Modeling of the Elasticity and Structure of Silicate Liquids

硅酸盐液体的弹性和结构建模

• 批准号: 8707283
• 负责人: Mark Bukowinski
• 金额: $ 9.2万
• 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: 1987
• 资助国家: 美国
• 起止时间: 1987-07-01 至 1989-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8707283&HistoricalAwards=false
• 关键词: Modeling; Elasticity; Structure; Silicate; Liquids

Recent research has demonstrated that pressure affects the structure of liquids in ways that have significant geological consequences. Perhaps the most significant result is that certain silicate liquids may become denser than the surrounding mantle solids at pressures below 30 GPa. The PI will investigate the effect of pressure on the structurfe and compressibility of SiO2 liquids and glasses, and other simple silicate liquids. The proposed research includes Monte Carlo simulations of liquids with covalent and other many body pair potentials, and more efficient liquid models based on coupled integral equations. By using many body pair-potentials of several kinds will show how pressure affects loca coordination, compressibility, thermal expansivity, specific heat, etc. Emphasis will be on the identification of structural mechanisms, and their relationship to elasticity and other thermodynamic parameters; quantitatiave results may also be obtained in some cases.

最近的研究表明，压力会影响 液体结构的方式，具有重大的地质意义 后果 也许最重要的结果是， 某些硅酸盐液体的密度可能比周围的 压力低于30 GPa的地幔固体。 私家侦探会调查 研究了压力对煤的结构和压缩性的影响， SiO2液体和玻璃，以及其他简单的硅酸盐液体。 拟议的研究包括蒙特卡罗模拟， 具有共价势和其他多体对势的液体，以及 更有效的液体模型的基础上耦合积分方程。 通过使用许多体对势， 压力如何影响局部协调，压缩性，热 膨胀率，比热等。重点将放在 识别结构机制及其关系 弹性和其他热力学参数;定量 在某些情况下也可以获得结果。