相关论文: Fifth-degree elastic potential for predictive stre…
Density functional theory (DFT) was employed to study the stress-strain behavior, elastic instabilities, and metallization during a solid-solid phase transformation (PT) between semiconducting Si I (cubic A4) and metallic Si II (tetragonal…
A crystal plasticity theory was developed for use in simulations of dynamic loading at high pressures and strain rates. At pressures of the order of the bulk modulus, compressions o(100%) may be induced. At strain rates o(10^9)/s or higher,…
The three-dimensional elastic-plastic deformation is considered. The catastrophe theory underlies the construction of this process model. It was shown that the variety of stable states consists on elastic states and can be depicted as a…
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…
An initial stress within a solid can arise to support external loads or from processes such as thermal expansion in inert matter or growth and remodelling in living materials. For this reason it is useful to develop a mechanical framework…
Phonons in solid materials can be understood as the Goldstone bosons of the spontaneously broken spacetime symmetries. As such their low energy dynamics are greatly constrained and can be captured by standard effective field theory (EFT)…
Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. While conceptually simple, the treatment of elastic constants…
Phase field theory for fracture is developed at large strains with an emphasis on a correct introduction of surface stresses. This is achieved by multiplying the cohesion and gradient energies by the local ratio of the crack surface areas…
We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the…
A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…
Shear stresses are the driving forces for the creation of both point and extended defects in crystals subjected to high pressures and temperatures. Recently, we observed anomalous elastic materials response in shock-compressed silicon and…
We have computed the correlated electronic structure of FeSe and its dependence on the A1g mode versus compression. Using the self-consistent density functional theory - dynamical mean field theory (DFT-DMFT) with continuous time quantum…
On the basis of the pseudopotential plane-wave(PP-PW) method and the local-density-functional theory(LDFT), this paper studies energetics, stress-strain relation, stability and ideal strength of $\beta $-SiC under various loading modes,…
Stress-strain relations for random packings of entangling chains under triaxial compression can exhibit strain stiffening and sustain stresses several orders-of-magnitude beyond typical granular materials. X-ray tomography reveals the…
Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…
The elastoplastic behavior of a two-phase stainless steel alloy is explored at the crystal scale for five levels of stress biaxiality. The crystal lattice (elastic) strains were measured with neutron diffraction using tubular samples…
Scale-free phase-field approach (PFA) at large strains and corresponding finite element method (FEM) simulations for multivariant martensitic phase transformation (PT) from cubic Si I to tetragonal Si II in a polycrystalline aggregate are…
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…
Phase transition of iron, as a prototype of martensite phase transition under dynamic loadings, exhibits huge diverges in its TP among experiments with different pressure medium and loading rates, even in the same initial samples. Great…
An analysis of the dependence of electric potential on the state of stress of a lithiated-silicon electrode is presented. Based on the Larch\'e and Cahn chemical potential for a solid solution, a thermodynamic argument is made for the…