hard-sphere modelinternal energyQuasiclassical trajectory calculations of collisional energy transfer from highly vibrationally excited propane rare gas systems are reported. This work extends our hard-sphere model A. Linhananta and K. F. Lim,Phys. Chem. Chem. Phys., 2000,2, 1385 to examine the...
The experimentally determined structure factor for an aqueous dispersion of charged polystyrene spheres is analyzed in terms of a system of particles interacting through a shouldered hard sphere potential. The fit of the model system to the experimental data is sufficiently good that the fluid ...
This hard sphere model was applied to test the reliability of recent epoch-making experiment of diffusion in liquids, the measurement of D s in space for liquid Sn due to Frohberg et al.; values of D s in space are lower than those obtained on earth particularly at higher temperatures ...
The structure of, and transitions between, liquids, crystals and glasses have commonly been studied with the hard-sphere model1,2,3,4,5, in which the atoms are modelled as spheres that interact only through an infinite repulsion on contact. Suspensions o
Calculation of LNG Excess Volumes by a Modified Hard-Sphere Model Book Title Advances in Cryogenic Engineering Pages pp 339-345 Copyright 1995 DOI 10.1007/978-1-4613-9847-9_41 Print ISBN 978-1-4613-9849-3 Online ISBN 978-1-4613-9847-9 Series Title Advances in Cryogenic Engineering Series...
Depending on the chain length and whether the carbon number is even or odd, the model exhibits both a rotator phase and a more orientationally ordered solid phase in addition to the fluid phase. Our results indicate that the transition between the two solid phases is first-order with a ...
The hard sphere model distribution function has a split second peak; this splitting is a characteristic structural feature of most non-crystalline metallic alloys. The positions of the maxima in the hard sphere distribution function agree with those observed for noncrystalline Ni-P alloys when 2.42 ...
Using simulation techniques that we discussed in a previous work, we create random dense hard-sphere systems above the freezing point (i.e., along the metastable branch) and measure key quantities Chat characterize the structure for such high densities. These include certain statistics of the void...
The algorithm can be adapted to hard-sphere models. For two-dimensional hard disks, the algorithm allows us to draw exact samples at higher densities than previously possible. 展开 关键词: Computational techniques simulations Boson systems DOI: 10.1103/PhysRevE.81.016705 被引量: 9 ...
Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dy... ST Lin,PK Maiti,WA Goddard - 《Journal of Physical Chemistry B》 被引量: 128发表: 2010年 Cavities in the hard sphere crystal and ...