第一性原理计算斜方辉石与单斜辉石间Ca同位素平衡分馏

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• 作者：冯崇秦秦天ShichunHUANG吴忠庆黄方
• 会议时间：2013-04-22
• 关键词：斜方辉石 ; 钙同位素 ; 分馏系数 ; 第一性原理 ; 计算方法
• 作者单位：冯崇秦(CAS Key Laboratory of Crust-Mantle Materials and Environments, School of Earth and Space Science, University of Science and Technology of China, Hefei 230026, Anhui, China;Laboratory of Seismology and Physics of Earth's Interior, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China)秦天,吴忠庆(Laboratory of Seismology and Physics of Earth's Interior, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China;Mengcheng National Geophysical Observatory, School of Earth and Space Science, University of Science and Technology of China, Hefei, Anhui, 230026, PR China)ShichunHUANG(Department of Earth and Planetary Sciences, Harvard University, 20 Oxford St., Cambridge, MA 02138, United States)黄方(CAS Key Laboratory of Crust-Mantle Materials and Environments, School of Earth and Space Science, University of Science and Technology of China, Hefei 230026, Anhui, China)
• 母体文献：中国矿物岩石地球化学学会第14届学术年会论文集
• 会议名称：中国矿物岩石地球化学学会第14届学术年会
• 会议地点：南京
• 主办单位：中国矿物岩石地球化学学会
• 语种：chi

摘要

本文利用第一性原理计算来研究高温高压下,单斜辉石和不同Ca浓度的斜方辉石之间的Ca同位素分馏系数,来考察温度和矿物化学组成对二者间Ca同位素分馏的关系。计算表明,矿物成分可以对同位素平衡分馏产生形响。如果已知OPX和CPX间的Ca同位素分馏以及opx的Ca含量,Ca同位素分馏可以做为一个新的二辉石Ca同位素温度计,可能在地幔地球化学的研究中有重要应用。