Atomistic to continuum simulations of fracture and damage evolutions in oxide glass and glass-ceramic materials: a critical review
Atomistic to continuum simulations of fracture and damage evolutions in oxide glass and glass-ceramic materials: a critical review
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DOI：
10.1016/j.nocx.2022.100102
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发表时间：
2022-06
影响因子：
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通讯作者：
S. Urata;S. Hirobe;K. Oguni;Shaofan Li
中科院分区：
文献类型：
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作者：
S. Urata;S. Hirobe;K. Oguni;Shaofan Li
非晶氧化物玻璃固有的脆性导致的断裂和损坏是玻璃产品日常使用的关键问题。由于玻璃和微晶玻璃技术的最新发展进一步拓宽了其应用范围，因此安全问题变得越来越重要。如今，计算建模和仿真在玻璃质量和安全的设计和分析中不可或缺。因此，本综述概述了从原子尺度到连续尺度的最先进的断裂建模/模拟技术。除了基础理论外，还介绍了使用各种连续介质方法的典型和最新研究。本综述还涵盖了经典分子动力学 (CMD) 模拟和反应 CMD 模拟的应用示例，以研究玻璃和玻璃陶瓷的断裂和损伤演化。还引入了连接原子和连续介质方法的先进多尺度建模技术来建模非晶材料。
Fracture and damage ascribed to the intrinsic brittleness of amorphous oxide glasses are crucial problems for the daily use of glass products. Because the latest developments in glass and glass-ceramics technologies have further broadened their applications, the safety issues become increasingly important. Computational modeling and simulation are now indispensable in the design and analysis of glass quality and safety. This review, therefore, provides an overview of the state-of-the-art fracture modeling/simulation techniques ranging from atomistic scale to continuum scale. In addition to the fundamental theories, typical and recent studies using a variety of continuum methods are introduced. This review also covers the application examples of classical molecular dynamics (CMD) simulations and reactive CMD simulations to investigate the fracture and damage evolutions in glass and glass-ceramics. Advanced multiscale modeling techniques that bridge atomistic and continuum method are also introduced for modeling amorphous materials.