材料科学从基于机理的方法到数据驱动的方法

Stefan Hiemer, Stefano Zapperi
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引用次数: 0

摘要

理论材料科学中一种历史悠久的方法是围绕寻找基本机制,这种机制应包含所研究现象的关键特征。近年来,在机器学习的推动下,数据驱动方法在各个科学领域得到了蓬勃发展。在此,我们以材料力学为背景,简要介绍了基于机制的方法和数据驱动方法的优缺点。我们讨论了有关位错动力学、玻璃中的原子塑性的最新文献,重点是通过人工智能从经验中发现调控方程。最后,我们强调了主要的开放性问题,并提出了这些领域可能的改进和未来的发展方向。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
From mechanism-based to data-driven approaches in materials science

A time-honored approach in theoretical materials science revolves around the search for basic mechanisms that should incorporate key feature of the phenomenon under investigation. Recent years have witnessed an explosion across areas of science of a data-driven approach fueled by recent advances in machine learning. Here we provide a brief perspective on the strengths and weaknesses of mechanism based and data-driven approaches in the context of the mechanics of materials. We discuss recent literature on dislocation dynamics, atomistic plasticity in glasses focusing on the empirical discovery of governing equations through artificial intelligence. We conclude highlighting the main open issues and suggesting possible improvements and future trajectories in the fields.

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期刊介绍: Journal of Materials Science: Materials Theory publishes all areas of theoretical materials science and related computational methods. The scope covers mechanical, physical and chemical problems in metals and alloys, ceramics, polymers, functional and biological materials at all scales and addresses the structure, synthesis and properties of materials. Proposing novel theoretical concepts, models, and/or mathematical and computational formalisms to advance state-of-the-art technology is critical for submission to the Journal of Materials Science: Materials Theory. The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analysis as new ways to predict, design, and conceptualize materials behavior.
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