Related papers: Minimum energy paths for dislocation nucleation in…
We investigate the T(3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations bilinear in the elastic distortion tensor and dislocation density tensor for the force and pseudomoment…
Dividing the lattice into blocks with singlet ground state and knowing the exact low energy spectrum of the blocks and of dimers (or trimers) of blocks, it is possible to approach the lowest part of the lattice spectrum through an excitonic…
The intrinsic excitation energy of fission fragments is dynamically evaluated in terms of the time dependent pairing equations. These equations are corroborated with two conditions. One of them fixes the number of particles and the another…
We investigate the energy relaxation process produced by thermal baths at zero temperature acting on the boundary atoms of chains of classical anharmonic oscillators. Time-dependent perturbation theory allows us to obtain an explicit…
The paper establishes exact lower bound on the effective elastic energy of two-dimensional, three-material composite subjected to the homogeneous, anisotropic stress. It is assumed that the materials are mixed with given volume fractions…
In systems characterized by a rough potential energy landscape, local energetic minima and saddles define a network of metastable states whose topology strongly influences the dynamics. Changes in temperature, causing the merging and…
The elastic energy functional of a system of discrete dislocation lines is well known from dislocation theory. In this paper we demonstrate how the discrete functional can be used to systematically derive approximations which express the…
We use first-principles spin-polarized energy density method (EDM) to calculate the atomic energies in isolated $a_0[100](010)$ edge, $a_0[100](011)$ edge, $\frac{a_0}{2}[\bar1\bar11](1\bar10)$ edge and $\frac{a_0}{2}[111](1\bar10)$…
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…
In materials that undergo martensitic phase transformation, macroscopic loading often leads to the creation and/or rearrangement of elastic domains. This paper considers an example {involving} a single-crystal slab made from two martensite…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
We develop a continuum dislocation description of twist and stretch moire superlattices in 2D material bilayers. The continuum formulation is based on the topological constraints introduced by the periodic dislocation network associated…
A novel discrete model (D-model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of…
Plenty of saddles on a multidimensional potential energy surface(PES) of two-dimensional microclusters, where atoms are interacting via Morse potential, are numerically located. The reaction paths emanating from the two types of the local…
We show that the numerical results contained in a recent paper are affected by a non optimal implementation of the methods which have been used to obtain these results. A careful analysis done using the Rayleigh-Ritz method provides a…
We investigate the dynamical pathways of a geometric phase transition in a two-dimensional active lattice gas undergoing motility-induced phase separation. The transition is between metastable morphologies of the liquid cluster: a…
Dislocations are the primary carriers of plasticity in metallic material. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe…
Shortest path algorithms have played a key role in the past century, paving the way for modern day GPS systems to find optimal routes along static systems in fractions of a second. One application of these algorithms includes optimizing the…
The least action principle is exploited as a simulation tool to find the optimal dynamic path for spatially extended systems driven by a small noise. Applications are presented for thermally activated switching of a spatially-extended…
The properties of a hinged floating elastic sheet of finite length under compression are considered. Numerical continuation is used to compute spatially localized buckled states with many spatially localized folds. Both symmetric and…