Molecular-dynamics study on crack growth behavior relevant to crystal nucleation in amorphous metal

CMES - Computer Modeling in Engineering and Sciences

Volumn 9, Issue 1, 2005, Pages 75-84

  Matsumoto, R ^a   Nakagaki, M ^a   Nakatani, A ^b   Kitagawa, H ^c  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

^b OSAKA UNIVERSITY   (Japan)

^c DOSHISHA UNIVERSITY   (Japan)

Author keywords

Amorphous; Crystallization; Deformation mechanism; Fracture mechanics; Molecular dynamics; Nano crystal; Nano metal

Indexed keywords

AMORPHOUS MATERIALS; CRYSTALLIZATION; CRYSTALS; DEFORMATION; FRACTURE MECHANICS; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; NUCLEATION;

CRACK-TIP SURFACES; DEFORMATION MECHANISM; NANO-CRYSTAL; NANO-METAL;

CRACK PROPAGATION;

EID: 24344448300     PISSN: 15261492     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (36)

1. Abraham, F. F. (2000): Maadly spanning the length scales in dynamic fracture. CMES: Computer Modeling in Engineering & Sciences, vol. 1, no. 4, pp. 63-70.
2. Buehler, M. J.; Abraham, F. F.; Gao, H. (2003): Hyperelasticity governs dynamic fracture at a critical length scale. Nature, vol. 426, no. 13, pp. 141-146.
3. 22.5 metallic glass matrix composites. Acta Mater., vol. 46, pp. 6089-6102.
4. Finnis, M. W.; Sinclair, J. E. (1984): A simple empirical n-body potential for transition metals. Philos. Mag., A, vol. 50, no. 653, pp. 45-55.
5. Finnis, M. W.; Sinclair, J. E. (1986): Erratum. Philos. Mag., A, vol. 53, no. 1, pp. 161.
6. Flores, K. M.; Dauskardt, R. H. (1999): Local heating associated with crack tip plasticity in zr-ti-ni-cu-be bulk amorphous metals. J. Mater. Res., vol. 14, no. 3, pp. 638-643.
7. Gao, M. C.; Hackenberg, R. E.; Shiflet, G. J. (2001): Deformation-induced nanocrystal precipitation in al-base metallic glasses. Mater. Trans., vol. 42, pp. 1741.
8. Honeycutt, J. D.; Andersen, H. C. (1988): Molecular dynamics study of melting and freezing of small lennard-jones clusters. J. Phys. Chem., vol. 91, pp. 4950-4963.
9. Inoue, A. (2000): Stabilization of metallic supercooled liquid and bulk amorphous alloys. Acta Mater., vol. 48, pp. 279-306.
10. Inoue, A.; Nakazato, K.; Kawamura, Y.; Masumoto, T. (1994): The effect of additional cu element on the structure and mechanical properties of al-ni-m (m=ce or nd) amorphous alloys containing nanoscale fcc-al particles. Mater. Sci. Eng., pp. 654-658.
11. Kalia, R. K.; Nakano, A.; Vashishta, P.; Rountree, C. L.; Van Brutzel, L.; Ogata, S. (2003): Multiresolution atomistic simulations of dynamic fracture in nanostructured ceramics and glasses. Int. J. Fracture, vol. 121, pp. 71-79.
12. Lee, B. J.; Baskes, M. I.; Kim, H.; Cho, Y. K. (2001): Second nearest-neighbor modified embedded atom method potential for bcc transition metals. Phys. Rev. B, vol. 64, no. 18, pp. 184102.
13. Lee, B. J.; Lee, C. S.; Lee, J. C. (2003): Stress induced crystallization of amorphous materials and mechanical properties of nanocrystalline materials: a molecular dynamics simulation study. Acta Mater., vol. 51, pp. 6233-6240.
14. Lee, J. C.; Kim, Y. C.; Ahn, J. P.; Kim, J. P.; Lee, S. H.; Lee, B. J. (2004): Deformation-induced nanocrystallization and its influence on work hardening in a bulk matrix composite. Acta Mater., vol. 52, pp. 1525-1533.
15. Li, J.; Yip, S. (2002): Atomistic measures of materials strength. CMES: Computer Modeling in Engineering & Sciences, vol. 3, no. 2, pp. 219-227.
16. Matsumoto, R.; Kitagawa, H.; Nakatani, A. (2002): Molecular dynamics simulation of deformation-induced nanocrystallization process in amorphous metal. Proceeding of International Conference on Computational Engineering & Science 2002(ICES'02), USA, Reno, 31st Jul-2nd Aug. (CD-ROM).
17. Matsumoto, R.; Kitagawa, H.; Nakatani, A. (2003): Molecular dynamics simulation of deformation-induced nanocrystallization in an amorphous metal. J. Soc. of Mat. Sci. Japan, vol. 52, no. 3, pp. 235-240(in Japanese).
