相关论文: A first-principles method to calculate fourth-orde…
The measurement of the Avogadro constant by counting Si atoms is based on the assumption that Si balls of about 94 mm diameter have a perfect crystal structure up to the outermost atom layers. This not the case because of the surface…
In this paper, we performed a detailed theoretical study of structural, elastic and electronic properties of two germanides LuAuGe and ScAuGe by means of first-principles calculations using the pseudopotential plane-wave method within the…
Liquid metals at extreme pressures and temperatures are widely interested in the high-pressure community. Based on density functional theory molecular dynamics, we conduct first-principles investigations on the equation of state (EOS) and…
Randomly textured polycrystalline materials of constituents with highly anisotropic nature of grains can be considered globally isotropic. In order to determine the isotropic properties, like elasticity or conductivity, we propose a theory…
We present the foundations of a projective geometric theory of elasticity, as well as outline a few possible application possibilities. We give the description of the Cauchy stress and infinitesimal strain tensors compatible with coordinate…
We introduce a computational method and a user-friendly code with a terminal-based graphical user interface (GUI), named ElATools, developed to analyze mechanical and anisotropic elastic properties. ElATools enables facile analysis of the…
We aimed to use finite element method to simulate the unique behaviors of liquid crystal elastomer, such as semi-soft elasticity, stripe domain instabilities etc. We started from an energy functional with the 2D Bladon-Warner-Terentjev…
We present a method for the precise determination of the full elasticity tensor from a single crystal diffraction experiment using monochromatic X-rays. For the two benchmark systems calcite and magnesium oxide we show that the measurement…
Uniaxial elastomers are characterized by five elastic constants. If their elastic modulus C_5 describing the energy of shear strains in planes containing the anisotropy axis vanishes, they are said to be soft. In spatial dimensions d less…
Uranium dioxide which is used as a fuel in light water nuclear reactors, is continually exposed to radiation damage originated from the collision of high-energy particles. Accumulation of the resulting defects gives rise to the evolution in…
In complex crystals close to melting or at finite temperatures, different types of defects are ubiquitous and their role becomes relevant in the mechanical response of these solids. Conventional elasticity theory fails to provide a…
Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation of state around the equilibrium cell volume. This is a…
Material strength is a classical concept with renewed importance in fracture mechanics, particularly in crack nucleation in brittle solids. We formulate material strength in finite elasticity and examine its geometric, constitutive, and…
Explicit expressions for inverse of Young's modulus E, inverse of shear modulus G, and Poisson's ratio for cubic media are considered. All these characteristics of elastic media depend on three components of the compliance tensor S, and on…
We propose an approach to measure surface elastic constants of soft solids. Generally, this requires one to probe interfacial mechanics at around the elastocapillary length scale, which is typically microscopic. Deformations of microscopic…
The structural, electronic, and elastic properties of three mixed transition metal carbonitrides TiNxC1-x, ZrNxC1-x, and HfNxC1-x (0<x<1) with the rock-salt structure were calculated at ambient and elevated up to 50 GPa hydrostatic…
This paper derives a posteriori error estimators for the nonlinear first-order optimality conditions associated with the Frank-Oseen elastic free-energy model of nematic and cholesteric liquid crystals, where the required unit-length…
The variational discrete element method developed in [28] for dynamic elasto-plastic computations is adapted to compute the deformation of elastic Cosserat materials. In addition to cellwise displacement degrees of freedom (dofs), cellwise…
Variational principle for a solid in classical mechanics is formulated in terms of a thin elastic 4D bar strain in Minkowsky events space of special relativity. It is shown, that the sum of elastic 4-energies of weak twist and bending under…
The elasticity tensor that describes the elastic response of a material to external forces is among the most fundamental properties of materials. The availability of full elasticity tensors for inorganic crystalline compounds, however, is…