Collaborative Research: Advancing Thermodynamic Modeling of Open Magmatic Systems - Translithosphere Magma Chamber Simulator

岩浆(熔岩)通常形成于地球表面(地幔)以下75至150公里处，并在35至50公里处(地壳)停止并冷却，或喷发形成火山。了解岩浆是如何发生物理和化学变化的，可以为一系列重要的社会主题提供信息，从火山可能如何、何时和在哪里喷发，到重要经济资源的形成。这些变化由首席调查员开发的名为岩浆室模拟器的计算机工具记录在案。这笔赠款为岩浆室模拟器的进步提供的资金将增强地质学家解决一系列问题的能力，例如地球内部岩浆在哪里形成和冷却，岩浆如何从夏威夷式的成分演化到黄石式的成分，以及岩浆气的含量可能是什么，这可能控制可能发生的爆炸性，具有明显的社会影响。这些信息为火山学家更好地预测火山喷发和评估影响数百万人健康、安全和生计的火山灾害提供了数据。对岩浆室模拟器的更改包括增加岩浆如何变化的额外数学方法，更新和验证复杂的计算机代码，以及对特定的火山岩组运行计算机模型以解决典型问题。岩浆室模拟器是一个免费的计算机模拟工具，任何人都可以使用，因此为初学者向经验丰富的专业人员提供了能力，以了解岩浆从地球内部移动到地表时的变化。资金将为学生和职业生涯早期的专业人士提供机会，让他们了解计算机建模及其对促进对一系列地质主题的科学理解所带来的好处。培训活动，从初级到高级，将在线和面对面提供。资金还将支持为将进入地球科学工作大军的不同学生提供高级教育培训，这是在未来几十年解决人类面临的许多危险和资源挑战的关键。这笔资金将通过向公开可用的工具岩浆室模拟器(MCS)添加重要的Keystone功能，支持岩石界为跨岩石圈岩浆系统模拟开放系统岩浆演化的能力取得实质性进展。这个名为跨岩石圈岩浆室模拟器(TL-MCS)的新工具利用了MCS的能力，MCS是一个热力学模型，它量化了开放系统的演化，其中岩浆、围岩和补给/停采/夹带储集层交换物质和能量。MCS模拟了同时发生的地壳混染、岩浆补给、堆积/碎屑夹带和分离结晶。TL-MCS的五个新功能包括：(I)流体相从围岩到岩浆的传输；(Ii)围岩熔融过程中的放射性同位素不平衡；(Iii)残留岩浆的平衡结晶；(Iv)早期形成的晶体和残留岩浆的反应；以及(V)跨岩石圈模拟功能(即多压、多压-等压模拟能力)。新的后处理能力将增强和加快对TL-MCS模型结果的解释；Jupyter笔记本电脑(使用Python)将包括(I)用户友好的统计技术，以便选择“最佳匹配”模型，以及(Ii)用于高效数据存档和用户“按需”绘图的新算法。广泛分发和使用TL-MCS是首要任务。资金将支持分享TL-MCS和培训用户的战略，包括对MCS网站的持续更新、在线和面对面研讨会以及以英语和西班牙语提供的在线教程。由于TL-MCS具有复杂的功能，高级用户的额外培训将侧重于有效和高效的建模策略，并包括发布有效建模实践的路线图。TL-MCS在世界各地火成岩地区的应用将使不同的研究人员能够探索这些系统的开放系统跨岩石圈演化。资助不同的学生和博士后研究人员将支持他们的科学和专业发展，并使他们作为训练有素的计算机模型师加入地球科学工作大军。机会将包括设计和执行研究项目和教程，撰写建议，在研讨会和教程开发中发挥领导作用，口头陈述，同行评议的出版物，以及发展专业网络。最后，更多参与开放系统过程研究的机会将通过一个在线的全球开放系统岩浆过程工作组获得，该工作组将由受资助的科学家发起和管理。该项目由地球科学局和高级网络基础设施办公室共同资助，以支持地球科学中的AI/ML和开放科学活动。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

Magma (molten rock) typically forms between 75 and 150 km below Earth’s surface (in the Earth’s mantle) and either stalls and cools in the upper 35-50 km (the Earth’s crust) or erupts to form a volcano. Understanding how magmas change physically and chemically informs an array of societally important topics from how, when, and where a volcano might erupt to the formation of economically important resources. These changes are documented by a computer tool called the Magma Chamber Simulator that was developed by the Principal Investigators. Funding provided by this grant for advancements to the Magma Chamber Simulator will enhance geologists’ ability to address a range of questions, such as where magmas form and cool in the Earth’s interior, how magmas evolve from Hawaiian-like to Yellowstone-like compositions, and what magma gas content might be, which potentially controls the explosivity that might occur, with obvious societal implications. This information provides data for volcanologists to better predict volcanic eruptions and assess the volcanic hazards that impact the health, safety, and livelihood of millions of people. Changes to the Magma Chamber Simulator involve adding additional mathematical approaches to how magmas change, updating and verifying a complex computer code, and running computer models on particular groups of volcanic rocks to address typical questions. The Magma Chamber Simulator is a free computer modeling tool that is available to anyone and thus provides capability for beginning students to experienced professionals to learn about how magmas change as they move from inside the Earth to the surface. Funding will provide opportunities for students and early career professionals to learn about computer