2026-04-17T02:55:43Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/188392025-12-04T20:45:13Zcom_2072_1057col_2072_478822col_2072_478917

00925njm 22002777a 4500 dc Canales Gabriel, Manel author González, Luis Enrique author Padró i Cárdenas, Joan Àngel author 2011-07-07T12:53:47Z 2011-07-07T12:53:47Z 1994 Both structural and dynamical properties of 7Li at 470 and 843 K are studied by molecular dynamics simulation and the results are comapred with the available experimental data. Two effective interatomic potentials are used, i.e., a potential derived from the Ashcroft pseudopotential [Phys. Lett. 23, 48 (1966)] and a recently proposed potential deduced from the neutral pseudoatom method [J. Phys.: Condens. Matter 5, 4283 (1993)]. Although the shape of the two potential functions is very different, the majority of the properties calculated from them are very similar. The differences among the results using the two interaction models are carefully discussed. Simulació per ordinador Cristal·lografia Liti Estructura cristal·lina (Sòlids) Computer simulation Crystallography Lithium Layer structure (Solids) Computer simulation study of liquid lithium at 470 and 843 K