due to the following findings. (1) It is a representative frequency for high magnitude earthquakes. The practical lower frequency limit is about 0.5 Hz, so the dimension and weight of the dampers for 0.5 Hz will be comparable to that for 1 Hz, while the dampers for higher frequencies will be smaller in size and lighter in weight. (2) The length of the wells will be comparable to that of the 1 Hz ones and proportionally shorter for higher frequency waves. Our findings provide a viable solution that could fill the gap between the maximum earthquake resistance capability of most modern buildings and infrastructures (∼seventh magnitude) and the need to resist the highest (∼eighth) magnitude earthquakes recorded in human history, and remedy one of the main shortcomings in the literature on the local resonators for underground seismic wave barriers, which is the gross over-estimation of the seismic wave blocking power of the barriers due to the omission or unrealistic under-estimation of the intrinsic dissipation of the elastic components of the local resonators. [ABSTRACT FROM AUTHOR]

In this paper, we derived closed form analytical solutions for the effective viscosity of the suspensions of solid spheres that take into account size effects. This result was obtained by using the solution for the effective shear modulus of particulate composites developed in the framework of the strain gradient elasticity theory. Assuming the incompressibility of the matrix and the rigid behavior of particles and using a mathematical analogy between the theories of elasticity and viscous fluids, we derived generalized Einstein's formula for effective viscosity. Then, generalized Brinkman's solution for the concentrated suspensions was derived using the differential method. The obtained solutions contain a single additional length scale parameter, which can be related to the interactions between the base liquid and solid particles in the suspensions. In the case of a large ratio between the diameter of the particles and the length scale parameter, the developed solutions were reduced to the classical solutions. However, for the small relative diameter of particles, an increase of the effective viscosity was predicted. It was shown that the developed models agree well with the known experimental data. Solutions for the fibrous suspensions were also derived and validated. [ABSTRACT FROM AUTHOR]

Solid-solution hardening (SSH), originated mainly from the point obstacles with prescribed resistance (short-range) or spherical inclusions with purely dilatational eigenstrain (long-range), is critical to materials science and technological applications. Dislocation gliding in solid-solution hardening alloys generally undergoes both short-range and long-range interactions. However, the respective contribution of each aspect remains unclear. Here, we successfully decouple the short-range lattice distortion and long-range size misfit of the solid-solution hardening effect by introducing two scaling factors (s1 and s3) and analyzing the contributions of each aspect on the solute/dislocation interaction, respectively. For scaling factor s1, the interaction energy is localized, resembling the short-range interactions without volume change. The scaling factor s3 is equivalent to a dilatation/constriction center with volume change. The interaction energy is a long-range parameter and well predicted from the pure continuum elasticity perspective. Large-scale molecular dynamics (MD) simulations reveal the unique impacts of two strengthening mechanisms on dislocations with different scaling factors. It is found that the energy landscape and size misfit effect of the solute atoms play important roles in the SSH effect. With deeply understanding the SSH effects and the rapidly increasing computational power, it may pave a practical way to apply MD simulations on complex strengthening mechanism studies. [ABSTRACT FROM AUTHOR]

In this paper, we study the elastic properties of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O using experimental and first principles techniques. Our measurements of the indentation modulus on grains with a wide range of crystallographic orientations of the entropy-stabilized oxide revealed a high degree of elastic isotropy at ambient conditions. First principles calculations predict mild elastic anisotropy for the paramagnetic structure, which decreases when the system is considered to be non-magnetic. When the antiferromagnetic state of CoO, CuO, and NiO is accounted for in the calculations, a slight increase in elastic anisotropy is observed, suggesting a coupling between magnetic ordering and the orientation dependent elastic properties. Furthermore, an examination of the local structure reveals that the isotropy is favored through local ionic distortions of Cu and Zn—due to their tendencies to form tenorite and wurtzite phases. The relationships between the elastic properties of the multicomponent oxide and those of its constituent binary oxides are reviewed. These insights open up new avenues for controlling isotropy for technological applications through tuning composition and structure in the entropy-stabilized oxide or the high-entropy compounds in general. [ABSTRACT FROM AUTHOR]

Using density functional theory combined with an evolutionary algorithm for crystal structure prediction, we study the elastic and electronic properties of various multi-principal element alloys that are based on CoCrFeNi. In total, nine quinary and one senary CoCrFeNiX (X = Ti , V, Mn, MnV, Cu, Zr, Nb, Mo, Al, Al 2) alloys are studied along with the base CoCrFeNi alloy. The aim of the current study is twofold. First, we test and confirm the ability of the presented methodology to predict the crystal structure of the multi-principal element alloys based on Co, Cr, Fe, and Ni elements. Second, we calculate and compare the elastic properties of the CoCrFeNiX alloys, as well as their electronic properties, in an attempt to establish possible correlations between them. Taking CoCrFeNi as the reference alloy, our first-principles calculations of various elastic moduli (bulk, Young, and shear moduli) show that only the bulk moduli of the alloys with Cu, Mo, or Nb (in this order) are expected to be larger. Furthermore, our comparative analysis of the CoCrFeNiX alloys containing partially filled 3 d and 4 d elements shows that the filling of the d -shell causes a general increase in all the elastic moduli. The only exception is the decreasing behavior of the bulk modulus in the case of alloys with partially filled 3 d elements. [ABSTRACT FROM AUTHOR]

Wrinkled surfaces have attracted enormous interest during the past years due to their various wrinkling patterns and impressive multifunctional properties. With the growing demand of numerous potential applications, it is desirable to uncover the formation mechanism and develop fabrication methods for tunable wrinkles, in particular, for hierarchical wrinkle that has spatially varying wavelength and amplitude. In this tutorial, we comprehensively discuss the possible mechanism of the formation of hierarchical wrinkles, including the role of elasticity gradient in film–substrate systems, the effect of boundary confinement, the sequential multistep strain-releasing method in a multilayer system, etc. The formation conditions and morphological features of various hierarchical wrinkling patterns are outlined. Lastly, representative applications of hierarchical wrinkling are briefly summarized as well. [ABSTRACT FROM AUTHOR]

Topological materials are considered as a novel quantum state of matter, which can be characterized by symmetry-protected Dirac interfacial states, and exhibit an exotic phenomenon when combined with the other phases. The topological phase in the perovskite structures is important since it can provide various heterostructure interfaces with multifunctional properties. Alpha-(α-) phase cesium-based halide perovskites CsSnX3 (X = I, Br, Cl) can be considered as a promising candidate for topological semiconductors under hydrostatic pressures. The narrow bandgap of these compounds (≤1.83 eV) has made them interesting materials for the electronic, optoelectronic, and photovoltaic applications. In the current research, we systematically carry out first-principles density functional theory (DFT) to study the effects of hydrostatic pressure on the electronic structure of CsSnX3 (X = I, Br, Cl) compounds. The topological phase of these compositions is investigated using the Fu–Kane and Wilson loop methods in order to identify the Z2 topological invariants for each structure. The topological surface states (TSSs) of the (001) plane of these compounds are investigated using the semi-infinite Green's function. These TSSs guarantee the nontrivial nature of CsSnX3 compounds under pressure. With respect to the engineering applications, three important mechanical properties of these compounds including elastic anisotropy, ductility, and hardness are also investigated. [ABSTRACT FROM AUTHOR]