MSA Short Course: Theoretical and Computational Methods in Mineral Physics - Geophysical Applications

主办单位：Renata M. Wentzcovitch（明尼苏达大学），Lars Stixrude（伦敦大学学院）该奖项将支持美国矿物学学会的计算矿物物理“短期课程”。本课程的目标是回顾当今在理论和/或计算矿物物理中使用的重要技术，以及对推进高压矿物物理和地球物理学领域做出贡献的范例应用。即将出版的配套书籍将全面概述这一领域的现状。这个领域已经成熟，在过去15年中蓬勃发展的几种方法将继续存在。本课程和书不同于之前的课程和出版卷#42，“分子建模理论：在地球科学中的应用”在许多方面。那门课和那期的重点是地球化学和分子。这是关于地球物理学和凝聚态的。该问题中讨论的方法在化学界很流行。我们将在本期中介绍的方法和应用是在凝聚态和固态物理社区中发展起来的。该课程强调与矿物表面、界面，特别是化学反应有关的过程。这类研究的结果与环境和大气科学有关。重点将是高压，高温体的性质，如热弹性和热力学性质的单相和多相聚集体。这些研究的结果旨在了解行星内部，解释地震观测结果，并为地球动力学模拟提供基本约束。本课程中介绍的计算方法有助于建立一个与实验相媲美的研究领域：它们具有预测性。目前它们的应用正以非常快的速度增长，这一研究领域的前景是光明的。实验学家、地震学家和地球动力学家应该被告知所使用的方法和它们可能产生的结果。学生应该受到所选文章所呈现的可能性的启发。这本书可能会受到材料物理学、材料科学和模拟社区的欢迎，因为矿物物理学提出了这些其他领域并不总是面临的挑战。矿物物理学在更大的压力和温度范围内探索凝聚态系统的性质。活跃在矿物物理学领域的人的经验是无价的，应该与活跃在相关领域的研究人员交流。

MSA Short Course: Theoretical and Computational Methods in Mineral Physics:Geophysical ApplicationsOrganizers: Renata M. Wentzcovitch (U. of Minnesota), Lars Stixrude (UCL-London)The awaard will help support the 'Short Course' for the Mineralogical Society of America on computational mineral physics. The goal of this course is to review the important techniques used in theoretical and/or computational mineral physics today, along with exemplary applications that have contributed to advance the field of high pressure mineral physics and geophysics. The accompanying book to be published will be a comprehensive overview of the current state of this field. This field has matured and several approaches that have flourished within the last fifteen years are here to stay. This course and book differ from the previous course and published Vol #42, "Molecular Modeling Theory: Applications in the Geosciences" in many ways. The emphasis of that course and issue was on geochemistry and molecules. This one is on geophysics and condensed phases. The methods discussed in that issue are prevalent in the chemistry community. The methods and applications we will present in this issue were developed in the condensed matter and solid state physics community. That course emphasized processes related to minerals surfaces, interfaces, particularly chemical reactions. The outcome of that type of research is of relevance to environmental and atmospheric sciences. The focus will be high pressure, high temperature bulk properties, such as thermoelastic and thermodynamic properties in single and multiphase aggregates. The outcome of these studies is geared towards understanding planetary interiors, interpretation of seismic observations, and providing essential constraints on geodynamic simulations.The computational approaches introduced in this course have contributed to the establishment of a field of research that today rivals experiments: they are predictive. Their applications are increasing at very rapid pace now, and the future of this research field is bright. Experimentalists, seismologists, and geodynamicists should be informed of the methods used and results they can produce. Students should be inspired by the possibilities presented by the selected set of articles. The volume will likely be well received by the materials physics, materials sciences, and simulations communities as well, since mineral physics presents challenges not always faced by these other fields. Mineral physics explores properties of condensed systems in a wider range of pressures and temperatures. The experiences of those active in mineral physics are invaluable and should be communicated to researchers active in related fields.