Study on high temperature oxidation of Y doped Nb 2AlC (MAX phase) from ab initio molecular dynamics simulation
Document Type
Conference Proceeding
Publication Date
12-1-2011
Abstract
We have investigated the oxidation of Y doped Nb 2AlC (MAX phase) at high temperatures through ab initio density functional theory (DFT) molecular dynamics (MD) simulation. As typical Max phase material, Nb 2AlC has a high performance in oxidation resistances, thermal stabilities and melting points. With Y doping, the oxidation of Nb 2AlC are studied at high temperatures from 1200K°C to 2100K. Possible stable structures through Mo and Y co-doping for Nb 2AlC systems are also studied in this research. The potential applications of the Y-Mo-Nb 2AlC systems are discussed. Copyright © 2011 MS&T'11®.
Publication Source (Journal or Book title)
Materials Science and Technology Conference and Exhibition 2011, MS and T'11
First Page
1103
Last Page
1107
Recommended Citation
Yang, S., Zhao, L., Khosravi, E., Wang, K., & Guo, S. (2011). Study on high temperature oxidation of Y doped Nb 2AlC (MAX phase) from ab initio molecular dynamics simulation. Materials Science and Technology Conference and Exhibition 2011, MS and T'11, 2, 1103-1107. Retrieved from https://repository.lsu.edu/mechanical_engineering_pubs/1018