个人简介
刘中利，博士、研究员、博士生导师，博士毕业于四川大学，2018年在加拿大McGill大学郭鸿院士课题组访问教授进修。
研究领域
极端环境材料器件的抗辐射机理研究
抗辐射器件设计与器件的抗辐射加固
极端高温高压条件下材料的新特性研究
新型功能材料设计与新材料计算设计方法研究
材料的第一性原理与分子动力学模拟研究
近期论文
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Investigating elastic constants across diverse strain-matrix sets Zhong-Li Liu, Ya-Dong Wei, Xiao-Dong Xu, Wei-Qi Li, Gang Lv, Jian-Qun Yang, Xing-Ji Li*, Chinedu E. Ekuma* 2023 期刊名称 Computational Materials Science 期卷 230：112521
First-principles study on the high-pressure physical properties of orthocarbonate Ca2CO4 Zi-Jiang Liu, Tian Li, Xiao, Wei Sun, Cai-Rong Zhang, Zhong-Li Liu, Ting Song & Xiao-Dong Wen 2023 期刊名称 Scientific Reports 期卷 13:11422
Response Mechanisms of Additional Displacement Defects in Oxides to Ionization Damage in Bipolar Transistors Enhao Guan, Zhongli Liu, Tao Ying, Yadong Wei, Yubao Zhang, Xiuhai Cui, Gang Lv, Weiqi Li, Jianqun Yang, and Xingji Li 2023 期刊名称 IEEE TRANSACTIONS ON NUCLEAR SCIENCE 期卷 70：768
Threshold displacement energy of amorphous SiO2: a molecular dynamics study Yuan-Bo Jiao, Ya-Dong Wei, Wei-Qi Li, Xiu-Hai Cui, Zhong-Li Liu*, Jian-Qun Yang, and Xing-Ji Li* 2023 期刊名称 Journal of Non-Crystalline Solids 期卷 621：122633
Efficient prediction of temperature-dependent elastic and mechanical properties of 2D materials S. M. Kastuar, C. E. Ekuma & Z. -L. Liu 2022 期刊名称 Scientific Reports 期卷 3.12222222222222
ElasTool: An automated toolkit for elastic constants calculation Zhong-Li Liu, C.E. Ekuma, Wei-Qi Li, Jian-Qun Yang, and Xing-Ji Li 2022 期刊名称 Computer Physics Communications 期卷 270: 108180
Novel ReSe semiconductor designed by structure prediction and phase diagram calculation Cuan-Cuan Zhu, Zhong-Li Liu*, Si-Min Li, Shou-Jun Huang and Hai-Yan Wang* 2021 期刊名称 Journal of Materials Science 期卷 56:6878
Ab initio phase diagram of WSe based on crystal structure prediction Cuan-Cuan Zhu, Hai-Yan Wang*, Xiu-Lu Zhang, Zhong-Li Liu* 2020 期刊名称 Computational Materials Science 期卷 181:109732
Machine-Learning Assisted Screening of Energetic Materials Peng Kang, Zhongli Liu, Hakima Abou-Rachid, and Hong Guo* 2020 期刊名称 J. Phys. Chem. A 期卷 124:5341
Mechanical properties and hardness of boron pnicogens BX (X = N, P, As) C.E. Ekuma* and Z.-L. Liu 2020 期刊名称 Materialia 期卷 14:100904
Material informatics for layered high-TC superconductors Zhong-Li Liu*, Peng Kang, Yu Zhu, Lei Liu, and Hong Guo 2020 期刊名称 APL Materials 期卷 8:061104
Phase diagram, shock equation of states, and elasticity of metal ruthenium under high pressure Zhong-Li Liu*, Cuan-Cuan Zhu, Xiu-Lu Zhang, Hai-Yan Wang* 发表时间 2020 期刊名称 Physica B 期卷 598:412434
Structural and thermodynamic properties of compressed palladium: Ab initio and molecular dynamics study Zhong-Li Liu*, Jie-Hui Yang, Ling-Cang Cai, Fu-Qian Jing, and Dario Alfè 发表时间 2011 期刊名称 Phys. Rev. B 期卷 83:144113
Molecular dynamics simulations of the melting curve of tantalum under pressure Zhong-Li Liu, Ling-Cang Cai, Xiang-Rong Chen*, and Fu-Qian Jing 发表时间 2008 期刊名称 Phys. Rev. B 期卷 77: 024103
Elastic anisotropy of ？ -Fe under conditions at the Earth's inner core Xiang-Rong Chen, Zhao-Yi Zeng, Zhong-Li Liu, Ling-Cang Cai, and Fu-Qian Jing 发表时间 2011 期刊名称 Phys. Rev. B 期卷 83: 132102
