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The structural stability, mechanical properties and stacking fault energy of Al3Zr precipitates in Al-Cu-Zr alloys: HRTEM observations and first-principles calculations 期刊论文
2016, 卷号: 681, 页码: 96-108
作者:  Hu, Hai[1];  Zhao, Mingqi[2];  Wu, Xiaozhi[1,2];  Jia, Zhihong[2];  Wang, Rui[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/28
Calculations of oxide formation on low-index Cu surfaces 期刊论文
2016, 卷号: 145
作者:  Lian, Xin[1];  Xiao, Penghao[2,3];  Yang, Sheng-Che[2,3];  Liu, Renlong[1];  Henkelman, Graeme[2,3]
收藏  |  浏览/下载:7/0  |  提交时间:2019/11/28
Numerical methods for spin-dependent transport calculations and spin bound states analysis in Rashba waveguides 期刊论文
2016, 卷号: 198, 页码: 118-127
作者:  Xie, Hang[1,2];  Jiang, Feng[3];  Sha, Wei E. I.[4]
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/28
Effects of alloying elements on the cohesion of {10(1)over-bar1} twin boundary from first-principles calculations 期刊论文
2016, 卷号: 182, 页码: 198-200
作者:  Xi, Guoqiang[1];  Zhang, Jing[1,2];  Fang, Chao[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/28
Effective Chirality Transfer in [3+2] Reaction between Allenyl-Rhodium and Enal: Mechanistic Study Based on DFT Calculations 期刊论文
2016, 卷号: 81, 页码: 8306-8311
作者:  Qi, Xiaotian[1];  Liu, Song[1];  Zhang, Tao[1];  Long, Rong[2,3,4,5];  Huang, Jun[2]
收藏  |  浏览/下载:4/0  |  提交时间:2019/11/28
Ring-polymer molecular dynamical calculations for the F plus HCl -> HF plus Cl reaction on the ground 1(2)A ' potential energy surface 期刊论文
2016, 卷号: 18, 页码: 32031-32041
作者:  Bai, Mengna[1];  Lu, Dandan[1];  Li, Yongle[2,3];  Li, Jun[1]
收藏  |  浏览/下载:9/0  |  提交时间:2019/11/28
Damage Detection Using Improved Direct Stiffness Calculations - A Case Study 期刊论文
2016, 卷号: 16
作者:  Yang, Yang[1];  Mosalam, Khalid M.[2];  Liu, Gang[1];  Wang, Xiaoliang[3]
收藏  |  浏览/下载:1/0  |  提交时间:2019/11/28
Effects of alloying elements on the cohesion of {101ˉ1} twin boundary from first-principles calculations 期刊论文
2016, 卷号: 182, 页码: 198-200
作者:  Xi, Guoqiang[1];  Zhang, Jing[1,2];  Fang, Chao[1]
收藏  |  浏览/下载:3/0  |  提交时间:2019/11/29
Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 1A' potential energy surface. 期刊论文
2016, 卷号: 18
作者:  Bai, Mengna[1];  Lu, Dandan[1];  Li, Yongle[2];  Li, Jun[1]
收藏  |  浏览/下载:1/0  |  提交时间:2019/11/29


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