Related papers: Lattice model for kinetics and grain size distribu…

Proteins in photosynthetic membranes can organize into patterned arrays that span the membrane's lateral size. Attractions between proteins in different layers of a membrane stack can play a key role in this ordering, as was suggested by…

A continuum model of crystalline solid equilibrium is presented in which the underlying periodic lattice structure is taken explicitly into account. This model also allows for both point and line defects in the bulk of the lattice and at…

The molecular dynamics lattice gas method maps a molecular dynamics simulation onto a lattice gas using a coarse-graining procedure. This is a novel fundamental approach to derive the lattice Boltzmann method by taking a Boltzmann average…

Lattice constants such as unit cell edge lengths and plane angles are important parameters of the periodic structures of crystal materials. Predicting crystal lattice constants has wide applications in crystal structure prediction and…

Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…

Two-dimensional Rydberg atoms are modeled at low temperatures by means of the classical Monte Carlo method. The Coulomb repulsion of charged ions competing with the repulsive van der Waals long-range tail is modeled by a number of…

We describe an approach for empirical modeling of steel phase kinetics based on symbolic regression and genetic programming. The algorithm takes processed data gathered from dilatometer measurements and produces a system of differential…

We suggest a Hamiltonian formulation on a momentum lattice using a physically motivated regularization using the Breit-frame which links the maximal parton number to the lattice size. This scheme restricts parton momenta to positive values…

For hamiltonian lattice gauge theory, we introduce the matrix product anzats inspired from density matrix renormalization group. In this method, wavefunction of the target state is assumed to be a product of finite matrices. As a result,…

We establish links between three different models for multifragmentation: the percolation model, the lattice gas model and the statistical multifragmentation model. There are remarkable similarities between the lattice gas model and the…

The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions between the particles. Systems in a slab geometry are…

Changes in lattice structure across sub-regions of protein crystals are challenging to assess when relying on whole crystal measurements. Because of this difficulty, macromolecular structure determination from protein micro and nano…

We study the 1D kinetics of diffusion-limited coalescence and annihilation with back reactions and different kinds of particle input. By considering the changes in occupation and parity of a given interval, we derive sets of hierarchical…

We derive a mesoscopic modeling and simulation technique that is very close to the technique known as dissipative particle dynamics. The model is derived from molecular dynamics by means of a systematic coarse-graining procedure. Thus the…

A part of the theory of dislocations in crystals is revised with the aim to fit it into the framework of the nonlinear theory of plasticity initially designed for amorphous glassy materials.

Lattice structures have great potential for several application fields ranging from medical and tissue engineering to aeronautical one. Their development is further speeded up by the continuing advances in additive manufacturing…

The understanding of thermodynamic glass transition has been hindered by the lack of proper models beyond mean-field theories. Here, we propose a three-dimensional lattice glass model on a simple cubic lattice that exhibits the typical…

New lattice model for the gradient elasticity is suggested. This lattice model gives a microstructural basis for second-order strain-gradient elasticity of continuum that is described by the linear elastic constitutive relation with the…

We report a kinetic Monte Carlo modeling study of nanocrystal layer sintering. Features that are of interest for the dynamics of the layer as a whole, especially the morphology of the evolving structure, are considered. It is found that the…

Magnetic materials with tilted electron spins often exhibit conducting behavior that cannot be explained from semiclassical theories without invoking fictitious (emergent) electromagnetic fields. Quantum-mechanical models explaining such…