Theoretical Modeling of Silicate and Oxide Liquids and Solids at High Pressure and Temperature

高压高温下硅酸盐和氧化物液体和固体的理论模型

• 批准号: 9019087
• 负责人: Mark Bukowinski
• 金额: $ 13.02万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-03-15 至 1993-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9019087&HistoricalAwards=false
• 关键词: Theoretical; Modeling; Silicate; Oxide; Liquids

The PI will continue efforts to model the elastic and thermodynamic properties ofsolid and liquid silicate and oxide minerals at extreme pressure and temperature conditions. He is developing an electron gas theory of bonding that yields quantitatively accurate thermodynamic properties, and accurately predicts phase transformations in cubic minerals. He will apply this model to more complex mantyle minerals, and develop a parameterized version of potentials for geologically important iron paris.

PI将继续努力模拟弹性和 固体和液体硅酸盐和氧化物的热力学性质 矿物在极端压力和温度条件下。 他是 发展了电子气成键理论， 准确的热力学性质， 预测立方矿物的相变。他会申请 该模型适用于更复杂的地幔矿物，并开发了一种 地质上重要的潜在的参数化版本 钢铁巴黎。