Mesoscale kinetics produces martensitic microstructure

Journal of the Mechanics and Physics of Solids

Volumn 57, Issue 1, 2009, Pages 109-121

  Kastner, Oliver ^a   Ackland, Graeme J ^b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

Martensitic transformation; Microstructure; Molecular dynamics; Transformation dynamics; Twinning

Indexed keywords

AUSTENITE; DYNAMICS; INTERFACIAL ENERGY; MARTENSITE; MICROSTRUCTURE; MOLECULAR DYNAMICS; NUCLEATION; PHASE INTERFACES; QUANTUM CHEMISTRY; WEAR RESISTANCE;

CRYSTALLOGRAPHIC THEORIES; DO-MAINS; DYNAMICAL INTERPRETATIONS; HEXAGONAL LATTICES; INERTIA FORCES; LATTICE MISFITS; LATTICE SITES; LENNARD-JONES POTENTIALS; MARTENSITE MORPHOLOGIES; MARTENSITE PLATES; MARTENSITIC MICROSTRUCTURES; MARTENSITIC PHASE TRANSFORMATIONS; MARTENSITIC VARIANTS; MD SIMULATIONS; MESOSCALE; MESOSCOPIC; MORPHO-LOGIES; SECONDARY NUCLEATIONS; SQUARE LATTICES; TRANSFORMATION DYNAMICS; TRANSFORMATION ZONES;

MARTENSITIC TRANSFORMATIONS;

EID: 56949099963     PISSN: 00225096     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmps.2008.09.016     Document Type: Article

References (51)

