Related papers: Lattice dynamics of anharmonic solids from first p…
We experimentally determine the lattice dynamics of black phosphorus layered crystals through a combination of x-ray diffuse scattering and inelastic x-ray scattering, and we rationalize our experimental findings using $\textit{ab initio}$…
There has been a surge of experimental effort recently in cooling trapped fermionic atoms to quantum degeneracy. By varying an external magnetic field, interactions between atoms can be made arbitrarily strong. When the S wave scattering…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
Bosonic condensates offer exciting prospects for studies of non-equilibrium quantum dynamics. Understanding the dynamics is particularly challenging in the sub-picosecond timescales typical for room temperature luminous driven-dissipative…
A brief overview of the QCD phase diagram at nonzero temperature and density is provided. It is explained why standard lattice QCD techniques are not immediately applicable for its determination, due to the sign problem. We then discuss a…
We present a lattice Boltzmann algorithm based on an underlying free energy that allows the simulation of the dynamics of a multicomponent system with an arbitrary number of components. The thermodynamic properties, such as the chemical…
We review the recent literature on lattice simulations for few- and many-body systems. We focus on methods and results that combine the framework of effective field theory with computational lattice methods. Lattice effective field theory…
Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly…
Ultrafast electron dynamics of solids after an absorption of femtosecond laser pulse is governed by electron-electron, electron-phonon, phonon-electron, and phonon-phonon collisions. It is of importance to construct a framework for…
Ab initio calculations and a direct method are applied to derive the phonon dispersion relations and phonon density of states for the ZrC crystal. The results are in good agreement with neutron scattering data. The force constants are…
Transition to thermal equilibrium in a uniformly heated two-dimensional harmonic triangular lattice with nearest neighbor interactions is investigated. Initial conditions, typical for molecular dynamics simulations, are considered.…
The lattice regularization of QCD provides us with the most systematic way of computing non-perturbative properties of hadrons directly from the first principles of QCD. The recent rapid development of parallel computers has enabled us to…
Anisotropic displacement parameters (ADPs) are commonly used in crystallography, chemistry and related fields to describe and quantify thermal motion of atoms. Within the very recent years, these ADPs have become predictable by lattice…
We propose a new second-order accurate lattice Boltzmann scheme that solves the quasi-static equations of linear elasticity in two dimensions. In contrast to previous works, our formulation solves for a single distribution function with a…
Lattice QCD allows us to simulate QCD at non-zero temperature and/or densities. Such equilibrium thermodynamics calculations are relevant to the physics of relativistic heavy-ion collisions. I give a brief review of the field with emphasis…
This work presents a general thermodynamic approach to describe particle diffusion on a lattice, a model used to study transport processes in solids and on surfaces. By treating each lattice site as an open thermodynamic system, the effects…
In this paper, we design a series of matching boundary conditions for a two-dimensional compound honeycomb lattice, which has an explicit and simple form, high computing efficiency and good effectiveness of suppressing boundary reflections.…
A new approach to study the equation of state in finite-temperature QCD is proposed on the lattice. Unlike the conventional method in which the temporal lattice size $N_t$ is fixed, the temperature $T$ is varied by changing $N_t$ at fixed…
We report first-principles phonon frequencies and anharmonic thermodynamic properties of h.c.p. Os and Ru calculated within the quasi-harmonic approximation, including Gruneisen parameters, temperature-dependent lattice parameters, thermal…
We study the dynamics of condensation of the inclusion process on a one-dimensional periodic lattice in the thermodynamic limit, generalising recent results on finite lattices for symmetric dynamics. Our main focus is on totally asymmetric…