Related papers: Expressions for forces and torques in molecular si…
To exclude collisions leading to the overlap of finite-sized charged particles in molecular dynamics (MD) simulations in systems like complex (dusty) plasmas, we developed a scheme to generate a pair interaction force functionally depending…
Analytical expressions for the axial and transverse acoustic radiation forces as well as the radiation torque per length are derived for a rigid elliptical cylinder placed arbitrarily in the field of in plane progressive, quasi-standing or…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
Probabilities to find a chosen number of electrons in flexible domains of space are calculated for highly correlated wave functions. Quantum mechanics can produce higher probabilities for chemically relevant arrangements of electrons in…
In this thesis, multipole expansions of mass, momentum and stress density will be made for a body in Newtonian mechanics. Using these definitions; momentum, angular momentum, center of mass, force and torque are defined for $N$…
-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…
The systematic errors due to the practical implementation of the Contact Dynamics method for simulation of dense granular media are examined. It is shown that, using the usual iterative solver to simulate a chain of rigid particles,…
Complex (dusty) plasmas allow experimental studies of various physical processes occurring in classical liquids and solids by directly observing individual microparticles. A major problem is that the interaction between microparticles is…
We discuss the force and torque acting on spherical particles in an ensemble in the presence of a uniform AC electric field. We show that for a torque causing particle rotation to appear the particle must be absorptive. Our proof includes…
Soft materials such as rubber and hydrogels are commonly used in industry for their excellent hyperelastic behaviour. There are various types of constitutive models for soft materials, and phenomenological models are very popular for finite…
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…
The mechanical action of various kinds of waves has been recognized for several centuries. The first tide of scientific interest in wave-induced forces and torques emerged at the turn of the 20th century, with the development of wave…
Several noncovariant formulations of the electromagnetic self-force of extended charged bodies, as have been developed in the context of classical models of charged particles, are compared. The mathematical equivalence of the various…
The purpose of this work is to use active particles to study the effect of facilitation on supercooled liquids. To this end we investigate the behavior of a model supercooled liquid doped with intermittently active and intermittently slowed…
The particle contact model is important for powder simulations. Although several contact models have been proposed, their validity has not yet been well established. Therefore, we perform molecular dynamics (MD) simulations to clarify the…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
The static as well as the dynamic behaviour of granular material are determined by dynamic {\it and} static friction. There are well known methods to include static friction in molecular dynamics simulations using scarcely understood…
Biological functions in each animal cell depend on coordinated operations of a wide variety of molecular motors. Some of the these motors transport cargo to their respective destinations whereas some others are mobile workshops which…
Perhaps the most powerful method for deriving the Newtonian gravitational interaction between two masses is the multipole expansion. Once inner multipoles are calculated for a particular shape this shape can be rotated, translated, and even…
We present a new molecular-dynamics algorithm for integrating the equations of motion for a system of particles interacting with mixed continuous/impulsive forces. This method, which we call Impulsive Verlet, is constructed using operator…