基于飞灰的高性能混凝土的分子模拟框架的多尺度理论建模
1Department of Civil Engineering, Priyadarshini College of Engineering, Nagpur, Maharashtra, 440019, India. vikrant.vairagade@pcenagpur.edu.in.
Scientific reports
|December 30, 2025
概括
这项研究引入了飞灰混凝土的新型多尺度框架,增强了材料性质预测. 综合方法为优化混凝土设计提供了卓越的预测准确性.
科学领域:
- 材料科学 材料科学 材料科学
- 计算建模 计算建模
- 土木工程 土木工程是指土木工程.
背景情况:
- 目前的飞灰混凝土模型由于过度简化而缺乏准确性.
- 现有的模型未能捕捉到关键的材料特性,如异质性和缺陷进化.
研究的目的:
- 为飞灰混凝土开发一个全面的多尺度理论框架.
- 为了提高混凝土性能的预测准确度,并实现最佳设计.
主要方法:
- 混合多相微结构描述器建模 (HMMDM) 用于3D数字双胞胎.
- 量子校正的机器学习原子间潜力映射 (QML IPM) 为准确的力场.
- 拓反应通路网络建模 (TRPNM) 用于动力学预测.
- 使用分子模拟 (FDEAMS) 进行裂纹传播的碎片缺陷进化分析.
- 动态多尺度模拟与反优化 (DMSCF) 的合,用于桥接尺度.
主要成果:
- HMMDM提高了15%的孔隙性预测.
- QML IPM减少了RMS力误差,并提高了22%的反应性预测.
- 在时间强度预测中,TRPNM实现了<7%的误差.
- FDEAMS 增加了 20% 的拉伸性故障区域预测.
- 在实时度更新中,DMSCF实现了<4%的过程滞后.
结论:
- 集成的多尺度框架为飞灰混凝土提供了前所未有的预测准确性.
- 这种方法使飞灰混凝土的设计具有最佳的性能和性能.
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