douka:用于材料建模的数据同化通用平台
Aoi Watanabe1, Ryuhei Sato1, Ikuya Kinefuchi2
1Department of Materials Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
The Journal of chemical physics
|September 17, 2025
概括
一个新的数据同化 (DA) 平台,douka,有效地估计未观察到的材料特性和量化不确定性. 这种方法将实验数据与用于先进材料科学研究的模拟相结合.
科学领域:
- 材料科学 材料科学 材料科学
- 计算建模 计算建模
- 数据同化数据同化
背景情况:
- 材料建模通常需要估计从实验数据中不能直接测量的物理性质.
- 准确的状态估计和不确定性量化对于理解复杂的物理过程和改进模型至关重要.
研究的目的:
- 开发和应用一个大型的,通用数据同化 (DA) 平台,名为douka,用于非线性材料模型.
- 证明平台在估计不可观察的物理性质和提供量化的不确定性方面的能力.
- 通过氧气演化反应的实验数据验证平台的性能和可扩展性.
主要方法:
- 用于材料建模的douka数据同化平台的开发.
- 将douka应用于非线性材料模型,包括氧气演变反应的实验图像.
- 在Fugaku超级计算机上进行的大规模集体数据同化,集体成员多达8192人.
主要成果:
- 杜卡平台成功估计了从观测数据中直接获得的物理性质.
- 实现了量化不确定性的状态估计,为物理过程提供了新的见解.
- 对氧气演变反应图像的成功应用允许估计氧气注射速度和气泡接触角度.
- 运行时缩放分析证实了对大集合大小的弱缩放规律的计算效率.
结论:
- 杜卡平台对于估计不可观察的物理性质和量化材料建模中的不确定性是有效的.
- 该平台可以将实验数据与数值模拟集成在一起,从而推进数据驱动的材料科学.
- 证明的可扩展性确保了超级计算基础设施上大规模应用的计算效率.
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