Related papers: Event-driven Molecular Dynamics of Soft Particles
From the mesoscopic point of view, a new concept of soft matching for mass points is proposed. Then a soft Lasso's approach to learn the soft dynamical equation for the physical mechanical relationship is proposed, too. Furthermore, a…
Numerical simulations of a dissipative hard sphere gas reveal a dependence of the cooling rate on correlation of the particle velocities due to inelastic collisions. We propose a coefficient which characterizes the velocity correlations in…
Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelerating ab-initio MD simulation but are not fast enough for…
Using the molecular dynamics method, we examine a discrete deterministic model for the motion of spherical particles in three-dimensional space. The model takes into account multiparticle collisions in arbitrary forms. Using fractional…
We consider the common problem setting of an elastic sphere impacting on a flexible beam. In contrast to previous studies, we analyze the modal energy distribution induced by the impact, having in mind the particular application of impact…
We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of atoms we show that the interactions between the emerging…
Molecular dynamics (MD) simulations are used in biochemistry, physics, and other fields to study the motions, thermodynamic properties, and the interactions between molecules. Computational limitations and the complexity of these problems,…
We introduce the model of inelastic hard spheres with random restitution coefficient $\alpha$, in order to account for the fact that, in a vertically shaken granular system interacting elastically with the vibrating boundary, the energy…
We consider a one-dimensional "gas" of inelastically colliding particles where kinetic energy is dissipated by the excitation of vibrational degrees of freedom. In our model the coefficient of restitution is a stochastic quantity whose…
The article proposes an algorithm to model the collision between arbitrary ellipsoids in viscous fluid. It is composed of several steps, each improving upon the standard procedure employed in the current literature. First, an efficient…
We derive the gas dynamics equations considering changes of velocity distribution function on the scale of a molecule free path. We define the molecule velocity distribution function in a specific form so that only molecule velocities after…
We develop data-driven models to predict the dynamics of a freely settling sphere in a quiescent Newtonian fluid using experimentally obtained trajectories. Particle tracking velocimetry was used to obtain a comprehensive dataset of…
Using Stokesian dynamics simulations, we examine the flow of a monodisperse, neutrally buoyant, homogeneous suspension of non-Brownian solid spheres in simple shear, starting from a large number of independent hard-sphere distributions and…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
Newtonian dynamics is derived from prior information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the state of a particle is defined by…
Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…
In recent years, soft robotics simulators have evolved to offer various functionalities, including the simulation of different material types (e.g., elastic, hyper-elastic) and actuation methods (e.g., pneumatic, cable-driven, servomotor).…
Molecular-dynamics algorithms for systems of particles interacting through discrete or "hard" potentials are fundamentally different to the methods for continuous or "soft" potential systems. Although many software packages have been…
Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as…