Ab initio .

Franco Moitzi1, Lorenz Romaner2, Andrei V Ruban1,3

  • 1Materials Center Leoben Forschung GmbH, Roseggerstraße 12, Leoben, A-8700 Austria.

npj computational materials
|July 29, 2024
PubMed
概括

本研究介绍了一种用于优化多主元素合金 (MPEA) 的计算框架. 它有效地预测合金的性能,解决耐火MPEA的强度-柔性权衡.

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