Unexpected coordination number and phase diagram of niobium diselenide under compression Zhong-Li Liu*, Hong Jia, Rui Li, Xiu-Lu Zhang, and Ling-Cang Cai 发表时间 2017 期刊名称 Phys. Chem. Chem. Phys. 期卷 19: 13219
Shock Melting Method to Determine Melting Curve by Molecular Dynamics: Cu, Pd, and Al Zhong-Li Liu*, Xiu-Lu Zhang, and Ling-Cang Cai 发表时间 2015 期刊名称 J. Chem. Phys. 期卷 143:114101
Direct anharmonic correction method by molecular dynamics Zhong-Li Liu*, Rui Li, Xiu-Lu Zhang, Nuo Qu, and Ling-Cang Cai 发表时间 2017 期刊名称 Comput. Phys. Comm. 期卷 213: 122
Predicted alternative structure for tantalum metal under high pressure and high temperature Zhong-Li Liu*, Ling-Cang Cai, Xiu-Lu Zhang, and Feng Xi 发表时间 J. Appl. Phys. 期刊名称 2013 期卷 114: 073520
MUSE: Multi-algorithm collaborative crystal structure prediction Zhong-Li Liu* 发表时间 2014 期刊名称 Comput. Phys. Commun. 期卷 185: 1893
Novel high-pressure structures and superconductivity of niobium disulfide Zhong-Li Liu*, Ling-Cang Cai, and Xiu-Lu Zhang 发表时间 2014 期刊名称 J. Alloy. Compd. 期卷 610: 472
PHASEGO: A toolkit for automatic calculation and plot of phase diagram Zhong-Li Liu* 发表时间 2015 期刊名称 Comput. Phys. Commun. 期卷 191:150
PHASEGO 2.0: Counting full anharmonic effects from high-temperature phonon density of states Zhong-Li Liu* 发表时间 2015 期刊名称 Comput. Phys. Commun. 期卷 197:341
High-pressure phase diagram of gold from first-principles calculations: Converging to an isotropic atomic stacking order Zhong-Li Liu*, Ya-Ping Tao, Xiu-Lu Zhang, and Ling-Cang Cai 发表时间 2016 期刊名称 Comput. Mater. Sci. 期卷 114: 72
Comparative study on two melting simulation methods: Melting Curve of Gold Zhong-Li Liu*, Jun-Sheng Sun, Rui Li, Xiu-Lu Zhang, and Ling-Cang Cai 发表时间 2016 期刊名称 Commun. Theor. Phys. 期卷 65: 613
PHASEGO 3.0: Automatic analysis of synthesis and decomposition conditions for compounds Zhong-Li Liu*, Qian-Ku Hu, Hai-Yan Wang, and Xiao-Feng Li 发表时间 2016 期刊名称 Comput. Phys. Commun. 期卷 209: 197
Phase transition and thermodynamic properties of Sr under high pressure Zhong-Li Liu*, Xiao-Feng Li, Xiu-Lu Zhang, Ling-Cang Cai, andFu-Qian Jing 发表时间 2011 期刊名称 Physica B 期卷 406: 4518
FP-LAPW calculations of structural and elastic properties of tantalum under high pressure Zhong-Li Liu*, Xiao-Feng Li, Ling-Cang Cai, and Fu-Qian Jing 发表时间 2011 期刊名称 Phys. Status Solidi B 期卷 248: 175
The anisotropy of shock-induced melting of Pt observed in molecular dynamics simulations Zhong-Li Liu*, Jie-Hui Yang, Zhi-Guo Zhao, Ling-Cang Cai, and Fu-Qian Jing 发表时间 2011 期刊名称 Phys. Lett. A 期卷 374: 1579
Ab initio refinement of the thermal equation of state for bcc tantalum: the effect of bonding on anharmonicity Zhong-Li Liu*, Ling-Cang Cai, Xiang-Rong Chen, Qiang Wu, and Fu-Qian Jing 发表时间 2009 期刊名称 J. Phys.: Condens. Matt. 期卷 21: 095408
, Self-assembly griddingα-MoO3 nanobelts for highly toxic H2S gas sensors Lei Zhang, Zhongli Liu※, Long Jin, Binbin Zhang, Haitao Zhang, Minhao Zhu,andWeiqing Yang* 发表时间 2016 期刊名称 Sensor Actuat. B 期卷 237: 350
Ab initio refinement of the thermal equation of state for bcc tantalum: the effect of bonding on anharmonicity Zhong-Li Liu, Ling-Cang Cai, Xiang-Rong Chen, Qiang Wu and Fu-Qian Jing 发表时间 2009 期刊名称 Journal of Physics: Condensed Matter 期卷 21: 095408
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