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1

Universal cubic equation of state and contact values of the radial distribution functions for multi-component additive hard-sphere mixtures

Sun, Jiu-Xun, Wu, Qiang, Cai, Ling-Cang, Jin, Ke

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 330 KB

english, 2013

2

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

Sun, Jiu-Xun, Cai, Ling-Cang, Wu, Qiang, Jin, Ke

Journal:

Physica Scripta

Year:

2013

Language:

english

File:

PDF, 348 KB

english, 2013

3

Study of the thermodynamic stability of iron at inner core from first-principles theory combined with lattice dynamics

Niu, Zhen-Wei, Zeng, Zhao-Yi, Cai, Ling-Cang, Chen, Xiang-Rong

Journal:

Physics of the Earth and Planetary Interiors

Year:

2015

Language:

english

File:

PDF, 906 KB

english, 2015

4

Study of the thermodynamic properties of CeO2 from ab initio calculations: The effect of phonon-phonon interaction

Niu, Zhen-Wei, Zeng, Zhao-Yi, Hu, Cui-E, Cai, Ling-Cang, Chen, Xiang-Rong

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 977 KB

english, 2015

5

The Melting Curves and Entropy of Iron under High Pressure

Luo, Fen, Cheng, Yan, Chen, Xiang-Rong, Cai, Ling-Cang, Jing, Fu-Qian

Journal:

Journal of Chemical & Engineering Data

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

6

First principles study of the temperature-dependent elastic properties of W

Luo, Fen, Guo, Zhi-Cheng, Zhang, Xiu-Lu, Yuan, Chang-Ying, Cai, Ling-Cang

Journal:

Philosophical Magazine Letters

Year:

2015

Language:

english

File:

PDF, 241 KB

english, 2015

7

Lattice Dynamics and Thermodynamics of Molybdenum from First-Principles Calculations

Zeng, Zhao-Yi, Hu, Cui-E, Cai, Ling-Cang, Chen, Xiang-Rong, Jing, Fu-Qian

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.22 MB

english, 2010

8

Molecular dynamics studies of body-centered cubic tungsten during melting under pressure

Liu, Chun-Mei, Xu, Chao, Cheng, Yan, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Chinese Journal of Physics

Year:

2017

Language:

english

File:

PDF, 853 KB

english, 2017

9

Vibrational spectrum of condensed H 2 O in hydrogen-bonding environment: an ab initio simulation study

Sun, Yan-Yun, Liu, Fu-Sheng, Xu, Li-Hua, Liu, Qi-Jun, Ma, Xiao-Juan, Cai, Ling-Cang

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 403 KB

english, 2015

10

Elastic, mechanical, electronic properties and hardness of Nb 2 AsC from first principles

Luo, Fen, Guo, Zhi-Cheng, Zhang, Xiu-Lu, Yuan, Chang-Ying, Liu, Cheng-An, Cai, Ling-Cang

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 513 KB

english, 2015

11

First-principles calculations of elastic, phonon and thermodynamic properties of W

Guo, Zhi-Cheng, Luo, Fen, Zhang, Xiu-Lu, Yuan, Chang-Ying, Liu, Cheng-An, Cai, Ling-Cang

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

12

Ab initio calculations of the thermodynamics and phase diagram of zirconium

Hao, Yan-Jun, Zhang, Lin, Chen, Xiang-Rong, Cai, Ling-Cang, Wu, Qiang, Alfè, Dario

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 347 KB

english, 2008

13

A possible superhard orthorhombic carbon

Cheng, Cai, Lv, Zhen-Long, Cheng, Yan, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Diamond and Related Materials

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

14

Unexpected coordination number and phase diagram of niobium diselenide under compression

Liu, Zhong-Li, Jia, Hong, Li, Rui, Zhang, Xiu-Lu, Cai, Ling-Cang

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 11.47 MB

english, 2017

15

FP-LAPW calculations of structural and elastic properties of tantalum under high pressure

Zhong-Li Liu, Xiao-Feng Li, Ling-Cang Cai, Fu-Qian Jing

Journal:

physica status solidi (b)

Year:

2011

Language:

english

File:

PDF, 266 KB

english, 2011

16

Melting curves and entropy of fusion of body-centered cubic tungsten under pressure

Liu, Chun-Mei, Chen, Xiang-Rong, Xu, Chao, Cai, Ling-Cang, Jing, Fu-Qian

Journal:

Journal of Applied Physics

Year:

2012

Language:

english

File:

PDF, 1019 KB

english, 2012

17

The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study

Ling-Cang, Cai, Qi-Feng, Chen, Shou-Xin, Cui, Fu-Qian, Jing

Journal:

Chinese Physics Letters

Year:

2005

Language:

english

File:

PDF, 283 KB

english, 2005

18

Ab Initio Study of Ionized Water Radical Cation (H 2 O) 8+ in Combination with the Particle Swarm Optimization Method

Tang, Mei, Hu, Cui-E, Lv, Zhen-Long, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 734 KB

english, 2016

19

Ab initio refinement of the thermal equation of state for bcc tantalum: the effect of bonding on anharmonicity

