Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 18, 2012, Pages

  Sadigh, Babak ^a   Erhart, Paul ^a,b   Stukowski, Alexander ^a   Caro, Alfredo ^a,c   Martinez, Enrique ^a,c   Zepeda Ruiz, Luis ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84861141307     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.184203     Document Type: Article

References (22)

1. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, London, 2001).
2. M. S. Daw and M. I. Baskes, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.29.6443 29, 6443 (1984).
3. J. Tersoff, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.56.632 56, 632 (1986).
4. F. H. Stillinger and T. A. Weber, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.31.5262 31, 5262 (1985).
5. J. H. Hetherington, J. Low Temp. Phys. JLTPAC 0022-2291 10.1007/BF00681817 66, 145 (1987).
6. R. S. Johal, A. Planes, and E. Vives, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.68.056113 68, 056113 (2003).
7. S. Plimpton, J. Comp. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995).
8. T. L. Hill, Thermodynamics of Small Systems (Dover, 2002).
9. B. Sadigh and P. Erhart, e-print arXiv: 1012.5082 [cond-mat].
10. [www.mcs.anl.gov/mpi].
11. L. A. Zepeda-Ruiz, G. H. Gilmer, B. Sadigh, A. Caro, T. Oppelstrup, and A. V. Hamza, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2137871 87, 231904 (2005). (Pubitemid 41741058)
12. P. Erhart, J. Marian, and B. Sadigh (unpublished).
13. P. Erhart, A. Caro, M. Serrano de Caro, and B. Sadigh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.134206 77, 134206 (2008).
14. A. Caro, J. Hetherly, A. Stukowski, M. Caro, E. Martinez, S. Srivilliputhur, L. Zepeda-Ruiz, and M. Nastasi, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2011.07.010 418, 261 (2011).
15. P. J. Othen, M. L. Jenkins, G. D. W. Smith, and W. J. Phythian, Phil. Mag. Lett. PMLEEG 0950-0839 10.1080/09500839108215121 64, 383 (1991).
16. J. J. Blackstock and G. J. Ackland, Phil. Mag. A PMAADG 0141-8610 10.1080/01418610108217139 81, 2127 (2001).
17. M. Ludwig, D. Farkas, D. Pedraza, and S. Schmauder, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/6/1/003 6, 19 (1998).
18. R. C. Pasianot and L. Malerba, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2006.09.008 360, 118 (2007). (Pubitemid 44969400)
19. G. Simonelli, R. Pasianot, and E. J. Savino, Mater. Res. Soc. Symp. Proc. 1946-4274 10.1557/PROC-291-567 291, 567 (1993).
20. A. F. Voter, Los Alamos National Laboratory Unclassified Technical Report 93-3901, 1993 (unpublished).
21. M. I. Mendelev, S. Han, D. J. Srolovitz, G. J. Ackland, D. Y. Sun, and M. Asta, Phil. Mag. 1478-6435 10.1080/14786430310001613264 83, 3977 (2003).
22. Y. Mishin, M. J. Mehl, D. A. Papaconstantopoulos, A. F. Voter, and J. D. Kress, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.63.224106 63, 224106 (2001).