%0 Journal Article
%T COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li, K?F, Cl SYSTEM BY MOLECULAR DYNAMICS METHOD<br>Li,K|F,Cl互易系熔盐溶液的分子动力学计算机模拟研究
%A SHAO Dun
%A XU Hua
%A CHEN Nian-Yi
%A <br>邵俊
%A 徐桦
%A 陈念贻
%J 金属学报
%D 1990
%I 
%X The structure and properties of molten salt solution of Li, K | F, Clsystem have been investigated by computerized simulation of molecular dynamicsmethod. The partial RDF, the partial molar energy of mixing and the diffusioncoefficient of Li~+, K~+, F~- and Cl~- have been calculated. The results of calculationare in agreement with the experimental values. The regularities of the distributionof ions and holes are discussed based on the results of computerized simulation.
%K alkali halide molten salt
%K molecular dynamics
%K computerized simulation<br>碱卤化物熔盐
%K 分子动力学
%K 计算机模拟
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=AB188D3B70B071C57EB64E395D864ECE&jid=B061E1135F1CBDEE96CD96C109FEAD65&aid=D2FFB79D5130EBA3CC9023308F0F82A8&yid=8D39DA2CB9F38FD0&vid=96C778EE049EE47D&iid=CA4FD0336C81A37A&sid=35FC3610259C2B32&eid=CD775AE9DDBD7B53&journal_id=0412-1961&journal_name=金属学报&referenced_num=1&reference_num=1