Liu, Zhong-Li, Cai, Ling-Cang, Chen, Xiang-Rong, Wu, Qiang, Jing, Fu-Qian

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 1.10 MB

english, 2009

20

Implementation of LDA+DMFT with the pseudo-potential-plane-wave method

Zhao, Jian-Zhou, Zhuang, Jia-Ning, Deng, Xiao-Yu, Bi, Yan, Cai, Ling-Cang, Fang, Zhong, Dai, Xi

Journal:

Chinese Physics B

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

21

Semi-analytic formulae of impedance spectroscopy in organic layers with Gaussian traps

Xu, Guang-Fu, Sun, Jiu-Xun, Jin, Ke, Cai, Ling-Cang

Journal:

Applied Physics A: Materials Science & Processing

Year:

2014

Language:

english

File:

PDF, 749 KB

english, 2014

22

High Pressure Structural Instability and Thermal Properties of Rutile TiO2 from First-principles

Hu, Cui-e, Zeng, Zhao-yi, Kong, Chun-yang, Cui, Yu-ting, Zhang, Lin, Cai, Ling-cang

Journal:

Chinese Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 335 KB

english, 2014

23

Ab initio study of acoustic velocities in molybdenum under high pressure and high temperature

Zeng, Zhao-Yi, Hu, Cui-E, Liu, Xun, Cai, Ling-Cang, Jing, Fu-Qian

Journal:

Applied Physics Letters

Year:

2011

Language:

english

File:

PDF, 693 KB

english, 2011

24

Elastic and electronic properties of perovskite type superconductor MgCNi 3 under pressure

Zhang, Wei, Chen, Xiang-Rong, Cai, Ling-Cang, Jing, Fu-Qian

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 324 KB

english, 2008

25

Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure

Bo Kong, Xiang-Rong Chen, Ling-Cang Cai, Jun Zhu

Journal:

Physica B: Condensed Matter

Year:

2010

Language:

english

File:

PDF, 363 KB

english, 2010

26

Structures and Equation of State of ∊-Fe under High Pressure

Zhao-Yi, Zeng, Zhong-Li, Liu, Xiang-Rong, Chen, Ling-Cang, Cai, Fu-Qian, Jing

Journal:

Chinese Physics Letters

Year:

2008

Language:

english

File:

PDF, 212 KB

english, 2008

27

Exploration of the fragmentation of laser shock-melted aluminum using x-ray backlighting

Zhang, Lin, Li, Ying-Hua, Li, Xue-Mei, Ye, Xiang-Ping, Zhang, Zu-Gen, Cheng, Jin-Ming, Cai, Ling-Cang

Journal:

Year:

2016

Language:

english

File:

PDF, 4.60 MB

english, 2016

28

Structural stability of FeO 2 in the pressure range of lower mantle

Tang, Mei, Niu, Zhen-Wei, Zhang, Xiu-Lu, Cai, Ling-Cang

Journal:

Journal of Alloys and Compounds

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

29

Thermodynamic properties of OsB under high temperature and high pressure

Hai-Hua Chen, Zuo Li, Yan Cheng, Yan Bi, Ling-Cang Cai

Journal:

Physica B: Condensed Matter

Year:

2011

Language:

english

File:

PDF, 580 KB

english, 2011

30

Ab initio study of phase transition and bulk modulus of NaH

Xiao-Wei Sun, Qi-Feng Chen, Xiang-Rong Chen, Ling-Cang Cai, Fu-Qian Jing

Journal:

Journal of Solid State Chemistry

Year:

2011

Language:

english

File:

PDF, 405 KB

english, 2011

31

Temperature in molybdenum at high shock pressure: Experiment and theory

Xiu-lu Zhang, Zhong-li Liu, Yun-jun Gu, Ling-cang Cai, Fu-qian Jing

Journal:

Physica B: Condensed Matter

Year:

2008

Language:

english

File:

PDF, 447 KB

english, 2008

32

First-Principles Calculations for Thermodynamic Properties of Perovskite-Type Superconductor MgCNi 3

Wei, Zhang, Zhe, Li, Xiang-Rong, Chen, Ling-Cang, Cai, Fu-Qian, Jing

Journal:

Chinese Physics Letters

Year:

2008

Language:

english

File:

PDF, 603 KB

english, 2008

33

First-Principles Calculations of Elastic Constants of Superconducting MgB2

Hua-Zhong, Guo, Xiang-Rong, Chen, Jun, Zhu, Ling-Cang, Cai, Jie, Gao

Journal:

Chinese Physics Letters

Year:

2005

Language:

english

File:

PDF, 233 KB

english, 2005

34

Structural and thermodynamic properties of wurtzite-type aluminium nitride from first-principles calculations

Yong-Liang, Wang, Qiong, Ai, Xiang-Rong, Chen, Ling-Cang, Cai

Journal:

Chinese Physics

Year:

2007

Language:

english

File:

