Upgrade of Computer Facilities for Yale University Geochemistry Group

9727134拉萨加这笔拨款为耶鲁大学地球化学研究小组升级计算机设施的费用提供部分支持。新的硬件采购将包括2个带有64位RISC架构的DEC alpha工作站、提供额外访问这些新工作站的x终端、PC、一台Macintosh兼容工作站、一台笔记本电脑、EXABYTE磁带驱动器和用于图形密集型应用的高性能显卡。耶鲁大学的地球化学小组处于地球化学模型开发的前沿。硅铝酸盐溶解动力学和水对硅酸盐熔体结晶动力学的影响研究利用从头算量子力学模型和蒙特卡罗方法来模拟反应，并且计算量很大。未来的研究将致力于热液系统中质量输运的模拟。将开发代码来模拟流动流体和矿物颗粒之间的同位素交换、骨架硅酸盐的生长和溶解以及交代反应。由于计算机工业的迅速淘汰，现有的计算设备现在已经过时了，而新工作站的能力将立即使这一群体及其学生受益。＊＊＊

9727134 Lasaga This grant provides partial support of the costs of upgrading computer facilities for the geochemistry research group at Yale University. New hardware purchases will include 2 DEC alpha workstations with 64 bit RISC architectures, X-terminals to provide additional access to these new workstations, PC's, a Macintosh compatible workstation, a laptop computer, EXABYTE tape drives and a high performance video card for graphics-intensive applications. The geochemistry group at Yale is at the forefront of geochemical model development. Research on dissolution kinetics of aluminosilicates and the effects of water on the kinetics of silicate melt crystallization utilize ab initio quantum mechanical models and Monte Carlo methods to model reactions and are highly computationally intensive. Future research will be aimed at modeling mass transport in hydrothermal systems. Code will be developed to model, isotopic exchange between moving fluids and mineral grains, growth and dissolution of framework silicates and metasomatic reactions. Existing computational facilities are now out-of-date given the rapidity of obsolescence in the computer industry and the capabilities of new workstations will be immediately beneficial to this group and their students. ***