An approach to the coupling-parameter expansion in the liquid state theory of simple fluids is presented by combining the ideas of thermodynamic perturbation theory and integral equation theories. This hybrid scheme avoids the problems of the latter in the two phase region. A method to compute the perturbation series to any arbitrary order is developed and applied to square well fluids. Apart from the Helmholtz free energy, the method also gives the radial distribution function and the direct correlation function of the perturbed system. The theory is applied for square well fluids of variable ranges and compared with simulation data. While the convergence of perturbation series and the overall performance of the theory is good, improvements are needed for potentials with shorter ranges. Possible directions for further developments in the coupling-parameter expansion are indicated.
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Phys Rev E
July 2022
Joint Institute for High Temperatures, Izhorskaya 13 Bldg 2, Moscow 125412, Russia and Moscow Institute of Physics and Technology, Institutskiy Pereulok 9, Dolgoprudny, Moscow Region, 141701, Russia.
In this work we derive a correct expression for the one-component plasma (OCP) energy via the angular-averaged Ewald potential (AAEP). Unlike Yakub and Ronchi [J. Low Temp.
View Article and Find Full Text PDFMaterials (Basel)
July 2022
Advanced Research Center for Nanolithography (ARCNL), Science Park 106, 1098 XG Amsterdam, The Netherlands.
Laser irradiation of metals is widely used in research and applications. In this work, we study how the material geometry affects electron-phonon coupling in nano-sized gold samples: an ultrathin layer, nano-rod, and two types of gold nanoparticles (cubic and octahedral). We use the combined tight-binding molecular dynamics Boltzmann collision integral method implemented within XTANT-3 code to evaluate the coupling parameter in irradiation targets at high electronic temperatures (up to ~20,000 K).
View Article and Find Full Text PDFA combination of ultrafast emission and transmission spectroscopy is presented that provides a model-independent temperature measurement and tracking of the expansion dynamics for a dense, strongly coupled plasma. For femtosecond laser breakdown of hydrogen gas at 10 bar, we observe a 30,000 K two-component plasma for hundreds of picoseconds where both electrons and protons have a strong coupling parameter value of $\Gamma \sim{0.5}$Γ∼0.
View Article and Find Full Text PDFPhys Rev E
April 2017
Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana, Slovenia.
We address the problem of analyzing the radius of convergence of perturbative expansion of nonequilibrium steady states of Lindblad-driven spin chains. A simple formal approach is developed for systematically computing the perturbative expansion of small driven systems. We consider the paradigmatic model of an open XXZ spin-1/2 chain with boundary-supported ultralocal Lindblad dissipators and treat two different perturbative cases: (i) expansion in the system-bath coupling parameter and (ii) expansion in the driving (bias) parameter.
View Article and Find Full Text PDFJ Phys Condens Matter
October 2016
Department of Chemistry, Stony Brook University, Stony Brook, NY 11794, USA.
The solvation energetics associated with the transformation of a solute molecule at infinite dilution in water from an initial state A to a final state B is reconsidered. The two solute states have different potentials energies of interaction, [Formula: see text] and [Formula: see text], with the solvent environment. Throughout the A [Formula: see text] B transformation of the solute, the solvation system is described by a Hamiltonian [Formula: see text] that changes linearly with the coupling parameter ξ.
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