An atomistic investigation of the kinetics of detwinning

Journal of the Mechanics and Physics of Solids

Volumn 56, Issue 4, 2008, Pages 1296-1319

  Hildebrand, Felix E ^a   Abeyaratne, Rohan ^b  

^a Institute of Mechanical Systems (IMES)   (Switzerland)

^b Massachusetts Institute of Technology   (United States)

Author keywords

Atomistic; Kinetic relation; Ledge; Shape memory; Twinning

Indexed keywords

CONTINUUM DAMAGE MECHANICS; FEATURE EXTRACTION; MOLECULAR INTERACTIONS; NUMERICAL METHODS; SHAPE MEMORY EFFECT;

DETWINNING; FIRST PRINCIPLES ATOMISTIC STUDY; KINETIC RELATION; MACROSCOPIC CHARACTERIZATION;

SHEAR DEFORMATION;

EID: 40949119406     PISSN: 00225096     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmps.2007.09.006     Document Type: Article

References (45)

1. Abeyaratne R., and Knowles J. Evolution of Phase Transitions: A Continuum Theory (2006), Cambridge University Press, Cambridge
2. Abeyaratne R., and Vedantam S. Propagation of a front by kink motion - from a discrete model to a continuum model. In: Argoul P., Fremond M., and Nguyen Q. (Eds). Variations of Domains and Free Boundary Problems in Solid Mechanics (1997), Kluwer, Dordrecht 77-84
3. Abeyaratne R., and Vedantam S. A lattice-based model of the kinetics of twin boundary motion. J. Mech. Phys. Solids 51 (2003) 1675-1700
4. Abeyaratne R., Chu C., and James R. Kinetics of materials with wiggly energies: theory and application to the evolution of twinning microstructures in a Cu-Al-Ni shape memory alloy. Philos. Mag. A 73 (1996) 457-497
5. Allen M., and Tildsley D. Computer Simulation of Liquids (1987), Oxford University Press, Oxford
6. Andersen H. Molecular dynamics simulations at constant pressure and/or constant temperature. J. Chem. Phys. 72 4 (1980) 2384-2393
7. Ball J., and James R. Fine phase mixtures as minimizers of energy. Arch. Rat. Mech. Anal. 100 (1987) 13-52
8. Berendsen H., and van Gunsteren W. Practical algorithms for dynamics simulations. In: Ciccotti G., and Hoover W. (Eds). Molecular-Dynamics Simulation of Statistical-Mechanical Systems (1986), North-Holland, Amsterdam 43-65
9. Bhattacharya K. Microstructure of Martensite: Why It Forms and How It Gives Rise to the Shape Memory Effect (2003), Oxford University Press, Oxford
10. Bhattacharya K., Conti S., Zanzotto G., and Zimmer J. Crystal symmetry and the reversibility of martensitic transformation. Nature 428 (2004) 55-59
11. Born M., and von Karman T. Über Schwingungen in Raumgittern. Physik. Z. 13 (1912) 297-309
12. Bray D., and Howe J. High-resolution transmission electron microscopy investigation of the face-centered cubic/hexagonal close-packed martensite transformation in Co-31.8 wt pct Ni alloy: part 1. Plate interfaces and growth ledges. Metall. Mater. Trans. A 27A (1996) 3362-3370
13. Carpio A., and Bonilla L.L. Depinning transitions in discrete reaction-diffusion equations. SIAM J. Appl. Math. 63 (2003) 1056-1082
14. Dayal K., and Bhattacharya K. Kinetics of phase transformations in the peridynamic formulation of continuum mechanics. J. Mech. Phys. Solids 54 (2006) 1811-1842
15. Elliott R., Shaw J., and Triantafyllidis N. Stability of thermally-induced martensitic transformations in bi-atomic crystals. J. Mech. Phys. Solids 50 (2002) 2463-2493
16. Evans D. Computer experiment for nonlinear thermodynamics of Couette flow. J. Chem. Phys. 78 (1983) 3297-3302
17. Fath G. Propagation failure of traveling waves in discrete bistable medium. Physica D 116 (1998) 176-190
18. Frenkel J., and Kontorowa T. On the theory of plastic deformation and twinning. Phys. Z. Sowjet Union 13 (1938) 1-10
