Parallel Molecular Dynamics Stencil has been developed to execute effectively large-scale parallel molecular dynamics simulations. The Stencil is adapted to varieties of molecular dynamics simulations without special attention to parallelization techniques. As an example of large-scale simulation using this Stencil, the adiabatic elastic constants of solid argon in crystalline and amorphous sta...

Non-180° ferroelectric domains are also ferroelastic domains; their existence in polycrystalline materials is to relieve internal stresses generated during solid-solid phase transitions and minimize the elastic distortion energy. Therefore, grains with random orientations in polycrystalline ceramics are always occupied by many domains, especially in the regions close to grain boundaries. In thi...

The elastic deformation of a soft solid induced by capillary forces crucially relies on the excess stress inside the solid-liquid interface. While for a liquid-liquid interface this "surface stress" is strictly identical to the "surface free energy," the thermodynamic Shuttleworth equation implies that this is no longer the case when one of the phases is elastic. Here we develop a microscopic m...

We define two new models on the square lattice in which each allowed configuration is a superposition of a covering by "'white" dimers and one by "black" dimers. Each model maps to a solid-on-solid (SOS) model in which the "height" field is two dimensional. Measuring the stiffness of the SOS fluctuations in the rough phase provides critical exponents of the dimer models. Using this "'height" re...

Thermodynamic equilibrium in multicomponent solids subject to mechanical stresses is a complex nonlinear problem whose exact solution requires extensive computations. A few decades ago, Larché and Cahn proposed a linearized solution of the mechanochemical equilibrium problem by introducing the concept of open system elastic coefficients [Acta Metall. 21, 1051 (1973)]. Using the Ni-Al solid solu...

Rubber is composed of long stringlike polymer molecules, which are pinned together at random points by crosslinks. As the density of crosslinks is increased, the molecules get localized and the system undergoes a phase transition from a liquid to an amorphous solid state. The elastic properties of the resulting solid are very different from those of metals, and are primarily due to changes in t...

The focus of the article is on the analysis of effective elastic properties of planar Solid Oxide Fuell Cell (SOFC) devices. An ideal periodic multi-layered composite (SOFC-like) reproducing the overall properties of multi-layer SOFC devices is defined. Adopting a non-local dynamic homogenization method, explicit expressions for overall elastic moduli and inertial terms of this material are der...

S U M M A R Y We discuss analytical results for seismic radiation during rapid episodes of inelastic brittle deformation that include, in addition to the standard moment term, a damage-related term stemming from changes of elastic moduli in the source region. The radiation from the damagerelated term is associated with products of the changes of elastic moduli and the total elastic strain compo...

A solid solution can spontaneously separate into phases that self-assemble into patterns. This process can be guided via external fields to form ordered microand nanostructures. In this paper, we demonstrate that notions of interaction energies provide powerful insights into the coupling of these fields with the properties of the alloy. A phase-field model is developed that incorporates chemica...

Under the effect of surface tension, a blob of liquid adopts a spherical shape when immersed in another fluid. We demonstrate experimentally that soft, centimeter-size elastic solids can exhibit a similar behavior: when immersed into a liquid, a gel having a low elastic modulus undergoes large, reversible deformations. We analyze three fundamental types of deformations of a slender elastic soli...