Ordering and diffusion in liquid magnesium antimonide (Mg3Sb2) from hypernetted-chain theory and molecular dynamics simulation
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DOI: 10.1007/s11581-018-2757-2
Abstract: The static structure and ionic transport in molten Mg3Sb2 was investigated by means of the hypernetted-chain theory of liquids (HNC) and the molecular dynamics simulation (MD) using a semi-empirical pairwise potential together with the liquid-state… read more here.
Keywords: molecular dynamics; hypernetted chain; magnesium; chain theory ... See more keywords