Related papers: Constant-force approach to discontinuous potential…

There are many physical processes that have inherent discontinuities in their mathematical formulations. This paper is motivated by the specific case of collisions between two rigid or deformable bodies and the intrinsic nature of that…

The optimal conversion of a continuous inter-particle potential to a discrete equivalent is considered here. Existing and novel algorithms are evaluated to determine the best technique for creating accurate discrete forms using the minimum…

The structural properties of fluids whose molecules interact via potentials with a hard core plus two piece-wise constant sections of different widths and heights are presented. These follow from the more general development previously…

The competition of dipole-dipole and contact interactions leads to exciting new physics in dipolar gases, well-illustrated by the recent observation of quantum droplets and rotons in dipolar condensates. We show that the combination of the…

We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…

Force-based multiphysics coupling methods have become popular since they provide a simple and efficient coupling mechanism, avoiding the difficulties in formulating and implementing a consistent coupling energy. They are also the only known…

Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…

Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…

In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…

We consider the problem of existence of entropy weak solutions to scalar balance laws with a dissipative source term. The flux function may be discontinuous with respect both to the space variable x and the unknown quantity u. The problem…

A one-dimensional (1D) Bose system with dipole-dipole repulsion is studied at zero temperature by means of a Quantum Monte Carlo method. It is shown that in the limit of small linear density the bosonic system of dipole moments acquires…

Because the constant extension ensemble of single chain molecule is not always equivalent with constant force ensemble, a model of double-stranded conformations, as in RNA molecules and $\beta$-sheets in proteins, with fixed extension…

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto…

We study the possibility of obtaining a repulsive vacuum-induced force for a magnetic point particle near a surface. Considering the toy model of a particle with an electric-dipole transition and a large magnetic spin, we analyze the…

We analyze the effects of a long-ranged step-step interaction on thermal roughening within the framework of a solid-on-solid model of a crystal surface by means of Monte Carlo simulation. A repulsive step-step interaction is modeled by…

We simulate model systems of charged spherical particles in their counterion solution and measure the thermodynamic pressure and the pair distribution function from which we derive effective potentials of mean force. For a system with only…

We consider a dynamical approach to the cosmological constant. There is a scalar field with a potential whose minimum occurs at a generic, but negative, value for the vacuum energy, and it has a non-standard kinetic term whose coefficient…

Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…

Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only on the valence states. This is inherently…

We report a new theory of dissipative forces acting between colliding viscoelastic bodies. The impact velocity is assumed not to be large, to avoid plastic deformations and fragmentation at the impact. The bodies may be of an arbitrary…