Invar FeNi Alaşımında Martensitik Faz Dönüşümlerinin Moleküler Dinamik Simülasyon Yöntemi ile Araştırılması

Öz

Bu çalışmada, invar Fe₆₄Ni₃₆ alaşımında sıcaklığa bağlı martensitik faz dönüşümleri Moleküler Dinamik Simulasyon (MDS) yöntemiyle araştırılmıştır. Atomlararası etkileşimler Gömülmüş atom yönteminin Sutton- Chen versiyonu kullanılarak modellenmiştir. Martensitik faz dönüşümlerini belirlemek için, model sistemin sıcaklığa bağlı enerji ve hacim değişimi incelenmiştir. Yapısal karakterizasyon radyal dağılım fonksiyonu (RDF) ve yer değiştirmenin kare ortalaması (MSD) kullanılarak yapılmıştır. Elde edilen termodinamik ve yapısal veriler değerlendirilerek, invar Fe₆₄Ni₃₆ ikili alaşım sisteminin martensitik faz dönüşümü sergilediği gözlenmiştir.    

Anahtar Kelimeler

• Martensitik faz dönüşümleri,Moleküler dinamik simülasyon

Kaynakça

1. [1] Guo Y.F., Wang Y. S., Zhao D. L., Wu W. P., 2007. Mechanisms of martensitic phase transformations in body-centered cubic structural metals and alloys: Molecular dynamics simulations, Acta Materialia, 55: 6634–6641.
2. [2] Engin C., Urbassek H. M., 2008. Molecular-dynamics investigation of the fcc- bcc phase transformation in Fe. Computational Materials Science 41: 297–304.
3. [3] Acet M., Schneider T., Wasserman E.F.,1995. Magnetic Aspects of Martensitic Transformation in FeNi Alloys, Journal De Physique IV, (5), C2-105.
4. [4] Danil’chenko V. E., Delidona R. N., Kositsinab I. I., Saragadze V. V., 2010. Martensitic Transformation
in an Iron–Nickel Melt Quenched Alloy. The Physics of Metals and Metallography, 111 (3): 253-257.
5. [5] Meng L. J., Peng X. Y., Tang C., Zhang K. W., Stocks G.M., 2010. A quasicore-shell structure of FeCo and FeNi nanoparticles. Journal Of Applıed Physıcs 108(10), (104314) 1-5.
6. [6] Howald R. A., 2002. The Thermodynamics of Tetrataenite and Awaruite: A Review of the Fe-Ni Phase Diagram. Metallurgical and Materials Transactions A, (34A), 1759-1769.
7. [7] Meyer R., Entel, P., 1998. Martensit- Austenit Transition and Phonon Dispersion Curves of Fe1-xNix Studied by Moleculer Dynamics simulations, Physical. Review B ( 57, 9), 5140-5147.
8. [8] Pedro Gorriaa, David Martínez-Blancob, Jesús A. Blancoa, Ronald I. Smithc, 2010. Neutron powder thermo-diffraction in mechanically alloyed Fe64Ni36 invar alloy. Journal of Alloys and Compounds, 495, 495–498.

9. [9] Grujicic M., Dang, P., 1995. Computer simulation of martensitic transformation in Fe-Ni face-centerd cubic alloys. Materials Science and Engineering A, 201, 194-204.
10. [10] Abrikosov I. A., Kissavos A. E., Liot F., Alling B., Simak S. I., Peil, O. Ruban A. V., 2007. Competition Between Magnetic Structures In The Fe Rich Fcc FeNi Alloys. Physical Review B 76, 014434 (1-14).
11. [11] Danil’chenko, V. E., Delidon, R. N., Kositsina, I. I., Saragadze, V. V. 2011. Martensitic transformation in an iron-nickel melt-quenched alloy. The Physics of Metals and Metallography, 111(3), 253–257.
12. [12] Kazanc S., Ozgen S., Adiguzel O., 2003. Pressure effects on martensitic transformation under quenching process in a molecular dynamics model of NiAl alloy. Physica B, 334: 375–381.
13. [13] Daw, M.S., Baskes
 M. I., 1983. Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals. Physical Review letters 50(17), 1285-1288.
14. [14] Daw, M.S., Baskes, M.I.,1984. Embedded- atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, (29), 6443-6453.
15. [15] Daw M.S.,. Foiles S.M., Baskes M.I., 1993. The Embedded Atom Method: A Review of theory and applications. Materials. Science Reports. (9) 250.
16. [16] Kazanç, S., Özgen, S., 2004. The Changes of barrier energy in fcc→bcc phase transformation by shear stresses. Gazi Üniversitesi Fen Bilimleri Enstitüsü Dergisi 17(2), 35-42.
17. [17] Meyer R., Entel, P., 1995. Molecular Dynamics Study of Iron- Nickel Alloys, Journal De Physique IV, (5), C2, 123- 128.
18. [18] Kadau, K., Entel, P., Lomdahl, P.S., 2002. Molecular Dynamics Study of Martensitic Transformations in Sitered Fe-Ni Nanoparticles. Computer Physics Communications, (147), 126-129.
19. [19] Tatar, C., Kazanç, S., 2012. Investigation of the effect of pressure on thermodynamic properties and thermoelastic phase transformation of CuAlNi Alloys: A Molecular Dynamics Study, Current Applied Physics (12) 98-104.
20. [20] Kazanç, S., Özgen, S., 2008, Thermal and Pressure Induced Martensitic Phase Transformation in a Ni- Al Alloy Modelled by Sutton-Chen Embedded Atom Method, Molecular Simulation (34-3), 251-257.
21. [21] Bonny, G., Passianot, R.C., Malerba, L., 2008. Fe-Ni many-body potential for metalurgical applications, Modelling and Simulation in Materials Science and Engineering 17, 025010.
22. [22] Owen, E. A., Yates, E. L., Sully, A.H., 1937. An X ray Investigation of Pure Iron- Nickel Alloys. Part 4: The Variation of Lattice parameter with Composition. Proceedings of the Physical Society, (49- 3), 315-322.
23. [23] Rahman, A. 1964. Correlations in the Motion of Atoms in Liquid argon. Physical Review B (136), 405-411.
24. [24] Li, H., Wang, G., Ding, F., Wang, J., Shen, W., 2001. Molecular Dynamics Computational of Clusters Liquid Fe-Al Alloy. Physics Letters A (280), 325-332.
25. [25] Leach, A. R., 2001. Molecular Modelling Principles and Applications. Pearson Education Limited, 744p. Great Britain.
26. [26] Bhattacharya, K., Conti, S., Zanzotto, G., Zimmer, J., 2004. Crystal Symmetry and the reversibility of Martensitic Transformation. Letter to Nature (428), 55-59.
27. [27] Martienssen, W., Warlimont, H. (Ed.), 2005. Springer Handbook of Condensed Matter and Materials Data. Springer, Würzburg-Germany, 1120p.