NIMTE OpenIR

Browse/Search Results:  1-10 of 12 Help

Selected(0)Clear Items/Page:    Sort:
Comparison of empirical potentials for calculating structural properties of amorphous carbon films by molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 151, 页码: 246-254
Authors:  Li, Xiaowei;  Wang, Aiying;  Lee, Kwang-Ryeol
Favorite  |  View/Download:7/0  |  Submit date:2018/12/04
Diamond-like Carbon  Chemical-vapor-deposition  Hydrocarbons  Growth  Energy  Evolution  Atoms  Xps  
A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 144, 页码: 120-125
Authors:  Luo, H. B.;  Du, J.;  Yan, A. R.;  Liu, J. P.
Favorite  |  View/Download:3/0  |  Submit date:2018/12/04
Thin-films  Alloy  Nanoparticles  
Abnormal grain growth of UO2 with pores in the final stage of sintering: A phase field study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 145, 页码: 24-34
Authors:  Guo, Yaolin;  Liu, Zhen;  Huang, Qing;  Lin, Cheng-Te;  Du, Shiyu
Favorite  |  View/Download:11/0  |  Submit date:2018/12/04
Uranium-dioxide  Kinetics  Simulation  Energy  Model  Size  Systems  
Thermal vacancy formation enthalpy of random solid solutions: The FePt case 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 143, 页码: 206-211
Authors:  Luo, H. B.;  Hu, Q. M.;  Du, J.;  Yan, A. R.;  Liu, J. P.
Favorite  |  View/Download:5/0  |  Submit date:2018/12/04
Potential Model  Alloys  Nanoparticles  Coercivity  Transition  Energetics  Metals  Energy  
Stability and electronic properties of sulfur terminated two-dimensional early transition metal carbides and nitrides (MXene) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 153, 页码: 303-308
Authors:  Yang, Jianhui;  Wang, Anping;  Zhang, Shaozheng;  Wu, Helan;  Chen, Liang
Favorite  |  View/Download:11/0  |  Submit date:2018/12/04
Total-energy Calculations  Wave Basis-set  Nh3 Sensor  Intercalation  Monolayer  1st-principles  Carbosulfide  Multilayer  Capturer  Niobium  
Tuning magnetic properties of Cr2M2C3T2 (M = Ti and V) using extensile strain 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 139, 页码: 313-319
Authors:  Yang, Jianhui;  Luo, Xuepiao;  Zhou, Xumeng;  Zhang, Shaozheng;  Liu, Jia;  Xie, Yan;  Lv, Liang;  Chen, Liang
Favorite  |  View/Download:17/0  |  Submit date:2017/12/25
Current rectification induced by V-doped and Sc-doped in Ti2CO2 devices 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 138, 页码: 175-182
Authors:  Zhou, Yuhong;  Zhai, Guangmei;  Yan, Tao;  Huang, Qing;  Guo, Zhansheng;  Lin, Cheng-Te;  Du, Shiyu
Favorite  |  View/Download:9/0  |  Submit date:2017/12/25
First principles study of enhanced CO2 adsorption on MOF-253 by salt-insertion 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2016, 卷号: 111, 页码: 79-85
Authors:  Wu, Yang;  Wei, Lihong;  Wang, Houyuan;  Chen, Liang;  Zhang, Qiuju
Adobe PDF(1864Kb)  |  Favorite  |  View/Download:102/1  |  Submit date:2016/09/18
The evolution of mechanical and structural properties at the fiber/matrix interphase of SiC/SiC composites 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 104, 页码: 84-91
Authors:  Jin, Enze;  Du, Shiyu;  He, Heming
Adobe PDF(4706Kb)  |  Favorite  |  View/Download:10/0  |  Submit date:2016/09/18
Integrated thermal, micro- and macro-mechanical modelling of post-fire flexural behaviour of flame-retarded glass/epoxy composites 期刊论文
Computational Materials Science, 2012, 期号: 59, 页码: 22—32
李红周
Favorite  |  View/Download:8/0  |  Submit date:2013/12/16