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Strain fluctuations and elastic constants
It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either theExpand
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Study of an F center in molten KCl
It is shown that a discretized version of Feynman’s path integral provides a convenient tool for the numerical investigation of the properties of an electron solvated in molten KCl. The bindingExpand
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Statistical ensembles and molecular dynamics studies of anisotropic solids
We present a general discussion of the isoenthalpic–isostress molecular dynamics theories of Andersen and Parrinello–Rahman. The Parrinello–Rahman theory is shown to be applicable to the case ofExpand
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Acoustic scattering by transversely isotropic cylinders
We study the scattering of an acoustic wave incident on a transversely isotropic cylinder immersed in a fluid. Scalar potentials are expanded in series of normal modes. This expansion changes inExpand
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Liquid Structure and Self‐Diffusion
The method of molecular dynamics has been used to study the structure of a liquid and its relation with the process of self‐diffusion.The particles around a given particle are separated into shellsExpand
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Lattice gauge theory in the microcanonical ensemble
The microcanonical-ensemble formulation of lattice gauge theory proposed recently is examined in detail. Expectation values in this new ensemble are determined by solving a large set of coupledExpand
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Ionic motion in. cap alpha. -AgI
A molecular-dynamics study of silver diffusion in superionic conductor ..cap alpha..-AgI is performed. Interionic potentials are constructed using Pauling's ideas of ionic radii. The diffusionExpand
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Nonadditivity of ab initio pair potentials for molecular dynamics of multivalent transition metal ions in water
Ab initio molecular orbital pair potentials for the interaction of Fe2+ and Fe3+ ions with H2O are reported. Molecular dynamics calculations of the static structure of the solvation shell of Fe2+ andExpand
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Abstract The velocity correlation function for a classical system of particles interacting with a two-particle potential is expanded in powers of t . The coefficients in this expansion are averagesExpand
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The conditions under which the so-called intermediate scattering function occurring in the theory of slow neutron scattering and in the theory of the Mossbauer effect can be written in the formExpand
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