Abstract
This paper is concerned with atomistic simulations of the mechanical properties of metals and the effects of hydrogen. Figure 1 shows an example of such a simulation-a slab of Ni atoms which originally started with a small crack and a hydrogen atom at the crack tip. We performed molecular dynamics simulations on this slab using the Embedded Atom Method (1) to give us the forces for Newton’s Law. External stress was applied and the result was that dislocations were emitted from the crack. The first dislocation originated near the hydrogen atom and subsequent dislocations came out from other areas. The same calculation without the hydrogen shows a lower dislocation emission rate. These calculations suggest that the process of hydrogen embrittlement may actually involve an enhancement of crack tip plasticity, as has been suggested by the work of Lynch (2) and Birnbaum and co-workers (3). In this paper, we will discuss how the calculations are done and what we conclude from them.
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References
M. S. Daw and M. L Baskes, Phys. Rev. Lett. 5Q, 1285 (1983) and Phys. Rev. B29, 6443 (1984).
S. P. Lynch, J. Mater. Sci. 21, 692 (1986).
T. Matsumoto, J. Eastman, and H. K. Birnbaum, Scripta Met. 15, 1033 (1981). T. Tabata and H. K. Birnbaum, Scripta Met. 18, 231 (1984).
See papers contained in Interatomic Potentials and Crystalline Defects, edited by J. K. Lee (Metallurgical Society of AIME, New York, 1981).
W. A. Harrison, Pseudoopotentials in the Theory of Metals, (W. A. Benjamin, Inc., New York, 1966 ).
R. A. Johnson, Phys. Rev. B6, 2094 (1972).
M. I. Baskes, C. F. Melius, and W. D. Wilson, in Interatomic Potentials and Crystalline Defects, edited by J. K. Lee (Metallurgical Society of AIME, New York, 1981) (see Fig. 4 and discussion thereof).
M. S. Daw (in preparation).
See, for example, M. L. Plumer and M. J. Stott, J. Phys. C18, 4143 (1985).
K. W. Jacobsen, J. K. Nørskov, and M. J. Puska, (to be published).
M. Manninen, Phys. Rev. B (to be published).
S. M. Foiles, Phys. Rev. B32, 3409 (1985).
S. M. Foiles, M. I. Baskes, and M. S. Daw, Phys. Rev. B33, 7983 (1986).
M. S. Daw and R. L. Hatcher, Sol. State Comm. 56 697 (1985).
S. M. Foiles and and M. S. Daw (submitted for publication).
M. S. Daw, Surface Sei. Lett. 166, L161 (1986).
S. M. Foiles and M. S. Daw, (in preparation).
T. E. Felter, S. M. Foiles, M. S. Daw, and R. H. Stulen, Surface Sei. Lett. 171 L379 (1986).
M. S. Daw and S. M. Foiles (submitted for publication).
S. M. Foiles, M. I. Baskes, C. F. Melius, and M. S. Daw, Proceedings of the International Symposium on the Properties and Applications of Metal Hydrides V, Maubuisson, France, May 25–30, 1986.
M. S. Daw, M. I. Baskes, C. L. Bisson. Wolfer, Modeling Environmental Effects on Crack Growth Processes, ed. by R. H. Jones and W. W. Gerberich ( Metallurgical Society of AIME, New York, 1986 ).
See, for a discussion, R. Thompson, “Physics of Fracture,” in Atomistics of Fracture, ed. by R. M. Latanision and J. R. Pickens (NATO Advance Study Institute, Corsica, May, 1981, Plenum Press).
J. Donovan, Met. Trans. A7, 1677 (1976).
E. Kroner, in Physics of Defects, ed. R. Balian, M. Kleman, and J.-P. Poirier, (Les Houches 1980, Session XXXV, North-Holland, 1981 ).
See, for example, discussions and references in B. deCelis, A. S. Argon, and S. Yip, J. Appl. Phys. 54, 4864 (1983).
Theory of Dislocations, J. P. Hirth and J. Lothe (McGraw-Hill, New York, 1968).
M. I. Baskes, C. F. Melius, and W. D. Wilson, in Hydrogen Effects in Metals, ed. by I. M. Bernstein and A. W. Thompson, ( The Metallurgical Society of AIME, 1980 ).
G J. Thomas, in Hydrogen Effects in Metals, ed. by I. M. Bernstein and A. W. Thompson, ( The Metallurgical Society of AIME, 1980 ).
G. J. Thomas and W. D. Drotning, Met. Trans. A14, 1545 (1983).
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© 1987 Martinus Nijhoff Publishers, Dordrecht
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Daw, M.S., Baskes, M.I. (1987). Application of the Embedded Atom Method to Hydrogen Embrittlement. In: Latanision, R.M., Jones, R.H. (eds) Chemistry and Physics of Fracture. NATO ASI Series, vol 130. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3665-2_12
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DOI: https://doi.org/10.1007/978-94-009-3665-2_12
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