Upgrading of the Computational and Theoretical Facilities in Geochemistry at Yale

耶鲁大学地球化学计算和理论设施升级

• 批准号: 9005404
• 负责人: Antonio Lasaga
• 金额: $ 2.72万
• 依托单位: Yale University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-08-01 至 1992-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9005404&HistoricalAwards=false
• 关键词: Upgrading; Computational; Theoretical; Facilities; Geochemistry

This award provides one-half the funds required to purchase equipment for upgrading the computational facility for geochemistry research in the Department of Geology and Geophysics at Yale University. The University is committed to providing the remaining funds needed. The upgrade will consist in adding computer memory, disk space, and improving the graphics capability of the existing system. The upgraded system will be used primarily in research projects such as the quantum mechanical study of silicates, molecular dynamics of glasses and melts, Monte Carlo simulations of crystal growth and dissolution, molecular studies of heterogeneous kinetics (including adsorption and mineral dissolution), and modeling of fluid flow and chemical reactions in sedimentary basins.

该奖项提供了购买设备所需资金的一半，用于升级耶鲁大学地质和地球物理系地球化学研究的计算设施。大学承诺提供所需的剩余资金。升级将包括增加计算机内存，磁盘空间，并提高现有系统的图形能力。升级后的系统将主要用于研究项目，如硅酸盐的量子力学研究、玻璃和熔体的分子动力学、晶体生长和溶解的蒙特卡罗模拟、非均相动力学（包括吸附和矿物溶解）的分子研究、以及沉积盆地流体流动和化学反应的建模。