Computing the mobility of grain boundaries

Nature Materials

Volumn 5, Issue 2, 2006, Pages 124-127

  Janssens, Koenraad G F ^a,b   Olmsted, David ^a   Holm, Elizabeth A ^a   Foiles, Stephen M ^a   Plimpton, Steven J ^a   Derlet, Peter M ^c  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b ETH ZURICH   (Switzerland)

^c PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; COMPUTER SIMULATION; CRYSTAL ORIENTATION; MOLECULAR DYNAMICS;

FLAT BOUNDARIES; LOW-ANGLE BOUNDARIES; MISORIENTATIONS; SYMMETRIC BOUNDARIES;

GRAIN BOUNDARIES;

EID: 31744441757     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: None     Document Type: Article

References (26)

1. Zhang, H., Mendelev, M. I. & Srolovitz, D. J. Computer simulation of the elastically driven migration of a flat grain boundary. Acta Mater. 52, 2569-2576 (2004).
2. Huang, Y. & Humphreys, F. J. Measurements of grain boundary mobility during recrystallization of a single-phase aluminium alloy. Acta Mater. 47, 2259-2268 (1999).
3. Winning, M., Gottstein, G. & Shvindlerman, L. S. On the mechanisms of grain boundary migration. Acta Mater. 50, 353-363 (2002).
4. Upmanyu, M., Srolovitz, D. J., Shvindlerman, L. S. & Gottstein, G. Molecular dynamics simulation of triple junction migration. Acta Mater. 50, 1405-1420 (2002).
5. Zhang, H., Upmanyu, M. & Srolovitz, D. J. Curvature driven grain boundary migration in aluminum: molecular dynamics simulations. Acta Mater. 53, 79-86 (2005).
6. Adams, B. L., Kinderlehrer, D., Mullins, W. W., Rollett, A. D. & Ta'asan, S. Extracting the relative grain boundary free energy and mobility Functions from the geometry of microstructures. Scripta Mater. 38, 531-536 (1998).
7. Saylor, D. M., Morawiec, A. & Rohrer, G. S. The relative free energies of grain boundaries in magnesia as a function of five macroscopic parameters. Acta Mater. 51, 3675-3868 (2003).
8. Janssens, K. G. F. Three dimensional space-time coupled cellular automata for the simulation of recrystallization and grain growth. Model. Simul. Mater. Sci. 11, 157-171 (2003).
9. Anderson, P., Grest, G. S. & Srolovitz, D. J. Computer simulation of normal grain growth in three dimensions. Phil Mag. B 59, 293-329 (1989).
10. Rollett, A. D. & Raabe, D. A hybrid model for mesoscopic simulation of recrystallization. Comp. Mater. Sci. 21, 69-78 (2001).
11. Krill, C. E. III & Chen, L. Q. Computer simulation of 3-D grain growth using a phase-field model. Acta Mater. 50, 3057-3073 (2002).
12. Kuprat, A., George, D., Straub, G. & Demirel, M. C. Modeling micro structure evolution in three dimensions with Grain3D and LaGriT. Comp. Mater. Sci. 28, 199-208 (2003).
13. Raabe, D., Roters, F., Barlat, F. & Chen, L.-Q. Continuum Scale Simulation of Engineering Materials: Fundamentals - Microstructures - Process Applications (Wiley-VCH, Weinheim, 2004).
14. Sethian, J. A. Level Set Methods and Fast Marching Methods (Cambridge Univ. Press, Cambridge, 2002).
15. Van Swygenhoven, H., Farkas, D. & Caro, A. Grain boundary structures in polycrystalline metals at the nanoscale. Phys. Rev. B 62, 831-838 (2000).
16. Schonfelder, B., Wolf, D., Phillpot, S. R. & Furtkamp, M. Molecular-dynamics method for the simulation of grain-boundary migration. Interface Sci. 5, 245-262 (1997).
17. Ercolessi, F. & Adams, J. B. Interatomic potentials from 1st principles calculations - the force matching method. Europhys. Lett. 26, 583-588 (1994).
18. Plimpton, S. J. Fast parallel algorithms for short-range molecular dynamics. J. Comp. Phys. 117, 1-19 (1995).
19. http://www.cs.sandia.gov/~sjplimp/lammps.html.
20. Gottstein, G. & Shvindlerman, L. S. Grain Boundary Migration in Metals: Thermodynamics, Kinetics, Applications (CRC Boca Raton, Florida, 1999).
21. Humphreys, F. J. & Hatherly, M. Recrystallization and Related Annealing Phenomena (Pergamon, Oxford, 1996).
22. Palumbo, G., Lehockey, E. M. & Lin, P. Applications for grain boundary engineered materials. JOM 50, 40-43 (1998).
23. Liebmann, B., Lücke, K., Graham, C. D., Cahn, R. W. & Dunn, C. G. Grain growth rates and orientation relationships in the recrystallization of aluminum single crystals. Trans. AIME 206, 1413-1416 (1956).
24. Gleiter, H. The mechanism of grain boundary migration. Acta Metall. 17, 565-573 (1969).
25. Gleiter, H. Theory of grain boundary migration rate. Acta Metall. 17, 853-862(1969).
26. Shvindlerman, L. S., Gottstein, G. & Molodov, D. A. Grain boundary motion in pure metals: effect of interaction between adsorbed atoms at moving boundaries. Phys. Status Solidi A 160, 419-429 (1997).