PDF, 391 KB

english, 2007

35

Novel high pressure structures and superconductivity of niobium disulfide

Liu, Zhong-Li, Cai, Ling-Cang, Zhang, Xiu-Lu

Journal:

Journal of Alloys and Compounds

Year:

2014

Language:

english

File:

PDF, 2.35 MB

english, 2014

36

Grüneisen Parameter along Hugoniot and Melting Temperature of ε-Iron: a Result from Thermodynamic Calculations

Hai-Jun, Huang, Fu-Qian, Jing, Ling-Cang, Cai, Yan, Bi

Journal:

Chinese Physics Letters

Year:

2005

Language:

english

File:

PDF, 291 KB

english, 2005

37

Simulated Melting Curve of NaCl up to 200 kbar

Xin-Lu, Cheng, Zi-Jiang, Liu, Ling-Cang, Cai, Fang-Pei, Zhang

Journal:

Chinese Physics Letters

Year:

2003

Language:

english

File:

PDF, 198 KB

english, 2003

38

Pressure effects on structural and elastic properties of BeO from first-principles calculations

Luo, Fen, Guo, Zhi-Cheng, Zhang, Xiu-Lu, Yuan, Chang-Ying, Liu, Cheng-An, Cai, Ling-Cang

Journal:

physica status solidi (b)

Year:

2015

Language:

english

File:

PDF, 449 KB

english, 2015

39

Dumbbell silicene: a strain-induced room temperature quantum spin Hall insulator

Zhang, Tian, Zeng, Zhao-Yi, Cheng, Yan, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

New Journal of Physics

Year:

2016

Language:

english

File:

PDF, 1.81 MB

english, 2016

40

Ab initio investigation of possible candidate structures and properties of water cluster (H2O)7+ via particle swarm optimization method

Li, Guo-Jun, Hu, Cui-E, Tang, Mei, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 1.74 MB

english, 2017

41

Ab initio dynamical stability of tungsten at high pressures and high temperatures

Zhang, Huai-Yong, Niu, Zhen-Wei, Cai, Ling-Cang, Chen, Xiang-Rong, Xi, Feng

Journal:

Computational Materials Science

Year:

2018

Language:

english

File:

PDF, 552 KB

english, 2018

42

Structural stabilities of iron silicides at high pressures and temperatures

Niu, Zhen-Wei, Tang, Mei, Cai, Ling-Cang

Journal:

International Journal of Modern Physics B

Year:

2020

File:

PDF, 791 KB

2020

43

Phase transition and thermodynamic properties of CaF2 via first principles

Qi, Yuan-Yuan, Cheng, Yan, Liu, Min, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Physica B: Condensed Matter

Year:

2013

Language:

english

File:

PDF, 472 KB

english, 2013

44

High pressure phase transition of Ce–La alloy from first-principles calculations

Zeng, Zhao-Yi, Hu, Cui-E., Li, Zhi-Guo, Zhang, Wei, Cai, Ling-Cang

Journal:

Journal of Alloys and Compounds

Year:

2015

Language:

english

File:

PDF, 578 KB

english, 2015

45

Thermoelasticity of CaO from first principles

Zi-Jiang, Liu, Jian-Hong, Qi, Yuan, Guo, Qi-Feng, Chen, Ling-Cang, Cai, Xiang-Dong, Yang

Journal:

Chinese Physics

Year:

2007

Language:

english

File:

PDF, 950 KB

english, 2007

46

Ab initio Predictions of Structural and Thermodynamic Properties of Zr2AlC Under High Pressure and High Temperature

Luo, Fen, Guo, Zhi-cheng, Zhang, Xiu-lu, Yuan, Chang-ying, Cai, Ling-cang

Journal:

Chinese Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 670 KB

english, 2015

47

Simulation of Ab Initio Molecular Dynamics of Shock Wave on Copper

Lin, Zhang, Ling-Cang, Cai, Shi-Kai, Xiang, Fu-Qian, Jing, Dong-Quan, Chen

Journal:

Chinese Physics Letters

Year:

2003

Language:

english

File:

PDF, 200 KB

english, 2003

48

Predicted low thermal conductivities in antimony films and the role of chemical functionalization

Zhang, Tian, Qi, Yuan-Yuan, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.33 MB

english, 2016

49

First-Principles Investigations on Structural, Elastic, Dynamical, and Thermal Properties of Earth-Abundant Nitride Semiconductor CaZn2N2 under Pressure

Zhao, Ying-Qin, Hu, Cui-E., Liu, Lei, Cheng, Yan, Cai, Ling-Cang

Journal:

Zeitschrift für Naturforschung A

Year:

2017

Language:

english

File:

PDF, 1.55 MB

english, 2017

50

Structural relative stabilities and pressure-induced phase transitions for lanthanide trihydrides REH3 (RE=Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu)

Bo Kong, Lin Zhang, Xiang-Rong Chen, Ti-Xian Zeng, Ling-Cang Cai

Journal:

Physica B: Condensed Matter

Year:

2012

Language:

english

File:

PDF, 410 KB

english, 2012

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