نتایج جستجو برای: lennard jones 6 12 potential

تعداد نتایج: 2312303  

2005
Harald G. L. Schwefel Douglas Stone Hakan E. Tureci

Dielectric microcavities based on cylindrical and deformed cylindrical shapes have been employed as resonators for microlasers. Such systems support spiral resonances with finite momentum along the cylinder axis. For such modes the boundary conditions do not separate and simple TM and TE polarization states do not exist. We formulate a theory for the dispersion relations and polarization proper...

Journal: :The Journal of chemical physics 2013
Alex Malins Jens Eggers C Patrick Royall

Isomorphs are lines in the density-temperature plane of certain "strongly correlating" or "Roskilde simple" liquids where two-point structure and dynamics have been shown to be close to identical up to a scale transformation. Here we consider such a liquid, a Lennard-Jones glass former, and investigate the behavior along isomorphs of higher-order structural and dynamical correlations. We then c...

Journal: :International Journal of Molecular Sciences 2021

Reconstructing three-dimensional (3D) chromosomal structures based on single-cell Hi-C data is a challenging scientific problem due to the extreme sparseness of data. In this research, we used Lennard-Jones potential reconstruct both 500 kb and high-resolution 50 A chromosome was represented by string or DNA beads put into 3D cubic lattice for simulations. 2D Gaussian function impute sparse con...

2012
Yongkyung Kwon David M. Ceperley

We have performed path-integral Monte Carlo calculations to study 4He adsorption on a single graphene sheet. The 4He-substrate interaction was assumed to be a pairwise sum of the helium-carbon potentials constructed by Carlos and Cole to fit helium scattering data from a graphite surface. We employed both an anisotropic 6-12 Lennard-Jones potential and a spherical 6-12 potential. For both poten...

Journal: :Physical chemistry chemical physics : PCCP 2011
Mario Ishizaki Hideki Tanaka Kenichiro Koga

The analogue of the hydrophobic hydration is explored for Lennard-Jones solutions. The free energy of solvation and its temperature derivatives, both in the constant-pressure process and in the constant-volume process, are obtained numerically for a variety of the size and energy parameters for the solute-solvent Lennard-Jones potential. We identify in the parameter space a region in which the ...

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