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Design of defected TaN supercells dataset for structural and elastic properties from ab initio simulations and comparison to experimental data. 期刊论文
Data in brief, 2020, 卷号: 30, 页码: 105411-105411
Authors:  Li, Chen-Hui;  Abadias, Gregory;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
Favorite  |  View/Download：59/0  |  Submit date：2021/02/03
Prediction on temperature dependent elastic constants of "soft" metal Al by AIMD and QHA 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 45, 页码: 92-97
Authors:  Zhang, Haijun;  Li, Chenhui;  Djemia, Philippe;  Yang, Rui;  Hu, Qingmiao
Favorite  |  View/Download：78/0  |  Submit date：2021/02/02
Elastic constant  First-principle  Molecular dynamics  Vibration  Aluminum  
Prediction on temperature dependent elastic constants of "soft" metal Al by AIMD and QHA 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 45, 页码: 92-97
Authors:  Zhang, Haijun;  Li, Chenhui;  Djemia, Philippe;  Yang, Rui;  Hu, Qingmiao
Favorite  |  View/Download：96/0  |  Submit date：2021/02/02
Elastic constant  First-principle  Molecular dynamics  Vibration  Aluminum  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
Authors:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
Favorite  |  View/Download：59/0  |  Submit date：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
Authors:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
Favorite  |  View/Download：63/0  |  Submit date：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Longitudinal sound velocities, elastic anisotropy, and phase transition of high-pressure cubic H2O ice to 82 GPa 期刊论文
AMER PHYSICAL SOC, 2017, 卷号: 96, 期号: 13, 页码: -
Authors:  Kuriakose, Maju;  Raetz, Samuel;  Hu, Qing Miao;  Nikitin, Sergey M.;  Chigarev, Nikolay;  Tournat, Vincent;  Bulou, Alain;  Lomonosov, Alexey;  Djemia, Philippe;  Gusev, Vitalyi E.;  Zerr, Andreas;  Gusev, VE (reprint author), Univ Maine, LAUM, UMR CNRS 6613, Ave Olivier Messiaen, F-72085 Le Mans, France.;  Zerr, A (reprint author), Univ Paris 13, LSPM, UPR CNRS 3407, Ave JB Clement, F-93430 Villetaneuse, France.
Favorite  |  View/Download：66/0  |  Submit date：2018/01/10