18. Matsumoto, R.; Kitagawa, H.; Nakatani, A. (2003): Molecular dynamics study on hydrostatic effect on crystal nucleation rate and growth velocity in amorphous metal. Proceeding of International Conference on Computational & Experimental Engineering and Science 2003(ICCES'03), Greece, Corfu, 25th-29th Jul. (CD-ROM).
19. Matsumoto, R.; Kitagawa, H.; Nakatani, K.; Nakatani, A. (2001): Atomistic analysis of crack propagation in amorphous metal. Trans. JSME, A, vol. 67, no. 1, pp. 23-29(in Japanese).
20. Matsumoto, R.; Nakatani, A.; Kitagawa, H. (2003): Analysis of crack opening behavior in amorphous metal(comparative study of atomistic and elastoviscoplastic continuum model). Trans. JSME, A, vol. 69, no. 7, pp. 1074-1081 (in Japanese).
21. Monaghan, J. J. (1992): Smoothed particle hydrodynamics. Annu. Rev. Astron. Astrophys., vol. 30, pp. 543-574.
22. Nakatani, A.; Shimokawa, T.; Matsumoto, R.; Kitagawa, H. (2004): Atomistic study on ideal strength of nanocrystal and deformation induced nanostructures. IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials Strength (eds. H. Kitagawa and Y. Shibutani, published from KLUWER ACADEMIC PUBLISHERS), pp. 365-380.
23. Nakatani, K.; Kitagawa, H.; Nakatani, A. (1997): Molecular dynamics simulation on the mechanical strength of one-component amorphous metal - decreasing of elastic moduli and strength induced by change of internal structure. J. Soc. of Mat. Sci. Japan, vol. 46, no. 3, pp. 244-249(in Japanese).
24. Nakatani, K.; Nakatani, A.; Sugiyama, Y.; Kitagawa, H. (2000): Molecular dynamics study on mechanical properties and fracture in amorphous metal. AIAA Journal, vol. 38, no. 4, pp. 695-701.
25. Nieh, T. G.; Wadsworth, J.; Liu, C. T.; Ohkubo, T.; Hirotsu, Y. (2001): Plasticity and structural instability in a bulk metallic glass deformed in the supercooled liquid region. Acta Mater., vol. 49, no. 15, pp. 2887-2896.
26. Nishimura, K.; Miyazaki, N. (2001): Molecular dynamics simulation of crack propagation in polycrystalline material. CMES: Computer Modeling in Engineering & Sciences, vol. 2, no. 2, pp. 143-154.
27. Ogura, A.; Sato, M.; Tarumi, R.; Shimojo, M.; Takashima, K.; Higo, Y. (2001): Formation of nano-sized crystals during plastic deformation in amorphous alloys. Mat. Res. Soc. Symp. Proc., vol. 634, pp. B 1.10.1.
28. Parrinello, M.; Rahman, A. (1981): Polymorphic transitions in single crystals: a new molecular dynamics method. J. Appl. Phys., vol. 52, no. 12, pp. 7812-7190.
29. SchiΦtz, J.; Jacobsen, K. W. (2003): A maximum in the strength of nanocrystalline copper. Science, vol. 301, pp. 1357-1359.
30. SchiΦ, J.; Tolla, F. D. D.; Jacobsen, K. W. (1998): Softening of nanocrystalline metals at very small grain sizes. Nature, vol. 391, no. 5, pp. 561-563.
31. Shastry, V.; Farkas, D. (1996): Molecular statics simulation of fracture in α-iron. Modelling Simul. Mater. Sci. Eng., vol. 4, pp. 473-492.
32. Shen, S.; Atluri, S. N. (2004): Atomic-level stress calculation. Proceeding of the 2004 International Conference on Computational & Experimental Engineering & Science, pp. 1541-1547.
33. Shen, S.; Atluri, S. N. (2004): Atomic-level stress calculation and continuum-molecular system equivalence. CMES: Computer Modeling in Engineering & Sciences, vol. 6, no. 1, pp. 91-104.
34. Shen, S.; Atluri, S. N. (2004): Multiscale simulation based on the meshless local petrov-galerkin(mlpg) method. CMES: Computer Modeling in Engineering & Sciences, vol. 5, no. 3, pp. 235-256.
35. Verlet, L. (1967): Computer "experiments" on classical fluids, i. thermodynamical properties of lennard-jones molecules. Phys. Rev. B, vol. 151, no. 1, pp. 98-103.
36. Yoshizawa, Y.; Oguma, S.; Yamauchi, K. (1988): New fe-based soft magnetic alloys composed of ultrafine grain structure. J. Appl. Phys., vol. 64, pp. 6044-6046.