Molecular dynamics simulation of self-diffusion coefficients for liquid metals
The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics meth ods based on the embedded-atom-method （EAM） potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion co...
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| Published in | Chinese physics B Vol. 22; no. 8; pp. 365 - 368 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
01.08.2013
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1674-1056 2058-3834 1741-4199 |
| DOI | 10.1088/1674-1056/22/8/083101 |
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| Abstract | The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics meth ods based on the embedded-atom-method （EAM） potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the litera ture vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes-Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. |
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| AbstractList | The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes-Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics meth ods based on the embedded-atom-method （EAM） potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the litera ture vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes-Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. |
| Author | 巨圆圆 张庆明 龚自正 姬广富 |
| AuthorAffiliation | tate Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 10008 I, China National Key Laboratory of Science and Technology on Reliability and Environment Engineering, Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics,China Academy of F.ngineering Physics, Mianyang 621900, China |
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| Cites_doi | 10.1103/PhysRevB.42.9682 10.1088/1674-1056/19/8/088701 10.1103/PhysRevE.55.5535 10.1088/1674-1056/19/7/076501 10.1088/1674-1056/19/8/086104 10.1103/PhysRevB.72.132204 10.1016/S1359-6454(01)00287-7 10.1007/978-3-540-71488-0 10.1533/9781845690144 10.1103/PhysRevB.63.224106 10.1016/j.matchemphys.2005.03.048 10.1103/PhysRevB.81.012102 10.1103/PhysRevLett.100.215901 10.1088/1674-1056/21/4/045103 10.1088/1674-1056/20/10/106601 10.1063/1.3467496 10.1016/S0301-0104(99)00345-6 10.1088/1674-1056/20/1/016801 10.1088/1674-1056/18/10/081 10.1088/1674-1056/21/8/083102 10.1016/S0378-3812(00)00497-0 10.1016/S0039-6028(96)01154-5 10.1080/14786430802206482 10.1039/b006807l 10.1209/0295-5075/26/8/005 10.1063/1.2149380 10.1103/PhysRevB.43.4653 10.1088/0965-0393/18/7/074001 |
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| DocumentTitleAlternate | Molecular dynamics simulation of self-diffusion coefficients for liquid metals |
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| Notes | molecular dynamics, self-diffusion coefficients, shear-viscosity, liquid metals 11-5639/O4 Ju Yuan-Yuan, Zhang Qing-Ming, Gong Zi-Zheng, and Ji Guang-Fu State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 10008 I, China b ） National Key Laboratory of Science and Technology on Reliability and Environment Engineering, Beijing Institute of Spacecraft Environment Engineering, Beijing 100094, China C）Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics meth ods based on the embedded-atom-method （EAM） potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the litera ture vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes-Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
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| References | 22 24 Barfield R N (33) 1955; 180 Iida T (10) 1988 26 Zhu R Z (8) 2011; 20 27 28 29 Ercolessi F (25) 1994; 26 Cavalier M G (32) 1959; 2 Arsent'ev P P (30) 1977; 2 Kargl F (23) 2012; 340 Asad A (17) 2011; 20 Yan H (14) 2012; 21 Wang H F (7) 2010; 19 31 Li H (19) 2000; 17 11 12 34 Khasare S B (16) 2012; 21 18 1 Mehrer H (9) 2007 2 Li Y D (6) 2010; 19 3 4 5 Fujimoto S (15) 2010; 19 Becker C A (20) 2010; 18 Chen Z H (13) 2009; 18 21 |
| References_xml | – ident: 1 doi: 10.1103/PhysRevB.42.9682 – volume: 19 start-page: 088701 issn: 1674-1056 year: 2010 ident: 15 publication-title: Chin. Phys. doi: 10.1088/1674-1056/19/8/088701 – ident: 2 doi: 10.1103/PhysRevE.55.5535 – volume: 19 start-page: 076501 issn: 1674-1056 year: 2010 ident: 7 publication-title: Chin. Phys. doi: 10.1088/1674-1056/19/7/076501 – volume: 19 start-page: 086104 issn: 1674-1056 year: 2010 ident: 6 publication-title: Chin. Phys. doi: 10.1088/1674-1056/19/8/086104 – ident: 24 doi: 10.1103/PhysRevB.72.132204 – ident: 27 doi: 10.1016/S1359-6454(01)00287-7 – year: 1988 ident: 10 publication-title: The Physical Properties of Liquid Metals – volume: 17 start-page: 123 year: 2000 ident: 19 publication-title: J. At. Mol. Phys. – year: 2007 ident: 9 publication-title: Diffusion in Solids doi: 10.1007/978-3-540-71488-0 – ident: 31 doi: 10.1533/9781845690144 – ident: 26 doi: 10.1103/PhysRevB.63.224106 – volume: 2 year: 1959 ident: 32 – volume: 180 start-page: 324 year: 1955 ident: 33 publication-title: J. Iron Steel Inst. – ident: 5 doi: 10.1016/j.matchemphys.2005.03.048 – volume: 340 start-page: 012077 year: 2012 ident: 23 – ident: 28 doi: 10.1103/PhysRevB.81.012102 – ident: 4 doi: 10.1103/PhysRevLett.100.215901 – volume: 21 start-page: 045103 issn: 1674-1056 year: 2012 ident: 16 publication-title: Chin. Phys. doi: 10.1088/1674-1056/21/4/045103 – volume: 2 start-page: 65 issn: 0568-5303 year: 1977 ident: 30 publication-title: Izv. Akad. Nauk. SSSR Met. – volume: 20 start-page: 106601 issn: 1674-1056 year: 2011 ident: 17 publication-title: Chin. Phys. doi: 10.1088/1674-1056/20/10/106601 – ident: 34 doi: 10.1063/1.3467496 – ident: 3 doi: 10.1016/S0301-0104(99)00345-6 – volume: 20 start-page: 016801 issn: 1674-1056 year: 2011 ident: 8 publication-title: Chin. Phys. doi: 10.1088/1674-1056/20/1/016801 – volume: 18 start-page: 4591 issn: 1674-1056 year: 2009 ident: 13 publication-title: Chin. Phys. doi: 10.1088/1674-1056/18/10/081 – volume: 21 start-page: 083102 issn: 1674-1056 year: 2012 ident: 14 publication-title: Chin. Phys. doi: 10.1088/1674-1056/21/8/083102 – ident: 12 doi: 10.1016/S0378-3812(00)00497-0 – ident: 21 doi: 10.1016/S0039-6028(96)01154-5 – ident: 22 doi: 10.1080/14786430802206482 – ident: 11 doi: 10.1039/b006807l – volume: 26 start-page: 583 issn: 0295-5075 year: 1994 ident: 25 publication-title: Europhys. Lett. doi: 10.1209/0295-5075/26/8/005 – ident: 29 doi: 10.1063/1.2149380 – ident: 18 doi: 10.1103/PhysRevB.43.4653 – volume: 18 start-page: 074001 issn: 0965-0393 year: 2010 ident: 20 publication-title: Modelling Simul. Mater. Sci. Eng. doi: 10.1088/0965-0393/18/7/074001 |
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| Snippet | The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics meth ods based on the embedded-atom-method... The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM)... |
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| SubjectTerms | Activation energy Arrhenius Employment Fittings Inverse Liquid metals Logarithms Molecular dynamics Simulation 分子动力学方法 分子动力学模拟 消耗臭氧层物质 液态金属 温度变化 爱因斯坦关系 自扩散系数 |
| Title | Molecular dynamics simulation of self-diffusion coefficients for liquid metals |
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