相关论文: A simple environment-dependent overlap potential a…

Transformation elasticity, by analogy with transformation acoustics and optics, converts material domains without altering wave properties, thereby enabling cloaking and related effects. By noting the similarity between transformation…

Most theories and applications of elasticity rely on an energy function that depends on the strains from which the stresses can be derived. This is the traditional setting of Green elasticity, also known as hyper-elasticity. However, in its…

Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by…

We present a time-dependent Ginzburg-Landau model of nonlinear elasticity in solid materials. We assume that the elastic energy density is a periodic function of the shear and tetragonal strains owing to the underlying lattice structure.…

We propose a simple route to evaluate the static structure, in terms of average coordination, of completely disordered solids with spherical constituents, from ca. 55% volume fraction up to random close packing, in the absence of structural…

In this paper, we investigate the initial value problem for symmetric hyperbolic systems on globally hyperbolic Lorentzian manifolds with potentials that are both nonlocal in time and space. When the potential is retarded and uniformly…

Athermal (i.e. zero-temperature) under-constrained systems are typically floppy, but they can be rigidified by the application of external strain. Following our recently developed analytical theory for the athermal limit, here and in the…

A characteristic property of many soft matter systems is an ultrasoft effective interaction between their structural units. This softness often leads to complex behavior. In particular, ultrasoft systems under pressure demonstrate…

Within the framework of the mode-coupling theory of super-cooled liquids, we investigate new phenomena in colloidal systems on approach to their glass transitions. When the inter-particle potential contains an attractive part, besides the…

Despite being governed by the familiar laws of Hookean mechanics, elastic shells patterned with an internal structure (i.e. metashells) exhibit a wealth of unusual mechanical properties with no counterparts in unstructured materials. Here I…

We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…

Nonlinear elastic models are widely used to describe the elastic response of crystalline solids, for example, the well-known Cauchy-Born model. While the Cauchy-Born model only depends on the strain, effects of higher order strain gradients…

The accurate and efficient computation of the deformation of crystalline solids requires the coupling of atomistic models near lattice defects such as cracks and dislocations with coarse-grained models away from the defects. Quasicontinuum…

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…

We present a thermodynamic theory of plane coherent solid-solid interfaces in multicomponent systems subject to nonhydrostatic mechanical stresses. The interstitial and substitutional chemical components are treated separately using…

We investigate the effect of orbital overlap on optical matrix elements in empirical tight-binding models. Empirical tight-binding models assume an orthogonal basis of (atomiclike) states and a diagonal coordinate operator which neglects…

We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…

We study theoretically ultracold collisions in quasi one-dimensional optical traps for bosonic and fermionic reactive molecules in the presence of a periodic potential along the trap axis. Elastic, reactive, and umklapp processes due to…

We study a system describing the compressible barotropic fluids interacting with (visco) elastic solid shell/plate. In particular, the elastic structure is part of the moving boundary of the fluid, and the Navier-slip type boundary…

The paper outlines novel variational technique for finding microstructures of optimal multimaterial composites, bounds of composites properties, and multimaterial optimal designs. The translation method that is used for the exact…