Article(id=1322944045227582080, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1322943296305247200, articleNumber=null, orderNo=null, doi=null, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1198598400000, receivedDateStr=2007-12-26, revisedDate=1214582400000, revisedDateStr=2008-06-28, acceptedDate=null, acceptedDateStr=null, onlineDate=1793344039494, onlineDateStr=2026-10-30, pubDate=1239724800000, pubDateStr=2009-04-15, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793344039494, onlineIssueDateStr=2026-10-30, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793344039494, creator=13701087609, updateTime=1793344039494, updator=13701087609, issue=Issue{id=1322943296305247200, tenantId=1146029695717560320, journalId=1255847867265597444, year='2009', volume='23', issue='2', pageStart='81', pageEnd='160', issueExtLink='null', onlineDate='null', pubDate='1239724800000', pubDateStr='2009-04-15', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1793343860936, creator='13701087609', updateTime=1793343860936, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext=null, issueFiles=null, downloadFileDto=null}, startPage=137, endPage=142, ext={EN=ArticleExt(id=1322944045424714369, articleId=1322944045227582080, tenantId=1146029695717560320, journalId=1255847867265597444, language=EN, title=Three-Body Interactions and Shock Compression Properties of Condensed Nitrogen, columnId=null, journalTitle=Chinese Journal of High Pressure Physics, columnName=null, runingTitle=null, highlight=null, articleAbstract=

Based on ab initio calculation of quantum-chemical theory, the repulsive potential among three nitrogen molecules (N₂)₃, as well as that between two nitrogens (N₂)₂, were calculated for a large amount of molecular directions from randomly sampling. The molecular distance and the geometry of the considered (N₂)₃ count the multi-body correlations in condensed nitrogen, and spherically averaged approximation of the orientation described the effect of high temperature. An analytic formula of the effective pair potential, which includes effects from various 3-body interactions, was proposed. It is found that three-body contribution obviously soften the average pair potential. The newly determined repulsive potential, combined with van der Waals long-range correlation, was used to predict Hugoniot curve of liquid nitrogen by the fluid-perturbation variational statistical theory. The good agreement between theoretical Hugoniot and the available experimental data indicates that the present scheme for the effective pair potential is reliable.

, authors=Yan-Yun SUN^{1, 2}, Fu-Sheng LIU¹, Ming-Jian ZHANG¹, Li-Hua XU², authorsList=Yan-Yun SUN, Fu-Sheng LIU, Ming-Jian ZHANG, Li-Hua XU, authorCompany=null, correspAuthors=Fu-Sheng LIU, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1322944045672178306, articleId=1322944045227582080, tenantId=1146029695717560320, journalId=1255847867265597444, language=CN, title=高温高密度条件下氮分子三体关联效应与冲击压缩特性, columnId=null, journalTitle=高压物理学报, columnName=, runingTitle=null, highlight=null, articleAbstract=

基于量子化学从头计算方法，计算了处于高密度条件下氮分子之间的两体排斥势和三体关联势，并采用球面平均近似求得了它们各自的高温平均势能值，得到了包括三体关联效应的等效两体势函数与分子间距的解析关系。借助分子流体微扰变分理论，并考虑van der Waals长程作用，分别采用总平均两体势和总等效两体势，计算了液氮的冲击压缩曲线。计算结果表明，在不需要考虑分子离解的压缩范围内（1~35 GPa），三体关联效应的贡献使分子间总等效两体势函数比单独两个分子间总平均作用势函数明显软化，与实验Hugoniot数据结果一致。

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孙燕云（1980—），女，博士研究生，主要从事物理力学与凝聚态物理方面研究. E-mail：sunyanyun@home.swjtu.edu.cn

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孙燕云（1980—），女，博士研究生，主要从事物理力学与凝聚态物理方面研究. E-mail：sunyanyun@home.swjtu.edu.cn

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