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Prediction of chemical short-range order in high-/medium-entropy alloys 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
作者:  Cao PY(曹沛宇);  Wang J(王晶);  Jiang P(姜萍);  Wang YJ(王云江);  Yuan FP(袁福平);  Wu XL(武晓雷)
收藏  |  浏览/下载：147/0  |  提交时间：2023/10/10
Short-range order  High-entropy alloy  Microstructure  First-principles calculation  Gibbs free energy  Local electronic density of states  
Ideal superelasticity in Ni-based Heusler alloys 期刊论文
ACTA MATERIALIA, 2021, 卷号: 210, 页码: 11
作者:  Cao PY(曹沛宇);  Tian, Fuyang;  Li, Wei;  Vitos, Levente;  Wang, Yandong
Adobe PDF(4366Kb)  |  收藏  |  浏览/下载：313/83  |  提交时间：2021/06/15
Heusler alloys  shape memory alloys  martensitic phase transformation  nonhysteretic superelasticity  first-principles calculation  
Tests on the Accuracy and Scalability of the Full-Potential DFT Method Based on Multiple Scattering Theory 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 590047
作者:  Cao PY(曹沛宇);  Fang J;  Gao XY;  Tian FY;  Song HF
Adobe PDF(1650Kb)  |  收藏  |  浏览/下载：212/33  |  提交时间：2021/02/09
first principles  Korringa-Kohn-Rostoker (KKR)  multiple scattering theory (MST)  full potential  elastic constants