Modelling of the microstructure and properties in the length scales varying from nanoto macroscopic

Bulletin of the Polish Academy of Sciences: Technical Sciences

Volumn 58, Issue 2, 2010, Pages 217-226

  Kurzydlowski, K J ^a  

^a WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Grain boundaries; Multi length scale modelling; Nanomaterials

Indexed keywords

ENGINEERING MATERIALS; LENGTH SCALE; MICROSTRUCTURE AND PROPERTIES; NANO-MATERIALS; POLYCRYSTALLINE METALS; RECENT PROGRESS;

GRAIN BOUNDARIES; NANOSTRUCTURED MATERIALS;

GRAIN SIZE AND SHAPE;

EID: 77955485034     PISSN: 02397528     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (37)

1. R. Sot, "Properties of crystal networks of the chosen alu-minides determined ab initio", PhD Thesis, Warsaw University of Technology, Warsaw, 2006, (in Polish).
2. T. Wejrzanowski, "Modelling of the influence of grain size het-erogenity on their growth in the monophase polycrystal materials", PhD Thesis, Warsaw University of Technology, Warsaw, 2006 (in Polish).
3. P. Spiewak, "Modelling of properties of point defects and their clusters in dislocation free single crystal germanium", PhD Thesis, Warsaw University of Technology, Warsaw, 2009.
4. R. Dobosz, "Influence of grain boundaries on plastic resistivity of polycrystal nanomaterials", PhD Thesis, Warsaw University of Technology, Warsaw, 2010, (in Polish).
5. M. Muzyk, "Modelling of grain boundary structure and properties in aluminium and its alloys", PhD Thesis, Warsaw University of Technology, to be published, (in Polish).
6. R. Sot and K.J. Kurzydlowski, "Atomic modelling of point defects in B2-RuAl", Materials Science-Poland 23, 407-411 (2005).
7. M. Muzyk and K.J. Kurzydlowski, "Density functional theory calculations of properties of point defects in B2-NiAl in-termetallic compound", Scripta Materialia 62, (2010), to be published.
8. R. Sot and J. Piechota, "First principles study of Al(100) twisted interfaces", Solid State Phenomena 129, 131 (2007).
9. W.L. Spychalski, K.J. Kurzydłowski, and B. Ralph, "Computer study of inter and intra-granular surface crack in brittle polycrystal", Materials Characterization 49, 45-53 (2002).
10. J. Wróbel, L.G. Hector, T Wejrzanowski, and K.J. Kurzydłowski, "Mechanical and thermodynamical properties of X-La intermetallic compounds on the basis of computations from first principles (X=Al,Mg)", Material Engineering School 1, CD ROM (2009), (in Polish).
11. R. J. Schlitz and J. F. Smith, "Elastic constants of some MAl2 single crystals", J. Appl. Phys. 45, 4681 (1974).
12. V. Blum and A. Zunger, "Prediction of ordered structures in the bcc binary systems of Mo, Nb, Ta, and W from first-principles search of approximatelly 3,000,000 possible configurations", Phys. Rev. B 72, 020104 (2005).
13. S.V. Barabash, R.V. Chepulskii, V. Blum, and A. Zunger, "First-principles determination of low-temperature order and ground states of Fe-Ni, Fe-Pd, and Fe-Pt", Phys. Rev. B 80, 220201 (2009).
14. G. Kresse and J. Furthmuller, "Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set", Phys. Rev. B 54, 11169 (1996).
15. R. Kozubski, M. Kozłowski, J. Wróbel, T Wejrzanowski, K. Kurzdłowski, Ch. Goyhenex, M. Rennhofer, and S. Malinov, "Atomic ordering in nano-layered FePt: multiscale Monte Carlo simulation", Computational Materials Science 48, (2010), to be published.
16. M.L. Lee, E.A. Fitzgerald, M.T Bulsara, M.T Currie, and A. Lochtefeld, "Strained Si, SiGe, and Ge channels for high-mobility Metal-Oxide-Semiconductor Field-Effect Transistors", J. Appl. Physics 97, 011101 (2005).
