Geoinformatics: alphaMELTS computational thermodynamics software

地理信息学：alphaMELTS 计算热力学软件

• 批准号: 1550934
• 负责人: Paul Asimow
• 金额: $ 52.78万
• 依托单位: California Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-05-15 至 2020-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1550934&HistoricalAwards=false
• 关键词: Geoinformatics; alphaMELTS; computational; thermodynamics; software

This geoinformatics award will support the continued development of the alphaMELTS software package to provide a flexible, powerful, easy-to-use interface and related tools. The three-year project will employ an early-career, female scientist to create the next software generation, to interact with users to implement requested features and support their modeling efforts, to test and demonstrate the new features, to optimize the package for use in teaching, and to publicize its educational features to encourage wide adoption. All software developed by this project will be released free of charge for use by the scientific community.Projects supported by this new software package include models and algorithms for computational thermodynamics in petrology, geochemistry, and geodynamics. It enables earth scientists to execute forward models of complex petrogenetic scenarios with internal thermodynamic consistency and integrated volatile and trace element calculations. The project will explore the opening of an alphaMELTS XSEDE gateway to enable access to national high-performance computing resources and integration of computational thermodynamics into geodynamic codes on an unprecedented scale.

这份地理信息学合同将支持alphamelt软件包的持续发展，以提供一个灵活、强大、易于使用的界面和相关工具。这个为期三年的项目将雇用一名早期职业女性科学家来创建下一代软件，与用户交互以实现所要求的功能并支持他们的建模工作，测试和演示新功能，优化用于教学的软件包，并宣传其教育功能以鼓励广泛采用。本项目开发的所有软件将免费发布，供科学界使用。这个新软件包支持的项目包括岩石学、地球化学和地球动力学中的计算热力学模型和算法。它使地球科学家能够执行具有内部热力学一致性和综合挥发性和微量元素计算的复杂岩石成因情景的正演模型。该项目将探索开放alphamelt XSEDE网关，以实现访问国家高性能计算资源，并以前所未有的规模将计算热力学集成到地球动力学代码中。