Related papers: A Mean Atom Trajectory Model for Monatomic Liquids
The prediction of product translational, vibrational, and rotational energy distributions for arbitrary initial conditions for reactive atom+diatom collisions is of considerable practical interest in atmospheric re-entry. Due to the large…
Autonomous locomotion is a ubiquitous phenomenon in biology and in physics of active systems at microscopic scale. This includes prokaryotic, eukaryotic cells (crawling and swimming) and artificial swimmers. An outstanding feature is the…
We propose a new model suitable for a nonequilibrium molecular dynamics (MD) simulation of electrical conductors. The model consists of classical electrons and atoms. The atoms compose a lattice vibration system. The electrons are scattered…
We present a unified framework to simulate heat and mass transport in systems of particles. The proposed framework is based on kinematic mean field theory and uses a phenomenological master equation to compute effective transport rates…
We propose a four-component molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse-graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are…
In a semiclassical view superconductivity is attributed exclusively to the advance of atoms' outer s electrons through the nuclei of neighbor atoms in a solid. The necessary progression of holes in the opposite direction has the electric…
Simulating percolation and critical phenomena of labelled species inside films composed of single-component linear homogeneous macromolecules using molecular Monte Carlo method in 3 dimensions, we study dependence of these conducting…
Anomalous transport of a particle subjected to non-Ohmic damping of the power $\delta$ in a tilted periodic potential is investigated via Monte Carlo simulation of generalized Langevin equation. It is found that the system exhibits two…
Fluidity, the ability of liquids to flow, is the key property distinguishing liquids from solids. This fluidity is set by the mobile transit atoms moving from one quasi-equilibrium point to the next. The nature of this transit motion is…
Numerical solutions of the Enskog-Vlasov (EV) equation are used to determine the velocity distribution function of atoms spontaneously evaporating into near-vacuum conditions. It is found that an accurate approximation is provided by a…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
We report a new type of fluid-based driven dissipative oscillator system consisting of a lattice of millimetric fluid droplets bouncing on a vertically vibrating liquid bath and bound within an annular ring. We characterize the system…
Pd43Ni10Cu27P0 has been investigated in its equilibrium liquid state with incoherent, inelastic neutron scattering. As compared to simple liquids, liquid PdNiCuP is characterized by a dense packing with a packing fraction above 0.5. The…
Within the framework of V-T theory of monatomic liquid dynamics, an exact equation is derived for a general equilibrium time correlation function. The purely vibrational contribution to such a function expresses the system's motion in one…
We study the link between relaxation to the equilibrium and anomalous superdiffusive motion in a classical N-body hamiltonian system with long-range interaction showing a second-order phase-transition in the canonical ensemble. Anomalous…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
A model system for classical fluids out of equilibrium, referred to as DPD solid (Dissipative Particles Dynamics), is studied by analytical and simulation methods. The time evolution of a DPD particle is described by a fluctuating heat…
We introduce an approach to describe quantum-coherent evolution of a system of cold atoms in an optical lattice triggered by a change in superlattice potential. Using a time-dependent mean field description, we map the problem to a strong…
We consider a liquid droplet which is propelled solely by internal flow. In a simple model, this flow is generated by an autonomous actuator, which moves on a prescribed trajectory inside the droplet. In a biological system, the device…
The Atlantic Meridional Overturning Circulation (AMOC) distributes heat and salt into the Northern Hemisphere via a warm surface current toward the subpolar North Atlantic, where water sinks and returns southwards as a deep cold current.…