[1] |
Hu Ting-He, Li Zhi-Hao, Zhang Qian-Fan.First principles and molecular dynamics simulations of effect of dopants on properties of high strength steel for hydrogen storage vessels. Acta Physica Sinica, 2024, 73(6): 067101.doi:10.7498/aps.73.20231735 |
[2] |
Zhu Kai, Huang Can, Cao Bang-Jie, Pan Yan-Fei, Fan Ji-Yu, Ma Chun-Lan, Zhu Yan.First-principles study of role of Kitaev interaction in monolayer 1T-CoI2. Acta Physica Sinica, 2023, 72(24): 247101.doi:10.7498/aps.72.20230909 |
[3] |
Hou Lu, Tong Xin, Ouyang Gang.First-principles study of atomic bond nature of one-dimensional carbyne chain under different strains. Acta Physica Sinica, 2020, 69(24): 246802.doi:10.7498/aps.69.20201231 |
[4] |
Fu Zheng-Hong, Li Ting, Shan Mei-Le, Guo Kang, Gou Guo-Qing.Effect of H on elastic properties of Mg2Si by the first principles calculation. Acta Physica Sinica, 2019, 68(17): 177102.doi:10.7498/aps.68.20190368 |
[5] |
Diwu Min-Jie, Hu Xiao-Mian.Isostructural phase transition of fcc Ce: Molecular dynamics simulations. Acta Physica Sinica, 2019, 68(20): 203401.doi:10.7498/aps.68.20190884 |
[6] |
Huang Ao, Lu Zhi-Peng, Zhou Meng, Zhou Xiao-Yun, Tao Ying-Qi, Sun Peng, Zhang Jun-Tao, Zhang Ting-Bo.Effects of the doping of Al and O interstitial atoms on thermodynamic properties of -Al2O3:first-principles calculations. Acta Physica Sinica, 2017, 66(1): 016103.doi:10.7498/aps.66.016103 |
[7] |
Wu Ruo-Xi, Liu Dai-Jun, Yu Yang, Yang Tao.First-principles investigations on structure and thermodynamic properties of CaS under high pressures. Acta Physica Sinica, 2016, 65(2): 027101.doi:10.7498/aps.65.027101 |
[8] |
Zeng Xiao-Bo, Zhu Xiao-Ling, Li De-Hua, Chen Zhong-Jun, Ai Ying-Wei.First-principles calculations of the mechanical properties of IrB and IrB2. Acta Physica Sinica, 2014, 63(15): 153101.doi:10.7498/aps.63.153101 |
[9] |
Ke Chuan, Zhao Cheng-Li, Gou Fu-Jun, Zhao Yong.Molecular dynamics study of interaction between the H atoms and Si surface. Acta Physica Sinica, 2013, 62(16): 165203.doi:10.7498/aps.62.165203 |
[10] |
Hu Jie-Qiong, Xie Ming, Zhang Ji-Ming, Liu Man-Men, Yang You-Cai, Chen Yong-Tai.First principles study of Au-Sn intermetallic compounds. Acta Physica Sinica, 2013, 62(24): 247102.doi:10.7498/aps.62.247102 |
[11] |
Ru Qiang, Li Yan-Ling, Hu She-Jun, Peng Wei, Zhang Zhi-Wen.The investigation of lithium insertion mechanism for Sn3InSb4 alloy based on first-principle calculation. Acta Physica Sinica, 2012, 61(3): 038210.doi:10.7498/aps.61.038210 |
[12] |
Zhao Cheng-Li, Lü Xiao-Dan, Ning Jian-Ping, Qing You-Min, He Ping-Ni, Gou Fu-Jun.Molecular dynamics simulations of energy effectson atorn F interaction with SiC(100). Acta Physica Sinica, 2011, 60(9): 095203.doi:10.7498/aps.60.095203 |
[13] |
Li Shi-Na, Liu Yong.First-principles calculation of elastic and thermodynamic properties of copper nitride. Acta Physica Sinica, 2010, 59(10): 6882-6888.doi:10.7498/aps.59.6882 |
[14] |
Chen Yi, Shen Jiang.Structural and thermodynamic properties of Fe based compounds with NaZn13-type. Acta Physica Sinica, 2009, 58(13): 141-S145.doi:10.7498/aps.58.141 |
[15] |
Hu Jian-Bo, Zhou Xian-Ming, Tan Hua.Measurements of release sound velocities of tin with reverse-impact method. Acta Physica Sinica, 2008, 57(4): 2347-2351.doi:10.7498/aps.57.2347 |
[16] |
Liu Na-Na, Song Ren-Bo, Sun Han-Ying, Du Da-Wei.The electronic structure and thermodynamic properties of Mg2Sn from first-principles calculations. Acta Physica Sinica, 2008, 57(11): 7145-7150.doi:10.7498/aps.57.7145 |
[17] |
Zhang Chao, Lv Hai-Feng, Zhang Qing-Yu.. Acta Physica Sinica, 2002, 51(10): 2329-2334.doi:10.7498/aps.51.2329 |
[18] |
LI MI.THE INTERATOMIC INTERACTION AND PHONON DISPERSIONS IN IRON. Acta Physica Sinica, 2000, 49(9): 1692-1695.doi:10.7498/aps.49.1692 |
[19] |
LIU PENG, YANG TONG-QING, XU ZHUO, ZHANG LIANG-YING, YAO XI.ELECTRIC FIELD INDUCED ANTIFERROELECTRIC TO FERROELECTRIC PHASE TRANSITION OF Pb (Zr,Sn,Ti)O3 CERAMICS AND TAILORING OF PROPERTIES THROUGH COMPOSITION MODIFICATION. Acta Physica Sinica, 2000, 49(9): 1852-1858.doi:10.7498/aps.49.1852 |
[20] |
LIU PENG, YANG TONG-QING, ZHANG LIANG-YING, YAO XI.INVESTIGATION OF DIFFUSED PHASE TRANSITION AND POLAR RELAXATION IN Pb(Zr,Sn,Ti)O3 ANTIFERROELECTRIC CERAMICS. Acta Physica Sinica, 2000, 49(11): 2300-2303.doi:10.7498/aps.49.2300 |