Related papers: Lattice model for kinetics and grain size distribu…
Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to…
In this work we illustrate our novel quantitative simulation approach for dense amorphous polymer systems, as discussed in our previous work[Kulkarni et al., A Novel Approach for Lattice Simulations of Polymer Chains in Dense Amorphous…
What characterises a solid is its way to respond to external stresses. Ordered solids, such crystals, display an elastic regime followed by a plastic one, both well understood microscopically in terms of lattice distortion and dislocations.…
A simple lattice model, recently introduced as a generalization of the Wako--Sait\^o model of protein folding, is used to investigate the properties of widely studied molecules under external forces. The equilibrium properties of the model…
The kinetics of dissolution of an amorphous solid is studied using a simple model of a glass that captures with reasonable accuracy the dynamic heterogeneities associated with the relaxation of an amorphous material at low temperatures. The…
We report comprehensive Monte-Carlo studies of the melting of skyrmion lattices in systems of small, medium, and large sizes with the number of skyrmions ranging from $10^{3}$ to over $10^{5}$. Large systems exhibit hysteresis similar to…
We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…
Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…
A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…
We provide an analytical description of the dynamics of an atom in an optical lattice using the method of perturbative adiabatic expansion. A precise understanding of the lattice-atom interaction is essential to taking full advantage of the…
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles…
A lattice-based model for continuum percolation is applied to the case of randomly located, partially aligned sticks with unequal lengths in 2D which are allowed to cross each other. Results are obtained for the critical number of sticks…
Fractal patterns are observed in computational mechanics of elastic-plastic transitions in two models of linear elastic/perfectly-plastic random heterogeneous materials: (1) a composite made of locally isotropic grains with weak random…
Size, morphology and distributions of pores in organic matters of shale matrix are discussed based on high resolution images from experiments in the literature. 150 nanoscale structures of the organic matters are then reconstructed by…
It is shown that, by imposing reparametrization invariance, one may derive a variety of stochastic equations describing the dynamics of surface growth and identify the physical processes responsible for the various terms. This approach…
Kinetics of polymorphous "gamma"-"alfa" transformation in Fe is studied numerically within a model taking into account both lattice and magnetic degrees of freedom, based on first-principle calculations of the total energy for different…
Discrete models of dislocations in cubic crystal lattices having one or two atoms per unit cell are proposed. These models have the standard linear anisotropic elasticity as their continuum limit and their main ingredients are the elastic…
Using methods of kinetic theory and liquid state theory we propose a description of the non-equilibrium behavior of molecular fluids which takes into account their microscopic structure and thermodynamic properties. The present work…
We present a simple off-lattice hard-disc model that exhibits glassy dynamics. The inherent structures are enumerated exactly, transitions between metabasins are well understood, and the particle configurations that act to facilitate…
The lattice dynamics in CuGeO$_3$ has been analyzed by the combination of inelastic neutron scattering studies and lattice dynamical model calculations. We report an almost complete set of dispersion curves along the three orthorhombic…