1. Abeyaratne R., and Knowles J.K. Kinetic relations and the propagation of phase boundaries in solids. Arch. Ration. Mech. Anal. 114 (1991) 119-154
2. Abeyaratne R., and Knowles J.K. Dynamics of propagating phase boundaries: thermoelastic solids with heat conduction. Arch. Ration. Mech. Anal. 126 (1994) 203-230
3. Ackland G.J. Simulation of martensite microstructure. J. Mater. Sci. 40 (2005) 3205-3208
4. Ball J.M., and James R.D. Fine phase mixtures as minimizers of energy. Arch. Ration. Mech. Anal. 100 1 (1987) 13-52
5. Becquart C.S., Clapp P.C., and Rifkin J.A. Molecular-dynamics simulation of tweed structure and the omega-phase in Ni-Al. Phys. Rev. B 48 1 (1993)
6. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., DiNola A., and Haak J.R. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 81 8 (1984) 3684-3690
7. Bhattacharya K. Microstructure of Martensite-Why It Forms and How It Gives Rise to the Shape-Memory Effect (2003), Oxford University Press, Oxford
8. Bos C., Sietsma J., and Thijsse B.J. Molecular dynamics simulation of interface dynamics during the fcc-bcc transformation of a martensitic nature. Phys. Rev. B 73 (2006)
9. Bowles J.S., and Mackenzie J.K. The crystallography of martensite transformations i. Acta Metall. 2 (1954) 129-137
10. Bowles J.S., and Mackenzie J.K. The crystallography of martensite transformations ii. Acta Metall. 2 (1954) 138-147
11. Cahn J.W., and Hilliard J.E. Free energy of a nonuniform system, i. Interfacial free energy. J. Chem. Phys. 28 (1958) 258-267
12. Carr J., Gurtin M.E., and Slemrod M. Structured phase transition on a finite interval. Arch. Ration. Mech. Anal. 86 (1984) 317-351
13. Cheung K.S., Harrison R.J., and Yip S. Stress induced martensitic transformation in a molecular dynamics model of α-iron. J. Appl. Phys. 71 8 (1992) 4009-4014
14. Christian, J.W., 2002. The Theory of Transformations in Metals and Alloys, vols. I, II. Pergamon, Amsterdam.
15. Clapp, P.C., Rifkin, J., 1982. Nucleation of a martensite in a computer. In: Proceedings of the International Conference on Solid-Solid Phase Transformations, Warrendale, PA, TMS-AIME, pp. 1165-1169.
16. Elliott R.S., Shaw J.A., and Triantafyllidis N. Stability of thermally-induced martensitic transformations in bi-atomic crystals. J. Mech. Phys. Solids 50 (2002) 2463-2493
17. Entel P., Meyer R., Kadau K., Herper H.C., and Hoffmann E. Martensitic transformations: first-principles calculations combined with molecular-dynamics simulations. Eur. Phys. J. B 5 3 (1998) 379-388
18. Entel P., Meyer R., Kadau K., Herper H.C., Acet M., and Wassermann E.F. Numerical simulation of martensitic transformations in magnetic transition-metal alloys. J. Magn. Magn. Mater. 1409 (1998) 177-181
19. Fonseca, I., 1989. The gradient theory of phase transitions for systems with two potential wells. Proc. R. Soc. Edinburgh (111A), 89-102.
20. Frenkel, D., Smit, B., 1996. Understanding Molecular Simulation. From Algorithms to Applications. Academic Press, San Diego.
21. Grujicic M., and Dang P. Computer simulation of martensitic transformation in Fe-Ni face-centered cubic alloys. Mater. Sci. Eng. A 201 (1995) 194-204
22. Grujicic M., and Dang P. Atomic-scale analysis of martensitic transformation in titanium alloyed with vanadium. 1. Verification of the embedded-atom method model. Mater. Sci. Eng. A 205 1-2 (1996) 139-152
23. Hildebrand F.E., and Abeyaratne R. An atomistic investigation of the kinetics of detwinning. J. Mech. Phys. Solids 56 4 (2008) 1296-1319
24. Huo Y., and Müller I. Interfacial and inhomogeneity penalties in phase transitions. Continuum Mech. Thermodyn. 15 (2003) 395-407
25. James R.D., and Rizzoni R. Piecewise rigid body mechanics. J. Nonlinear Sci. 13 (2003) 65-114
26. Kadau K., Germann T.C., Lomdahl P.S., and Holian B.L. Microscopic view of structural phase transitions induced by shock waves. Science 296 5573 (2002) 1681-1684
27. Kastner O. Molecular dynamics of a 2d model of the shape memory effect. Part I: model and simulations. Continuum Mech. Thermodyn. 15 5 (2003) 487-502
28. Kastner O. Molecular dynamics of a 2d model of the shape memory effect. Part II: thermodynamics of a small system. Continuum Mech. Thermodyn. 18 1-2 (2006) 63-81
29. Khachaturyan A.G. Theory of Structural Transformations in Solids (1983), Wiley, New York
30. Kim E., Nicol M., Cynn H., and Yoo C.S. Martensitic fcc-to-hcp transformations in solid xenon under pressure: a first-principles study. Phys. Rev. Lett. 96 3 (2006)
31. Li B., Zhang X.M., Clapp P.C., and Rifkin J.A. Molecular dynamics simulations of the effects of defects on martensite nucleation. J. Appl. Phys. 95 4 (2004) 1698-1705
32. Mendelev M.I., and Ackland G.J. Development of an interatomic potential appropriate for simulation of phase transformations in zirconium. Philos. Mag. Lett. 87 (2007) 349-359
33. x studied by molecular-dynamic simulations. Phys. Rev. B 57 9 (1998) 5140-5147
34. Modica L. Gradient theory of phase transitions and minimal interface criteria. Arch. Ration. Mech. Anal. 98 2 (1987) 132-142
35. Otsuka, K., Wayman, C.M. (Eds.), 1998. Shape Memory Materials. Cambridge University Press, Cambridge.
36. Pinsook U. Molecular dynamics study of vibrational entropy in bcc and hcp zirconium. Phys. Rev. B 66 024109 (2002)
37. Pinsook U., and Ackland G.J. Simulation of martensitic microstructural evolution in zirconium. Phys. Rev. B 58 17 (1998) 11251-11257
38. Pinsook U., and Ackland G.J. Atomistic simulation of shear in a martensitic twinned microstructure. Phys. Rev. B 62 9 (2000) 5427-5434
39. Potapov P.L., Ochin P., Pons J., and Schryvers D. Nanoscale inhomogeneities in melt-spun Ni-Al. Acta Mater. 48 (2000) 3833-3845
40. Rubini S., and Ballone P. Quasi-harmonic and molecular-dynamics study of the martensitic-transformation in Ni-Al alloys. Phys. Rev. B 48 1 (1993) 99-111
41. Saitoh K., Sato T., and Shinke N. Atomic dynamics and energetics of martensitic transformation in nickel-titanium shape memory alloy. Mater. Trans. 47 3 (2006) 742-749
42. Shao Y., Clapp P.C., and Rifkin J.A. Molecular dynamics simulation of martensitic transformations in NiAl. Metall. Mater. Trans. A 27A (1996) 1477-1489
43. Truskinovsky L.M. Dynamics of non-equilibrium phase boundaries in a heat conducting non-linearly elastic medium. J. Appl. Math. Mech. (PMM) 53 (1987) 777-784
44. Truskinovsky L., and Zanzotto G. Finite-scale microstructures and metastability in one-dimensional elasticity. Meccanica 30 (1995) 577-589
45. Wang Y., and Khachaturyan A.G. Three-dimensional field model and computer modeling of martensitic transformations. Acta Mater. 45 2 (1997) 759-773
46. Wayman C.M. Introduction to the Crystallography of Martensitic Transformations (1964), The MacMillan Company, New York
47. Wechsler M.S., Lieberman D.S., and Read T.A. On the theory of the formation of martensite. Trans. Am. Inst. Mining Metall. Eng. 197 11 (1953) 1503-1515
48. Willaime F., and Massobrio C. Development of an n-body interatomic potential for hcp and bcc zirconium. Phys. Rev. B 43 14 (1991) 11653-11665
49. van der Waals J.D. The thermodynamic theory of capillarity under the hypothesis of a continuous variation of density. J. Stat. Phys. 20 2 (1979) 200-244 (Translation of the original work from 1893 by J.S. Robinson)
50. 〈http://www.ph.ed.ac.uk/cmatter/gja/Mart/suppl_information/〉. Supplementary information, internet resource.
51. 〈http://www.epcc.ed.ac.uk〉. Edinburgh Parallel Computing Centre, internet resource.