Please wait a minute...
Chin. Phys. B, 2011, Vol. 20(8): 080508    DOI: 10.1088/1674-1056/20/8/080508
GENERAL Prev   Next  

Five-parameter equation of state for solids correctly incorporating cohesive energy data

Tian Rong-Gang(田荣刚) and Sun Jiu-Xun(孙久勋)
Department of Applied Physics, University of Electronic Science and Technology, Chengdu 610054, China
Abstract  A five-parameter equation of state (EOS) is proposed to correctly incorporate the cohesive energy data in it without physically incorrect oscillations. The proposed EOS is applied to 10 selected metals. It is shown that the calculated compression curves are in good accordance with the experimental data. The values of the bulk modulus and its derivative with respect to pressure extracted from the proposed EOS remain almost unchanged while the data range used is varied.
Keywords:  equation of state      cohesive energy      physically incorrect oscillations  
Received:  25 November 2010      Revised:  01 April 2011      Accepted manuscript online: 
PACS:  05.70.Ce (Thermodynamic functions and equations of state)  
  64.30.Ef (Equations of state of pure metals and alloys)  
  62.50.-p (High-pressure effects in solids and liquids)  
Fund: Project supported by the Joint Fund of National Natural Science Foundation of China and China Academy of Engineering Physics (Grant No. 10876008), the New Century Excellent Researcher Award Program from the Educational Ministry of China (Grant No. NCET-05-0799), and the Academic Excellence of University of Electronic Science and Technology of China (Grant No. 23601008).

Cite this article: 

Tian Rong-Gang(田荣刚) and Sun Jiu-Xun(孙久勋) Five-parameter equation of state for solids correctly incorporating cohesive energy data 2011 Chin. Phys. B 20 080508

