نتایج جستجو برای: jones potential

تعداد نتایج: 1081667  

2009
X. Y. Lai R. X. Xu

Quark clustering could occur in cold quark matter because of the strong coupling between quarks at realistic baryon densities of compact stars. Although one may still not be able to calculate this conjectured matter from first principles, the inter-cluster interaction might be analogized to the interaction between inert molecules. Cold quark matter would then crystallize in a solid state if the...

2005
R Kojima Endo Y Fujihara M Susa

The density and molar heat capacity at constant pressure of silicon have been determined with use of molecular dynamics (MD) simulation. The interaction between silicon atoms was expressed by the Sttilinger-Weber potential and MD calculation was conducted on crystalline, liquid and amorphous states of silicon at temperatures between 100 and 3000 K. The density and heat capacity obtained are sho...

1996
Volker Bach

We estimate the accuracy of the mean eld approximation induced by the Thomas-Fermi potential for the ground state energy of atoms and molecules. Taking the Dirac exchange correction into account, we show the error to be of the form O(Z 5=3?) + D for any < 2=231 as the total nuclear charge Z becomes large. D is an electrostatic energy of the diierence density that measures the deviation of the m...

2009
Teik-Cheng Lim

The Lennard-Jones(12-6) and the Exponential-6 potential functions are commonly used in computational softwares for describing the van der Waals interaction energy. Some softwares allow switching between these two potentials under prescribed condition(s) that attempt to connect the parameter relationship between the two functions. Here we propose a technique by which the parameter relationship b...

2010
W. Lück

This article will explore the Kand L-theory of group rings and their applications to algebra, geometry and topology. The Farrell-Jones Conjecture characterizes Kand L-theory groups. It has many implications, including the Borel and Novikov Conjectures for topological rigidity. Its current status, and many of its consequences are surveyed. Mathematics Subject Classification (2000). Primary 18F25...

2003
M. Locatelli F. Schoen

We recently discovered 5 new putative globally optimum configurations for Morse clusters at ρ = 8. This report contains some algorithmic details as well as the structures determined with our method. Methodology After the success obtained in solving minimum energy conformation problems for Lennard-Jones clusters (see [LS02] and [LS03]) we recently adapted our twophase monotonic basin-hopping str...

2011
Guido Sandri

In this paper a novel philosophy of irreversible dynamics is formulated, This philosophy stems from the fact that the kinetic equations available (Boltzmann, Landau,, Bogolubov-Balescu-Lenard) are essentially exact and cannot be improved. That isv for kinetic gases (those whose behavior is characterized by that of one typical particle) these equations constitute closed, statistically complete k...

Journal: :Computer Communications 2004
Alberto Peinado

A new efficient authentication protocol providing anonymous channels in the global system for mobile communications is presented, using algorithms A3, A5 and A8. The protocol is the result of a combination between the recent GSM authentication scheme proposed by Lee, Hwang and Yang (LHY) and the anonymous channel protocol presented by Lin and Jan (LJ). The result is a protocol with all the feat...

Journal: :Computer Physics Communications 2013
David A. Bonhommeau Marie-Pierre Gaigeot

We have implemented a Monte Carlo code in reduced units providing structural and thermodynamical properties of multiply-charged Lennard-Jones droplets A N , composed of N individual particles among which n are charged particles, each one carrying a charge qi (qi can be positive or negative). The cluster has a total net charge Q =  i=1,n qi (Q > 0 or Q < 0). The interactions between particles a...

2003
D. K. Dysthe A. H. Fuchs B. Rousseau

Equilibrium molecular dynamics simulations of mixtures of n-decane with methane, ethane, and carbon dioxide and of the mixture carbon dioxide-ethane were performed using the anisotropic united atoms model for n-decane and oneand two-center Lennard-Jones models for the light components. The GreenKubo relations were used to calculate the viscosity, thermal conductivity, and interand intradiffusio...

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