作者
Thien C Duong, Anjana Talapatra, Woongrak Son, Miladin Radovic, Raymundo Arróyave
发表日期
2017/7/11
期刊
Scientific Reports
卷号
7
期号
1
页码范围
5138
出版商
Nature Publishing Group UK
简介
The quest towards expansion of the Mn+1AXn design space has been accelerated with the recent discovery of several solid solution and ordered phases involving at least two Mn+1AXn end members. Going beyond the nominal Mn+1AXn compounds enables not only fine tuning of existing properties but also entirely new functionality. This search, however, has been mostly done through painstaking experiments as knowledge of the phase stability of the relevant systems is rather scarce. In this work, we report the first attempt to evaluate the finite-temperature pseudo-binary phase diagram of the Ti2AlC-Cr2AlC via first-principles-guided Bayesian CALPHAD framework that accounts for uncertainties not only in ab initio calculations and thermodynamic models but also in synthesis conditions in reported experiments. The phase stability analyses are shown to have good agreement with previous experiments. The work …
引用总数
2017201820192020202120222023202414327141
学术搜索中的文章
TC Duong, A Talapatra, W Son, M Radovic, R Arróyave - Scientific Reports, 2017