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Accelerated alloy discovery using synthetic data generation and data mining

delete2023-04-01
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OA
AI
R
Rangasayee Kannan *
P
Peeyush Nandwana
DOI:10.1016/j.scriptamat.2023.115335delete
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摘要

摘要

En 中文
The search for new alloys with improved properties is never ending with infinite combinations and amounts of alloying elements in the alloy. Advancements in machine learning have made navigating this enormous search space feasible. However, training the machine learning models and tuning their hyper-parameters to make accurate predictions can be time-consuming and often require high-performance computing resources. Furthermore, the quality of the predictions depend on the availability of sufficient training data. Here, we present a generic approach to accelerate alloy discovery by coupling high throughput CALPHAD calculations, synthetic data generation, and data mining. As a demonstration of the approach, we design super bainitic steels that form bainite at 200 degrees C in lower transformation times.
Keyword:
Alloy design
Data Mining
Synthetic Data
Machine Learning
CALPHAD
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期刊

Scripta Materialia 封面图
Scripta Materialia
IF:
5.6
论文数:
1.6W
被引数:
5.1W

机构

U
united states department of energy (doe)
学者数:
11.3W
论文数: 9.6W
被引数: 246
O
oak ridge national laboratory
学者数:
1.5W
论文数: 1.0W
被引数: 20
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