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A microscopic model for thermal excitation of vibrational ground state of a molecule interacting with a condensed medium is developed. The master equation for evolution of occupancies of the vibrational levels is derived. The rate constant…

Statistical Mechanics · Physics 2011-03-04 V. I. Teslenko , D. Y. Iatsenko

We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…

Plasma Physics · Physics 2009-10-30 W. Ebeling , B. Militzer

{\em Ab initio} techniques based on density functional theory in the projector-augmented-wave implementation are used to calculate the free energy and a range of other thermodynamic properties of liquid iron at high pressures and…

Materials Science · Physics 2009-11-07 D. Alfe` , G. D. Price , M. J. Gillan

A method is presented for inferring the deuterium fuel ion temperature from neutron counts measured with fast liquid scintillators in conditions where the ion velocity distribution is Maxwellian. Local neutron count rates at each…

The Statistical Multifragmentation Model is modified to incorporate the Helmholtz free energies calculated in the finite temperature Thomas-Fermi approximation using Skyrme effective interactions. In this formulation, the density of the…

Nuclear Theory · Physics 2009-12-31 S. R. Souza , B. V. Carlson , R. Donangelo , W. G. Lynch , A. W. Steiner , M. B. Tsang

The two-point correlation function of energy levels for free motion on the modular domain, both with periodic and Dirichlet boundary conditions, are explicitly computed using a generalization of the Hardy-Littlewood method. It is shown that…

chao-dyn · Physics 2016-08-15 E. Bogomolny , F. Leyvraz , C. Schmit

The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…

Computational Physics · Physics 2018-01-22 S. Rudinsky , A. S. Sanz , R. Gauvin

We perform all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of oxygen. Our simulations cover a wide density-temperature range of…

Plasma Physics · Physics 2016-01-22 K. P. Driver , F. Soubiran , Shuai Zhang , B. Militzer

The new statistical approach for calculation of radiation processes with heavy multielectron ions in plasma is developed. The method consists in consideration of atomic structure as a condensed medium, characterized by the spectrum of…

The partition function, $U$, the number of available states in an atom or molecules, is crucial for understanding the physical state of any astrophysical system in thermodynamic equilibrium. There are surprisingly few {\em useful}…

Instrumentation and Methods for Astrophysics · Physics 2022-07-26 P. Alimohamadi , G. J. Ferland

In this paper we examine the behavior in temperature of the free energy on quantum systems in an arbitrary number of dimensions. We define from the free energy a function $C$ of the coupling constants and the temperature, which in the…

Condensed Matter · Physics 2009-10-22 A. H. Castro Neto , Eduardo Fradkin

We have developed a Monte Carlo simulation for ion transport in hot background gases, which is an alternative way of solving the corresponding Boltzmann equation that determines the distribution function of ions. We consider the limit of…

Plasma Physics · Physics 2012-05-04 Zoran Ristivojevic , Zoran Lj. Petrović

Simple application of the Einstein model combined with the elastic description of solid state is developed. The frequency of quantum oscillators has been assumed as volume dependent and, furthermore, elastic energy terms of static character…

Statistical Mechanics · Physics 2013-04-09 Tadeusz Balcerzak , Karol Szałowski , Michal Jaščur

We consider the deconvolution of the thermal and the turbulent profiles for a pair of ions with different atomic weights under the condition that the lines are formed in an absorbing medium with fluctuating density and velocity fields. Our…

Astrophysics · Physics 2007-05-23 Sergei A. Levshakov , Wilhelm W. Kegel

Comparing proposed quantities to analyze charged particle fluctuations in heavy ion experiments we find the dispersion of the charges in a central rapidity box as best suited. Various energies and different nuclear sizes were considered in…

High Energy Physics - Phenomenology · Physics 2007-05-23 Fritz W. Bopp , Johannes Ranft

A low pressure discharge sustained in molecular hydrogen with help of the electron cyclotron resonance heating at a frequency of 2.45 GHz is simulated using a fully electromagnetic implicit charge- and energy-conserving…

The interplay of screw dislocations with carbon atoms is investigated in tungsten at high temperature using in situ straining experiments in a transmission electron microscope (TEM) and through ab initio calculations. When the temperature…

Materials Science · Physics 2021-11-24 Guillaume Hachet , Daniel Caillard , Lisa Ventelon , Emmanuel Clouet

Electrons densities in different locations of our galaxy are obtained in pulsar astronomy by dividing the dispersion measure (DM) by the distance of the pulsar to Earth. The properties of the interstellar plasma are related to its heating.…

High Energy Astrophysical Phenomena · Physics 2023-12-05 Y. Ben-Aryeh

We prove approach to thermal equilibrium for the fully Hamiltonian dynamics of a dynamical Lorentz gas, by which we mean an ensemble of particles moving through a $d$-dimensional array of fixed soft scatterers that each possess an internal…

Statistical Mechanics · Physics 2015-05-20 S. De Bievre , P. E. Parris

We study the thermophysical properties of dense helium plasmas by using quantum molecular dynamics and orbital-free molecular dynamics simulations, where densities are considered from 400 to 800 g/cm$^{3}$ and temperatures up to 800 eV.…

Materials Science · Physics 2011-06-27 Cong Wang , Xian-Tu He , Ping Zhang