modeling and the benefits it provides for advancing scientific understanding of a range of geologic topics. Training activities, from beginning to advanced level, will be provided both online and in person. Funding will also support advanced educational training for diverse students who will enter the earth science work force, which in the coming decades is key to addressing solutions to many of the hazard and resource challenges humans face. This funding will support substantial advances the petrologic community’s capability to model open system magma evolution for translithosphere magma systems by adding significant keystone functionality to the publicly available tool, the Magma Chamber Simulator (MCS). The new tool, called Translithosphere Magma Chamber Simulator (TL-MCS) utilizes the capabilities of MCS, a thermodynamic model that quantifies the evolution of an open system where magma, wallrock, and recharge/stoping/entrainment reservoirs exchange matter and energy. MCS models simultaneous crustal contamination, magma recharge, cumulate/mush entrainment, and fractional crystallization. Five new capabilities to TL-MCS include: (i) transport of a fluid phase from wallrock to magma; (ii) radiogenic isotopic disequilibrium during wallrock melting; (iii) equilibrium crystallization of resident magma; (iv) reaction of earlier formed crystals and resident magma; and (v) translithosphere modeling functionality (i.e., polybaric, polybaric-isobaric modeling capability). New post-processing capabilities will enhance and accelerate interpretation of results of TL-MCS models; Jupyter notebooks (using Python) will include (i) user-friendly statistical techniques that inform the choice of ‘best fit’ models, and (ii) new algorithms for efficient data archiving and user ‘on-demand’ plotting. Widespread distribution and use of TL-MCS are top priorities. Funding will support strategies for sharing TL-MCS and training users that include continuous updates to the MCS website, online and in person workshops, and online tutorials offered in English and Spanish. Because TL-MCS has complex functionality, additional training for advanced users will focus on effective and efficient modeling strategies and include publication of a roadmap of effective modeling practices. Application of TL-MCS to igneous localities worldwide will enable diverse researchers to explore the open system translithosphere evolution of these systems. Funding for diverse students and post-doctoral researchers will support their scientific and professional development and position them to join the earth science workforce as highly trained computer modelers. Opportunities will include designing and executing research projects and tutorials, writing proposals, leadership roles in workshops and tutorial development, oral presentations, peer-reviewed publications, and development of professional networks. Finally, increased opportunity for engagement in open system processes research will be available via an online world-wide open system magma processes working group that the funded scientists will initiate and manage.This project is co-funded by a collaboration between the Directorate for Geosciences and Office of Advanced Cyberinfrastructure to support AI/ML and open science activities in the geosciences.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.