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Wang Kun, Qiao Ying-Jie, Zhang Xiao-Hong, Wang Xiao-Dong, Zheng Ting, Bai Cheng-Ying, Zhang Yi-Ming, Du Shi-Yu. First-principles study of effect of ideal tensile/shear strain on chemical bond length and charge density distribution of U3Si2. Acta Physica Sinica,
2022, 71(22): 227102.
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Xu Pan-Pan, Han Pei-De, Zhang Zhu-Xia, Zhang Cai-Li, Dong Nan, Wang Jian. First-principles study of boron segregation in fcc-Fe grain boundaries and its influence on interface adhesive strength. Acta Physica Sinica,
2021, 70(16): 166401.
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Shao Yu-Fei, Meng Fan-Shun, Li Jiu-Hui, Zhao Xing. Molecular dynamics simulations for tensile behaviors of mono-layer MoS2 with twin boundary. Acta Physica Sinica,
2019, 68(21): 216201.
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Wang Qi, Tang Fa-Wei, Hou Chao, Lü Hao, Song Xiao-Yan. First-principles calculations of solute-segreagtion of W-In alloys at grain boundaries. Acta Physica Sinica,
2019, 68(7): 077101.
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Sun Feng, Liu Ran, Suo Yu-Qing, Niu Le-Le, Fu Huan-Yan, Ji Wen-Fang, Li Zong-Liang. First principle study on stretching and breaking process of single-molecule junction: Terminal group effect. Acta Physica Sinica,
2019, 68(17): 178502.
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Liu Qi, Guan Peng-Fei. First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica,
2018, 67(17): 178101.
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Gao Yun-Liang, Zhu Yuan-Jiang, Li Jin-Ping. First-principle study of initial irradiation damage in aluminum. Acta Physica Sinica,
2017, 66(5): 057104.
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Fan Wei, Zeng Zhi. First-principles studies on the properties of Cu2ZnSnS4 grain-boundaries due to photovoltaic effect. Acta Physica Sinica,
2015, 64(23): 238801.
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Tang Jie, Zhang Guo-Ying, Bao Jun-Shan, Liu Gui-Li, Liu Chun-Ming. First-principles study of the effect of S impurity on the adhesion of Fe/Al2O3 interface. Acta Physica Sinica,
2014, 63(18): 187101.
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Wang Hai-Yan, Gao Xue-Yun, Ren Hui-Ping, Zhang Hong-Wei, Tan Hui-Jie. First-principles characterization of lanthanum occupying tendency in -Fe and effect on grain boundaries. Acta Physica Sinica,
2014, 63(14): 148101.
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Meng Fan-Shun, Li Jiu-Hui, Zhao Xing. First-principles study on the effects of Zn-segregation in CuΣ5 grain boundary. Acta Physica Sinica,
2014, 63(23): 237102.
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Meng Fan-Shun, Zhao Xing, Li Jiu-Hui. The first-principles study on properties of B-doped at interstitial site of Cu∑5 grain boundary. Acta Physica Sinica,
2013, 62(11): 117102.
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Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin. First principles study of the uniaxial compressive strength of bct-C4 carbon allotrope. Acta Physica Sinica,
2012, 61(9): 093104.
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Wang Ru-Zhi, Xu Li-Chun, Yan Hui, Kohyama Masanori. First-principles predictions for the tensile strength of Al metal with dislocations of twist grain boundaries. Acta Physica Sinica,
2012, 61(2): 026801.
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He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin. The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica,
2011, 60(7): 077104.
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Huang Yun-Xia, Cao Quan-Xi, Li Zhi-Min, Li Gui-Fang, Wang Yu-Peng, Wei Yun-Ge. First-principles calculation of microwave dielectric properties of Al-doping ZnO powders. Acta Physica Sinica,
2009, 58(11): 8002-8007.
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Liu Xiao-Ming, You Xiao-Chuan, Liu Zhan-Li, Nie Jun-Feng, Zhuang Zhuo. Molecular dynamical investigation on plastic behavior of Cu(100) twist-grain boundary under uniaxial tension. Acta Physica Sinica,
2009, 58(3): 1849-1856.
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min. First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica,
2008, 57(7): 4428-4433.
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. First principles calculations of the effect of tension of MgB2 film on its superconductivity. Acta Physica Sinica,
2007, 56(12): 7262-7265.
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Zhang Jia-Hong, Liu Su, Gu Fang, Yang Li-Juan, Liu Mei. First-principles calculations of electronic structure and magnetism of Gd2Co2Al. Acta Physica Sinica,
2006, 55(6): 2928-2935.
doi: 10.7498/aps.55.2928
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