Related papers: Ionisation Calculations using Classical Molecular …
Electron and ion energization (i.e., heating and nonthermal acceleration) is a fundamental, but poorly understood, outcome of plasma turbulence. In this work, we present new results on this topic from particle-in-cell simulations of driven…
In partially ionized plasma, where ions can be in different ionization states, each charge state can be described as a different fluid for the purpose of multi-ion collisional transport. In the case of two charge states, transport pushes…
We show that ionization and dissociation can be influenced separately in a molecule with appropriate external noise. Specifically we investigate the hydrogen molecular ion under a stochastic force quantum mechanically beyond the…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
Model of biological effects of ionizing particles, especially of protons and other ions, is proposed. The model is based on distinguishing the single-particle and collective effects of the underlying radiobiological mechanism. The…
Freezing of simple liquid metals and the relative stabilities of competing crystalline solids are investigated using thermodynamic perturbation theory, the interactions between ions being modeled by effective pair potentials derived from…
In this paper, we propose a method for numerical modeling of the nuclear matter properties within the framework of relativistic heavy-ion collisions using a holographic equation of state. Machine learning methods were applied to address the…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
Partially-ionized plasmas consist of charged and neutral particles whose mutual collisions modify magnetic reconnection compared with the fully-ionized case. The collisions alter the rate and locations of the magnetic dissipation heating…
Classical Molecular Dynamics (MD) simulations are employed as a tool to investigate structural properties of ice crystals under several temperature and pressure conditions. All ice crystal phases are analyzed by means of a computational…
I explore the thermal evolution and ionization states in gas cooling from an initially hot state in the presence of external photoionizing radiation. I compute the equilibrium and nonequilibrium cooling efficiencies, heating rates, and ion…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
Statistical description of hydrodynamic processes for ionic melts is proposed with taking into account polarization effects caused by the deformation of external ionic shells. This description is carried out by means of the Zubarev…
The ionization equation of state (IEOS) for a cloud of the dust particles in the low-pressure gas discharge under microgravity conditions is proposed. IEOS relates pairs of the parameters specific for the charged components of dusty plasma.…
We propose a model kinetic system of the hydrogen atom (two levels plus continuum) under the conditions typical for atmospheres of Type IIP supernovae in the plateau stage. Despite the simplicity of this system, it describes realistically…
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…
In moderately-coupled plasmas, a significant fraction of the internal energy resides in electric fields. As these plasmas are heated or compressed, the shifting partition of energy between particles and fields leads to surprising effects,…
Since its development, Stokesian Dynamics has been a leading approach for the dynamic simulation of suspensions of particles at arbitrary concentrations with full hydrodynamic interactions. Although originally developed for the simulation…
The study of interactions between simultaneously trapped cold ions and atoms has emerged as a new research direction in recent years. The development of ion-atom hybrid experiments has paved the way for investigating elastic, inelastic and…