Geoinformatics: alphaMELTS Petrological Modeling Software

今天，地球科学家可以前所未有地在线访问收集到的岩石成分数据。这项工作旨在扩展建模工具的能力和访问权限，从而将这些数据与关于地球的假设进行比较。alphamelt软件包提供了一个灵活，强大，易于使用的界面，一套成功的模型和算法，应用经典热力学理论来理解火成岩的熔化和结晶。这笔拨款将支持下一代软件的创建，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，以及出版其教育功能以鼓励广泛采用。该奖项将资助一个熔盐实例数据库（DOME），以促进快速启动和结果的可重复性；新的固溶体模型；一系列例程，用于将alphamelt功能无缝整合到任何Fortran， c++， Matlab或Python代码中；可视化分析工具通过与MATLABTM的耦合；和更多。该奖项将使alphamelt开发人员能够向广泛的地质教学和研究社区提供重要的服务。它将资助两个“melt营”短期课程，向新用户介绍该软件并展示其功能。根据这项工作开发的所有软件都将免费发布，供社区使用，并且根据该奖项的支持将使与用户社区的动态交互成为可能，以支持和实现用户要求的功能。

Earth scientists today have unprecedented online access to collected data on rock compositions. This work aims to expand the capabilities and access to modeling tools whereby such data can be compared to hypotheses about the Earth. The alphaMELTS software package provides a flexible, powerful, easy-to-use interface to a set of successful models and algorithms that apply the theory of classical thermodynamics to understanding melting and crystallization of igneous rocks. This grant will enable the creation of the next generation of the software, interaction with users to implement requested features and support their modeling efforts, testing and demonstration of new features, optimization of the package for use in teaching, and publication of its educational features to encourage wide adoption. The award will fund a Database of MELTS Examples (DOME) to facilitate quick start-up and reproducibility of results; new solid solution models; a family of routines for seamless incorporation of alphaMELTS functionality into any Fortran, C++, Matlab or Python code; Visualization and analysis tools through coupling to MATLABTM; and more.This award will enable significant outreach by alphaMELTS developers to the broad geological instruction and research communities. It will fund two "MELTS camp" short courses to introduce new users to the software and demonstrate its capabilities. All software developed under this work will be released free of charge for use by the community and support under this award will enable dynamic interaction with the user community for support and implementation of user-requested features.