使用不同的机器学习模型预测NiTi高形状记忆合金中的格子参数
Tu-Ngoc Lam1,2, Jiajun Jiang3, Min-Cheng Hsu1
1Department of Materials Science and Engineering, National Yang Ming Chiao Tung University, 1001 University Road, Hsinchu 30010, Taiwan.
Materials (Basel, Switzerland)
|October 16, 2024
概括
机器学习模型准确地预测形状记忆材料中的格子参数. 线性回归和随机森林模型对高温应用有希望.
科学领域:
- 材料科学 材料科学 材料科学
- 计算材料科学科学 计算材料科学
- 机器学习应用 机器学习应用
背景情况:
- 形状记忆材料 (SMM) 在高温应用中至关重要.
- 预测SMM中单临床B19'阶段的格子参数对于它们的性能至关重要.
- 现有的格子参数预测方法可能是计算密集的或不太准确.
研究的目的:
- 评估三种机器学习模型的有效性:线性回归 (LR),随机森林 (RF) 和支持向量回归 (SVR) 在预测格子参数方面.
- 将这些模型在两个不同的数据集中的预测精度进行比较:基于ZrO2的形状记忆陶 (SMC) 和基于NiTi的高形状记忆合金 (HESMA).
- 探索机器学习模型的综合方法,以提高预测准确度.
主要方法:
- 应用线性回归 (LR),随机森林 (RF) 和支持向量回归 (SVR) 模型.
- 培训和验证使用基于ZrO2的SMC和基于NiTi的HESMA的两个不同的数据集.
- 基于对格子参数 (a_c,a_m,b_m,c_m和β_m) 的预测准确度进行模型性能比较分析.
主要成果:
- 线性回归 (LR) 在基于NiTi的HESMA中显示出预测a_c,a_m,b_m和c_m的最高准确性.
- 随机森林 (RF) 在预测基于ZrO2的SMC和基于NiTi的HESMA的β_m方面表现出色.
- 支持向量回归 (SVR) 在两个数据集中显示出预测和实际格子参数值之间的最大偏差.
结论:
- 机器学习模型,特别是LR和RF,为预测形状记忆材料中的格子参数提供了一种可行且准确的方法.
- 结合RF和LR方法可以进一步提高对马氏体相的格子参数预测的准确性.
- 这些发现支持通过精确的计算预测开发先进的形状记忆材料,用于稳定的高温应用.
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