A molecular dynamics study to investigate the local atomic arrangements during martensitic phase transformations

Molecular Simulation

Volumn 37, Issue 5, 2011, Pages 421-429

  Celik, F A ^a,b   Yildiz, A K ^c   Ozgen, S ^b  

^a BITLIS EREN UNIVERSITY   (Turkey)

^b FIRAT UNIVERSITY   (Turkey)

^c KILIS 7 ARALIK UNIVERSITY   (Turkey)

Author keywords

alloys; local atomic orders; martensitic phase transitions

Indexed keywords

AL ALLOYS; ATOMIC ARRANGEMENT; ATOMIC ORDERS; ATOMIC REARRANGEMENTS; BOND ORIENTATIONAL ORDERS; EMBEDDED-ATOM METHOD; LIQUID STATE; LOCAL ATOMIC ORDERS; MARTENSITE PHASE; MARTENSITIC PHASE TRANSFORMATIONS; MARTENSITIC PHASE TRANSITIONS; MODEL ALLOYS; MODEL-BASED; MOLECULAR DYNAMICS SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS; SHORT RANGE ORDERS; STRUCTURAL PARTS; THERMALLY INDUCED;

ALLOYS; CERIUM ALLOYS; COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; MARTENSITE; MARTENSITIC TRANSFORMATIONS; MOLECULAR DYNAMICS;

ATOMS;

EID: 79957604130     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2010.547856     Document Type: Article

References (33)