19. Hildebrand, F., 2006. Thermomechanical analysis of the kinetics of phase boundaries in shape memory alloys. Master's Thesis, Technische Universität, Berlin.
20. Hirth J., and Lothe J. Theory of Dislocations (1982), Wiley, New York
21. Hoover W., Ladd A., and Moran B. High strain rate plastic flow studied via nonequilibrium molecular dynamics. Phys. Rev. Lett. 48 (1982) 1818-1820
22. 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
23. 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
24. Klein M. Computer simulation studies of solids. Ann. Rev. Phys. Chem. 36 (1985) 525-548
25. Kong C. Combining rules for intermolecular parameters. II. Rules for the Lennard-Jones (12-6) potential and the Morse potential. J. Chem. Phys. 59 5 (1973) 2464-2467
26. Kren E., Nagy E., Nagy I., Pal L., and Szabo P. Structures and phase transformations in the Mn-Ni system near equiatomic concentration. J. Phys. Chem. Solids 29 1 (1967) 101-108
27. Li X., and E W. Multiscale modeling of the dynamics of solids at finite temperature. J. Mech. Phys. Solids 53 (2005) 1650-1685
28. Nguyen T., Ho P., Kwok T., Nitta C., and Yip S. Thermal structural disorder and melting at a crystalline interface. Phys. Rev. B 46 10 (1992) 6050-6060
29. Nosé S. A molecular dynamics method for simulations in the canonical ensemble. Mol. Phys. 52 (1984) 255-268
30. Parrinello M., and Rahman A. Crystal structure and pair potentials: a molecular dynamics study. Phys. Rev. Lett. 45 14 (1980) 1196-1199
31. Parrinello M., and Rahman A. Polymorphic transitions in single crystals: a new molecular dynamics method. J. Appl. Phys. 52 12 (1981) 7182-7190
32. Perrey, C.R., Thompson, R., Carter, C.B., Gidwani, A., Mukherjee, R., Renault, T., McMurry, P.H., Heberlein, J.V.R., Girshick, S.L., 2003. Characterization of nanoparticle films and structures produced by hypersonic plasma particle deposition. In: MRS Symposium Proceedings, vol. 740, pp. 133-138.
33. Pinsook U., and Ackland G. Atomistic simulation of shear in a martensitic twinned microstructure. Phys. Rev. B 62 9 (2000) 5427-5434
34. Pitteri M., and Zanzotto G. Continuum Models for Phase Transitions and Twinning in Crystals (2003), Chapman & Hall, CRC, London, Boca Raton, FL
35. Pouget J. Dynamics of patterns in ferroelastic-martensitic transformations. I. Lattice model. Phys. Rev. B 43 (1991) 3575-3581
36. Purohit, P., 2002. Dynamics of phase transitions in strings, beams and atomic chains. Ph.D. Thesis, California Institute of Technology, Pasadena, California.
37. Rifkin J., and Clapp P. Molecular dynamics studies of martensitic nucleation and growth in two dimensions. J. Phys. 43 (1982) 157-162
38. Slepyan L., Cherkaev A., and Cherkaev E. Transition waves in bistable structures. II. analytical solution: wave speed and energy dissipation. J. Mech. Phys. Solids 53 (2005) 407-436
39. Toukan K., Carrion F., and Yip S. Molecular dynamics study of structural instability of two-dimensional lattices. J. Appl. Phys. 56 5 (1983) 1455-1461
40. Truskinovsky L., and Vainchstein A. Peierls-Nabarro landspace for martensitic phase transitions. Phys. Rev. B 67 (2003) 172103
41. Truskinovsky L., and Vainchtein A. Kinetics of martensitic phase transitions: lattice model. SIAM J. Appl. Math. 66 (2005) 533-553
42. Verlet L. Computer 'experiments' on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 159 (1967) 98-103
43. Waldman M., and Hagler A. New combining rules for rare gas van der Waals parameters. J. Comp. Chem. 14 9 (1993) 1077-1084
44. Woodcock L. Isothermal molecular dynamics calculations for liquid salts. Chem. Phys. Lett. 10 (1971) 257-261
45. Zhen S., and Davies G.J. Calculation of the Lennard-Jones n-m potential energy parameters for metals. Phys. Status Solidi A 78 2 (1983) 595-605