17. The International Technology Roadmap for Semiconductors, http://www.itrs.net (2009).
18. J. Vanhellemont, O. De Gryse, S. Hens, P. Vanmeerbeek, D. Poelman, P. Clauws, E. Simoen, C. Claeys, I. Romandic, A. Theuwis, G. Raskin, H. Vercammen, and P. Mijlemans, "Grown-in lattice defects and diffusion in Czochralski-grown germanium", Defect and Diffusion Forum 230-232, 149-176 (2004).
19. E. Wachowicz and A. Kiejna, "Effect of impurities on grain boundary cohesion in bcc iron", Computational Materials Science 43, 736-743 (2008).
20. M. Winning, G. Gottstein, and L.S. Shvindlerman, "Stress induced grain boundary motion", Acta Materialia 49, 211-219 (2001).
21. P. Lejcek, S. Hofmann, and V. Paidar, "Solute segregation and classification of [100] tilt grain boundaries in α-iron: consequences for grain boundary engineering", Acta Materialia 51, 3951-3963 (2003).
22. C. Zheng and Y.W. Zhang, "Atomistic simulations of mechanical deformation of high-angle and low-angle nanocrystalline copper at room temperature", Materials Science & Engineering A 423, 97-101 (2006).
23. th Int. Conf. on Aluminium Alloys 1, CD-ROM (2008).
24. T. Wejrzanowski, M. Spychalski, R. Pielaszek, and K.J. Kurzydlowski, "Grain boundary migration in nanocrystalline iron", Solid State Phenomena 129, 145-150 (2007).
25. T. Wejrzanowski and K.J. Kurzydlowski, "Modelling of grain growth in nano-polycrystalline materials", 5th Int. Conf. on Mechanics & Materials in Design 1, CD-ROM (2006).
26. E.O. Hall, "The deformation and ageing of mild steel: II Characteristics of the Luders deformation", Proc. Phys. Soc. B 64, 742-748 (1951).
27. N.J. Petch, "The cleavage stress of polycrystals", J. Iron. Steel Inst. 174, 25-28 (1953).
28. R.W. Armstrong, "The influence of polycrystal grain size on mechanical properties", Advances in Materials Research 4, 101-146 (1970).
29. S. Berbenni, V. Favier, and M. Berveiller, "Micro-macro modelling of the effects of the grain size distribution on the plastic flow stress of heterogeneous materials", Computational Materials Science 39, 96-105 (2007).
30. H.C. Choi and K.T. Park, "The effect of carbon content on the Hall-Petch parameter in the cold drawn hypereutectoid steels", Scripta Materialia 34, 857-862 (1996).
31. C. Mercer and W.O. Soboyejo, "Hall-Petch relationships in gamma titanium aluminides", Scripta Materialia 35, 17-22 (1996).
32. R. Mahmudi, "Grain boundary strengthening in a fine grained aluminium alloy", Scripta Metallurgica et Materialia 32, 781-786 (1995).
33. N. Hansen, "Boundary strengthening in undeformed and deformed polycrystals", Materials Science & Engineering A 409, 39-5 (2005).
34. I. Watanabe, K. Terada, E.A. de Souza Neto, and D. Peric, "Characterization of macroscopic tensile strength of polycrys-talline metals with two-scale finite element analysis", J. Mechanics and Physics of Solids 56, 1105-1125 (2008).
35. D.S. Balint, V.S. Deshpande, A. Needleman, and E. Van der Giessen, "Discrete dislocation plasticity analysis of the grain size dependence of the flow strength of polycrystals", Int. J. Plasticity 24, 2149-2172 (2008).
36. R. Dobosz, T. Wejrzanowski, and K.J. Kurzydlowski, "Modelling the influence of the structure on the properties of nanometals", Computer Methods in Materials Science 9, 1 (2009).
37. S.C. Tjong and H. Chen, "Nanocrystalline materials and coatings", Materials Science and Engineering R 45, 1-88 (2004).