Related papers: Spatially Resolved Thermodynamic Integration: An E…
This paper develops an arbitrary-positioned buffer for the smoothed particle hydrodynamics (SPH) method, whose generality and high efficiency are achieved through two techniques. First, with the local coordinate system established at each…
We study a numerical method to compute probability density functions of solutions of stochastic differential equations. The method is sometimes called the numerical path integration method and has been shown to be fast and accurate in…
Using a hydrogen molecule as a test system we demonstrate how to compute the effective potential according to the formalism of the new density functional theory (DFT), in which the basic variable is the set of spherically averaged densities…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
We present the smoothed-particle hydrodynamics implementation SPHGal, which combines some recently proposed improvements in GADGET. This includes a pressure-entropy formulation with a Wendland kernel, a higher order estimate of velocity…
Simulations in stellar astrophysics involve the coupling of hydrodynamics and nuclear reactions under a wide variety of conditions, from simmering convective flows to explosive nucleosynthesis. Numerical techniques such as operator…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…
We present a multiscale hybrid particle-field scheme for the simulation of relaxation and diffusion behavior of soft condensed matter systems. It combines particle-based Brownian dynamics and field-based local dynamics in an adaptive sense…
A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…
We describe and demonstrate a method for increasing the resolution locally in a Smoothed Particle Hydrodynamic (SPH) simulation, by splitting particles. We show that in simulations of self-gravitating collapse (of the sort which are…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
We present results from a series of cosmological SPH (smoothed particle hydrodynamics) simulations coupled with the P3M (Particle-Particle-Particle-Mesh) solver for the gravitational force. The simulations are designed to predict the…
We consider the integrable family of symmetric boundary-driven interacting particle systems that arise from the non-compact XXX Heisenberg model in one dimension with open boundaries. In contrast to the well-known symmetric exclusion…
Our focus is on simulating the dynamics of non-interacting particles including the effects of an external potential, which, under certain assumptions, can be formally described by the Dean-Kawasaki equation. The Dean-Kawasaki equation can…
The chemical potential of a component in a solution is defined as the free energy change as the amount of the component changes. Computing this fundamental thermodynamic property from atomistic simulations is notoriously difficult, because…
Dealing with boundary conditions in Smoothed Particle Hydrodynamics (SPH) poses significant difficulties, indeed being one of the SPHERIC Grand Challenges. In particular, wall boundary conditions have been pivotal in SPH model development…
We present an implementation of smoothed particle hydrodynamics (SPH) with improved accuracy for simulations of galaxies and the large-scale structure. In particular, we combine, implement, modify and test a vast majority of SPH improvement…
A unified Smoothed Particle Hydrodynamics (SPH) framework is proposed to simulate interaction dynamics involving thin shells modeled by a reduced-dimensional, single-layer particle discretization, as opposed to full-dimensional SPH solids.…
We present a fully Lagrangian conservation form of the general relativistic hydrodynamic equations for perfect fluids with artificial viscosity in a given arbitrary background spacetime. This conservation formulation is achieved by choosing…
We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or temperature. Specifically, we find isotropic,convex-repulsive…