1. P.H. Kitabjian, A. Garg, R.D. Noebe, and W.D. Nix, Hightemperature deformation behavior of NiAl(Ti), Metall. Mater. Trans. A 30 (1999), pp. 587-600.
2. S. Kazanc, S. Ozgen, and O. Adiguzel, Pressure effects on martensitic transformation under quenching process in a molecular dynamics model of NiAl alloy, Phys. B 334 (2003), pp. 375-381.
3. D.B. Miracle, The physical and mechanical properties of NiAl, Acta Metall. Mater. 41 (1993), pp. 649-684.
4. A. Chrysochoos, H. Pham, and O. Maisonneuve, Energy balance of thermoelastic martensite transformation under stress, Nucl. Eng. Des. 162 (1996), pp. 1-12. (Pubitemid 126349406)
5. R.J. Comstock, T.E. Buchheit, M. Somerday, and J.A. Wert, Modeling the transformation stress of constrained shape memory alloys single crystals, Acta Mater. 44 (1996), pp. 3505-3514. (Pubitemid 126358070)
6. D.A. Porter and K.E. Easterling, Phase Transformations in Metals and Alloys, 2nd ed., Taylor & Francis, CRC, 1992.
7. Z.G. Wang, X.T. Zu, and Y. Huo, Effect of heating/cooling rate on the transformation temperatures in TiNiCu shape memory alloys, Thermochim. Acta 436 (2005), pp. 153-155. (Pubitemid 41263323)
8. Z.K. Lu and G.J. Weng, A self-consistent model for the stress-strain behaviour of shape-memory alloy polycrystals, Acta Mater. 46 (1998), pp. 5423-5433. (Pubitemid 128410489)
9. A.P. Sutton and J. Chen, Long-range Finnis-Sinclair potentials, J. Philos. Mag. Lett. 61 (1990), pp. 139-146.
10. T. Cagin, G. Dereli, M. Uludogän, and M. Tomak, Thermal and mechanical properties of some FCC transition metals, Phys. Rev. B 59 (1999), pp. 3468-3473.
11. Y. Shao, P.C. Clapp, and J.A. Rifkin, Molecular dynamics simulation of martensitic transformations in NiAl, Metal. Mater. Trans. A 27 (1996), pp. 1477-1490.
12. E.S. Lee and S. Ahn, Changes in features of invariant plane strain with monoclinic distortion in 18R-type martensitic transformation, Acta Mater. 46 (1998), pp. 4357-4368. (Pubitemid 128438565)
13. X. Ding, T. Suzuki, X. Ren, J. Sun, and K. Otsuka, Precursors to stress-induced martensitic transformations and associated superelasticity: Molecular dynamics simulations and an analytical theory, Phys. Rev. B 74 (2006), 104111, 1-10.
14. M. Parrinello and A. Rahman, Crystal structure and pair potentials: A molecular-dynamics study, Phys. Rev. Lett. 45 (1980), pp. 1196-1199.
15. S. Kazanc and S. Ozgen, Thermal and pressure-induced martensitic phase transformations in a Ni-Al alloy modelled by Sutton-Chen embedded atom method, Mol. Simulat. 34 (2008), pp. 251-257.
16. J.M. Haile, Molecular Dynamics Simulation, Elementary Methods, AWiley-Interscience Pub., John-Wiley & Sons, Canada, 1992.
17. D.R. Nelson and J. Toner, Bond-orientational order, dislocation loops, and melting of solids and smectic - A liquid crystals, Phys. Rev. B. 24 (1981), pp. 363-387.
18. D.R. Nelson, Order, frustration, and defects in liquids and glasses, Phys. Rev. B 28 (1983), pp. 5515-5535.
19. P.J. Steinhardt, D.R. Nelson, and M. Ronchetti, Bond orientational order in liquids and glasses, Phys. Rev. B. 28 (1983), pp. 784-804.
20. F.A. Celik, S. Kazanc, A.K. Yildiz, and S. Ozgen, Pressure effect on the structural properties of amorphous Ag during isothermal annealing, Intermetallics 16 (2008), pp. 793-800.
21. I. Skauvik, J.P. Hansen, and T. Matthey, Dynamics of clustering in a binary Lennard-Jones material, Model. Simulat. Mater. Sci. Eng. 8 (2008), pp. 665-676.
22. A. Mujica, A. Rubio, A. Munoz, and R.J. Needs, High-pressure phases of group-IV, III-V, and II-IV compounds, Rev. Mod. Phys. 75 (2003), pp. 863-912. (Pubitemid 37244518)
23. A.P. Hynninen, M.E. Leunissen, A.V. Blaaderen, and M. Dijkstra, CuAu structure in the restricted primitive model and oppositely charged colloids, Phys. Rev. Lett. 96 (2006), pp. 018303-1-4.
24. J.D. Honeycutt and H.C. Andersen, Molecular dynamics study of melting and freezing of small Lennard-Jones clusters, J. Phys. Chem. 91 (1987), pp. 4950-4963.
25. H.J. Lee, T. Cagin, W.L. Johnson, and W.A. Goddard III, Criteria for formation of metallic glasses: The role of atomic size ratio, J. Chem. Phys. 119 (2003), pp. 9558-9570.
26. J.B. Zhu, S. Wang, M.H. Qiao, W.N. Wang, and K.N. Fan, Firstprinciple molecular dynamics study of the structural and electronic properties of liquid and amorphous Ni-Al alloys, J. Non-Cryst. Solids. 27 (2007), pp. 2638-2645. (Pubitemid 47017282)
27. 4, Intermetallics 15 (2007), pp. 1361-1368.
28. 3Al liquid and glasses, Chem. Phys. Lett. 354 (2002), pp. 466-473.
29. Y.F. Guo, Y.S. Wang, D.L. Zhao, and W.P. Wu, Mechanisms of martensitic phase transformations in body-centered cubic structural metals and alloys: Molecular dynamics simulations, Acta Mater. 55 (2007), pp. 6634-6641.
30. 3Al alloy around excess Al atoms, Intermetallics 13 (2005), pp. 1137-1140. (Pubitemid 40915060)
31. 30 alloy structure using EAM in rapid cooling and heating process, Mat. Sci. Eng. A 271 (1999), pp. 116-121.
32. N.P. Lazarev, C. Abromeit, R. Schaublin, and R. Gotthardt, Temperature-controlled martensitic phase transformations in a model NiAl alloy, J. Appl. Phys. 100 (2006), 063520.
33. 30 alloy structure using EAM in rapid cooling and heating process, Mat. Sci. Eng. A 271 (1999), pp. 116-121.