期刊
QUIMICA NOVA
卷 24, 期 6, 页码 838-845出版社
SOC BRASILEIRA QUIMICA
DOI: 10.1590/S0100-40422001000600022
关键词
interaction potential; molecular-dynamics simulation; structural correlations
The Vashishta-Rahman effective interaction potential, based on the Pauling's concept of ionic radii, has been successfully employed to investigate structural and dynamical properties of different classes of material. By celebrating Pauling's birth centenary, we review the building up of the Vashishta-Rahman potential and we present molecular-dynamics simulation results for structure and dynamics of superionic materials, chalcogenide glasses and metallic oxides.
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