Cargando…
Machine Learning-Aided High-Throughput First-Principles Calculations to Predict the Formation Energy of μ Phase
[Image: see text] The μ phase is a type of hard and brittle constituent that exists in high-temperature alloys. The formation energy is a crucial thermochemical datum, and the accurate calculation of the formation energy of the μ phase contributes to the material design of high-temperature alloys. T...
Autores principales: | Su, Yue, Wang, Jiong, Zou, You |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10568586/ https://www.ncbi.nlm.nih.gov/pubmed/37841158 http://dx.doi.org/10.1021/acsomega.3c05146 |
Ejemplares similares
-
First-principles calculations of the epsilon phase of solid oxygen
por: Anh, Le The, et al.
Publicado: (2019) -
Schottky barrier formation and band bending revealed by first- principles calculations
por: Jiao, Yang, et al.
Publicado: (2015) -
High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO(3) perovskites
por: Emery, Antoine A., et al.
Publicado: (2017) -
Optical properties of dense lithium in electride phases by first-principles calculations
por: Yu, Zheng, et al.
Publicado: (2018) -
Printable high-efficiency organic ionic photovoltaic materials discovered by high-throughput first-principle calculations
por: Huang, Peihao, et al.
Publicado: (2022)