نتایج جستجو برای: jones energy parameter

تعداد نتایج: 873619  

2003
M. Locatelli F. Schoen

We recently discovered 5 new putative globally optimum configurations for Morse clusters at ρ = 8. This report contains the main algorithmic details as well as the structure 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 ...

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...

Journal: :Journal of Statistical Mechanics: Theory and Experiment 2016

2012
JinHyeok Cha Shohei Chiashi Junichiro Shiomi Shigeo Maruyama

Using classical molecular dynamics simulations, we have studied thermal boundary conductance (TBC) between a single-walled carbon nanotube (SWNT) and surrounding Lennard-Jones (LJ) fluids. With an aim to identify a general model that explains the TBC for various surrounding materials, TBC was calculated for three different surrounding LJ fluids, hydrogen, nitrogen, and argon in supercritical ph...

2000
Tatsuto Kimura Shigeo Maruyama S. MARUYAMA

Heterogeneous nucleation of a liquid droplet on a solid surface was simulated with the molecular dynamics method. Argon vapor was represented by 5,760 Lennard-Jones molecules and the solid surface was represented by one layer of 4,464 harmonic molecules with the constant temperature heat bath model using the phantom molecules. The potential parameter between a solid molecule and a vapor molecul...

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...

2003
Luca Molinari

Abstract: The block-tridiagonal matrix structure is a common feature in Hamiltonians of models of transport. By allowing for a complex Bloch parameter in the boundary conditions, the Hamiltonian matrix and its transfer matrix are related by a spectral duality. As a consequence, I derive the distribution of the exponents of the transfer matrix in terms of the spectral density of the non-Hermitia...

2015
K. Rajagopal J. Johnson

--------------------------------------------------------ABSTRACT----------------------------------------------------------Values of viscosity(η) have been determined for four amino acids (glycine, L-alanine, L-valine and L-leucine) in aqueous xylose solutions ( 0.05, 0.10, 0.15, 0.20 ) M at T = (298.15,303.15, 308.15, 313.15) K. Viscosity Bcoefficients of Jones-Dole equation, Bcoefficients tran...

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