Related papers: Investigating elastic constants across diverse str…
We report on the determination of high-pressure elasticity from thermal diffuse x-ray scattering of magnesium oxide at pressures up to 28 GPa. We find that the full elasticity tensor as a function of pressure can be extracted from x-ray…
An efficient and reliable stress computation algorithm is presented, which is based on implicit integration of the local evolution equations of multiplicative finite-strain plasticity/viscoplasticity. The algorithm is illustrated by an…
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…
We demonstrate the continuous tuning of the electronic structure of atomically thin MoS2 on flexible substrates by applying a uniaxial tensile strain. A redshift at a rate of ~70 meV per percent applied strain for direct gap transitions,…
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic…
A recently proposed node-based uniform strain virtual element method (NVEM) is here extended to small strain elastoplastic solids. In the proposed method, the strain is averaged at the nodes from the strain of surrounding linearly precise…
The influence on macroscopic work hardening of small, spherical, elastic particles dispersed within a matrix is studied using an isotropic strain gradient plasticity framework. An analytical solution, based on a recently developed yield…
Elastomers are viscoelastic materials and their properties significantly depend on the loading rate. The actual stress experienced by these materials is the sum of equilibrium and dissipative (inelastic) terms. At very low loading rates we…
The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix ($C_{ij}$) obtained from any ab-initio density-functional theory (DFT) code. The current version of…
The aim of this work is to efficiently and robustly solve the statistical inverse problem related to the identification of the elastic properties at both macroscopic and mesoscopic scales of heterogeneous anisotropic materials with a…
A systematic study of the sensitivities of simulation input on the computed stress distributions in two-phase microstructures is presented. The study supports a related investigation of the initiation and propagation of yielding in duplex…
Auxetic materials, or negative-Poisson's-ratio materials, are important technologically and fascinating theoretically. When loaded by external stresses, their internal strains are governed by correlated motion of internal structural degrees…
This work considers the application of the virtual element method to plane hyperelasticity problems with a novel approach to the selection of stabilization parameters. The method is applied to a range of numerical examples and well known…
Recent progress in approaches to determine the elastic constants of solids starting from the microscopic particle interactions is reviewed. On the theoretical side, density functional theory approaches are discussed and compared to more…
We derive a continuum-level plasticity model for polycrystalline materials in the high energy density regime, based on a single dislocation density and single mobility mechanism, with an evolution model for the dislocation density. The…
The oxygen stoichiometry is an essential key to tune functional properties of advanced oxide materials and thus has motivated numerous studies of the oxygen off-stoichiometry diagram, with the aim to determine and control structural,…
We investigate the elastic properties of selected zincblende III-V semiconductors. Using hybrid functional density functional theory we calculate the second and third order elastic constants, and first and second-order internal strain…
Strain engineering is a powerful tool for tuning the electronic, magnetic, and topological properties of two-dimensional (2D) materials and thin films - particularly at high values of strain (>3%) where many electronic, magnetic, and…
A special aspect of parameter identification in finite-strain elasto-plasticity is considered. Namely, we analyze the impact of the measurement errors on the resulting set of material parameters. In order to define the sensitivity of…
Strain plays a critical role in the properties of materials. In silicon and silicon-germanium, strain provides a mechanism for control of both carrier mobility and band offsets. In materials integra-tion, strain is typically tuned through…