[1] Qin T, Drautz R and Pettifor D G 2008 Phys. Rev. B 77 220103 (R)
[2] Qin T, Drautz R and Pettifor D G 2008 Phys. Rev. B 78 214108
[3] Wang L G, Sun J X and Yang W 2008 Chin. Phys. B 17 2867
[4] Huang Z F, Ou C J and Chen J C 2009 Chin. Phys. B 18 1380
[5] Sun X W, Liu Z J, Chen Q F, Song T and Wang C W 2009 Chin. Phys. B 18 5001
[6] Chantasiriwan S and Milstein F 1998 Phys. Rev. B 58 5996
[7] Baskes M I 2000 Phys. Rev. B 62 15532
[8] Rose J H, Smith J R and Guinea F 1984 Phys. Rev. B 29 2963
[9] Vinet P, Smith J R, Ferrante J and Rose J H 1987 Phys. Rev. B 35 1945
[10] Stacey F D, Brennan B J and Irvine R D 1981 Geophys. Surveys 4 189
[11] Baonza V G, Taravillo M, Caceres M and Nunez J 1996 Phys. Rev. B 53 5252
[12] Kuchhal P, Kumar R and Dass N 1997 Phys. Rev. B 55 8042
[13] Holzapfel W B 2003 Phys. Rev. B 67 026102
[14] Sun J X, Wu Q, Cai L C and Jing F Q 2006 Physica B 371 257
[15] Li J H, Dai X D, Liang S H, Tai K P, Kong Y and Liu B X 2008 Phys. Rep. 455 1
[16] Li J H, Liang S H, Guo H B and Liu B X 2005 Appl. Phys. Lett. 87 194111
[17] Stacey F D 1995 Phys. Earth Planet. Inter. 89 219
[18] Stacey F D and Davis P M 2004 Phys. Earth Planet. Inter. 142 137
[19] Stacey F D 2005 Rep. Prog. Phys. 68 341
[20] Hixon R and Fritz J N 1992 J. Appl. Phys. 71 1721
[21] Kennedy G C and Keeler R N 1972 American Institute of Physics Handbook 3rd edn. (New York: McGraw-Hill) p. 438
[1] A high-pressure study of Cr3C2 by XRD and DFT
Lun Xiong(熊伦), Qiang Li(李强), Cheng-Fu Yang(杨成福), Qing-Shuang Xie(谢清爽), Jun-Ran Zhang(张俊然). Chin. Phys. B, 2020, 29(8): 086401.
[2] Equation of state for aluminum in warm dense matter regime
Kun Wang(王坤), Dong Zhang(张董), Zong-Qian Shi(史宗谦), Yuan-Jie Shi(石元杰), Tian-Hao Wang(王天浩), Yue Zhang(张阅). Chin. Phys. B, 2019, 28(1): 016401.
[3] Equation of state of LiCoO2 under 30 GPa pressure
Yong-Qing Hu(户永清), Lun Xiong(熊伦), Xing-Quan Liu(刘兴泉), Hong-Yuan Zhao(赵红远), Guang-Tao Liu(刘广涛), Li-Gang Bai(白利刚), Wei-Ran Cui(崔巍然), Yu Gong(宫宇), Xiao-Dong Li(李晓东). Chin. Phys. B, 2019, 28(1): 016402.
[4] Shock temperature and reflectivity of precompressed H2O up to 350 GPa:Approaching the interior of planets
Zhi-Yu He(贺芝宇), Hua Shu(舒桦), Xiu-Guang Huang(黄秀光), Qi-Li Zhang(张其黎), Guo Jia(贾果), Fan Zhang(张帆), Yu-Chun Tu(涂昱淳), Jun-Yue Wang(王寯越), Jun-Jian Ye(叶君建), Zhi-Yong Xie(谢志勇), Zhi-Heng Fang(方智恒), Wen-Bing Pei(裴文兵), Si-Zu Fu(傅思祖). Chin. Phys. B, 2018, 27(12): 126202.
[5] High-pressure synchrotron x-ray diffraction and Raman spectroscopic study of plumbogummite
Duan Kang(康端), Xiang Wu(巫翔), Guan Yuan(袁冠), Sheng-Xuan Huang(黄圣轩), Jing-Jing Niu(牛菁菁), Jing Gao(高静), Shan Qin(秦善). Chin. Phys. B, 2018, 27(1): 017402.
[6] Pressure-induced phase transition of B-type Y2O3
Qian Zhang(张倩), Xiang Wu(巫翔), Shan Qin(秦善). Chin. Phys. B, 2017, 26(9): 090703.
[7] Equation of state for warm dense lithium: A first principles investigation
Feiyun Long(龙飞沄), Haitao Liu(刘海涛), Dafang Li(李大芳), Jun Yan(颜君). Chin. Phys. B, 2017, 26(6): 065101.
[8] Measurement of transient Raman spectrum on gas-gun loading platform and its application in liquid silane
Yi-Gao Wang(汪贻高), Fu-Sheng Liu(刘福生), Qi-Jun Liu(刘其军), Wen-Peng Wang(王文鹏), Ming-Jian Zhang(张明建), Feng Xi(习锋), Ling-Cang Cai(蔡灵仓), Ning-Chao Zhang(张宁超). Chin. Phys. B, 2017, 26(10): 103301.
[9] Anomalous behavior and phase transformation of α -GaOOH nanocrystals under static compression
Zhao Zhang(张钊), Hang Cui(崔航), Da-Peng Yang(杨大鹏), Jian Zhang(张剑), Shun-Xi Tang(汤顺熙), Si Wu(吴思), Qi-Liang Cui(崔啟良). Chin. Phys. B, 2017, 26(10): 106402.
[10] Unreacted equation of states of typical energetic materials under static compression: A review
Zhaoyang Zheng(郑朝阳), Jijun Zhao(赵纪军). Chin. Phys. B, 2016, 25(7): 076202.
[11] Structure phase transformation and equation of state of cerium metal under pressures up to 51 GPa
Ce Ma(马策), Zuo-Yong Dou(窦作勇), Hong-Yang Zhu(祝洪洋), Guang-Yan Fu(付广艳), Xiao Tan(谈笑), Bin Bai(白彬), Peng-Cheng Zhang(张鹏程), Qi-Liang Cui(崔啟良). Chin. Phys. B, 2016, 25(4): 046401.
[12] γ-and α-Ce phase diagram: First-principle calculation
Lin Zhang(张林), Ying-Hua Li(李英华), Xue-Mei Li(李雪梅), Zu-Gen Zhang(张祖根), Xiang-Ping Ye(叶想平), Ling-Cang Cai(蔡灵仓). Chin. Phys. B, 2016, 25(3): 033102.
[13] A modified equation of state for Xe at high pressures by molecular dynamics simulation
Xiao Hong-Xing (肖红星), Long Chong-Sheng (龙冲生). Chin. Phys. B, 2014, 23(2): 020502.
[14] An in situ high-pressure X-ray diffraction experiment of hydroxyapophyllite
Fan Da-Wei (范大伟), Wei Shu-Yi (魏舒怡), Xie Hong-Sen (谢鸿森). Chin. Phys. B, 2013, 22(1): 010702.
[15] Equation of state for solids with considering cohesive energy and anharmonic effect and its application to MgO
Zhang Da (张达), Sun Jiu-Xun (孙久勋 ). Chin. Phys. B, 2012, 21(8): 080508.
No Suggested Reading articles found!