Related papers: A first-principles method to calculate fourth-orde…
In this work the linear elastic properties of materials containing spherical voids are calculated and compared using finite element simulations. The focus is on homogeneous solid materials with spherical, empty voids of equal size. The…
This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…
Liquid crystal elastomers are special cross-linked polymer materials combining the large elastic deformability of elastomers with the orientational orders of liquid crystals. This model exhibits markedly different phenomena than the liquid…
The stress-strain anisotropy -including both elastic properties and dislocation distributions- of crystalline systems can be studied using a dislocation model proposed by Ung\'ar and Borb\'ely. However this model requires fundamental…
A general Monte Carlo simulation method of calculating the elastic constants of polydisperse hard-sphere colloidal crystal was developed. The elastic constants of a size polydisperse hard sphere fcc crystal is calculated. The pressure and…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
Blackman's diagram of two dimensionless ratios of elastic constants is frequently used to correlate elastic properties of cubic crystals with interatomic bondings. Every's diagram of a different set of two dimensionless variables was used…
Synchrotron Laue microdiffraction and Digital Image Correlation measurements were coupled to track the elastic strain field (or stress field) and the total strain field near a general grain boundary in a bent bicrystal. A 316L stainless…
Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other…
The new structures, Cmc2$_1$-Si$_2$P$_2$X (X=S, Se, Te, and Po), are predicted, and their mechanical, electronic and optical properties are investigated with the density functional theory, by first principles calculations. The elastic…
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…
We study the elasticity of perfect 4He at zero-temperature using the diffusion Monte Carlo method and a realistic semi-empirical pairwise potential to describe the He-He interactions. Specifically, we calculate the value of the elastic…
The elastic constants of solid \textit{hcp} $^4$He are investigated in molar volumes ranging from about melting up to approximately 14 MPa. Properties of interest are determined by averages formed from computed values in configurations…
A force-based optimization method is proposed to apply the first and second kind of Piola-Kirchhoff stresses in molecular statics simulation. This method is important for finite deformation problems in which the atomistic behavior can be…
We investigate non-linear elastic deformations in the phase field crystal model and derived amplitude equations formulations. Two sources of non-linearity are found, one of them based on geometric non-linearity expressed through a finite…
Analytical method for the second-order homogenization of two-phase composites within Mindlin-Toupin strain gradient elasticity theory is proposed. Direct approach and self-consistent approximation are used to reduce the homogenization…
Experimental phonon imaging in diamond anvils cell is demonstrated to be an adequate tool to extract the complete set of elastic constants of single-crystalline silicon up to the ZB$\rightarrow \beta-$Sn transition (10 GPa). Contrary to…
We report on a laser generated and detected surface acoustic wave method for evaluating the elastic constants of micro-crystals composing polycrystalline steel. The method is based on the measurement of surface wave velocities in many…
Anisotropies of Young's modulus E, the shear modulus G, and Poisson's ratio of all 2D symmetry systems are studied. Simple necessary and sufficient conditions on their elastic compliances are derived to identify if any of these crystals are…
In this letter, we study the higher-order effect on the third-order elastic constants (TOECs) of diamond using longitudinal stress-uniaxial strain (LSUS) approach based on density functional theory. The result shows that the higher-order…