The influence of dilute heats of mixing on the atomic structures, defect energetics and mechanical properties of fcc-bcc interfaces

Acta Materialia

Volumn 58, Issue 13, 2010, Pages 4549-4557

  Liu, X Y ^a   Hoagland, R G ^a   Wang, J ^a   Germann, T C ^a   Misra, A ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Interface shear; Interface structure; Molecular dynamics simulations; Multilayers; Point defects

Indexed keywords

MIXING; MOLECULAR DYNAMICS; MULTILAYERS; POINT DEFECTS;

CRYSTALLOGRAPHIC ORIENTATION RELATIONSHIPS; INTERFACE SHEAR; INTERFACE STRUCTURES; INTERFACIAL SHEAR STRENGTH; LATTICE MISFIT STRAIN; MOLECULAR DYNAMICS SIMULATIONS; POSITIVE HEAT OF MIXING; VACANCY FORMATION ENERGIES;

CRYSTAL STRUCTURE;

EID: 78649753026     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2010.05.008     Document Type: Article

References (18)

1. Misra A, Demkowicz MJ, Zhang X, Hoagland RG. JOM 2007;59:62.
2. Wang J, Hoagland RG, Hirth JP, Misra A. Acta Mater 2008;56:3109.
3. Demkowicz MJ, Hoagland RG, Hirth JP. Phys Rev Lett 2008;100:136102.
4. Daw MS, Baskes MI. Phys Rev B 1984;29:6443.
5. Voter AF. Los Alamos National Laboratory unclassified technical report #LA-UR 93-3901; 1993.
6. Johnson RA, Oh DJ. J Mater Res 1989;4:1195.
7. Demkowicz MJ, Hoagland RG. J Nucl Mater 2008;372:45.
8. Hoagland RG, Mitchell TE, Hirth JP, Kung H. Philos Mag A 2002;82:643.
9. Lndolt H, Ehrhart P, Ullmaier H. Atomic defects in metals. Berlin: Springer-Verlag; 1991.
10. Demkowicz MJ, Wang J, Hoagland RG. In: Hirth JP, editor. Dislocations in solids. Amsterdam, Holland: Elsevier, vol. 14; 2008. p. 141-205.
11. Jónsson H, Mills G, Jacobsen KW. In: Berne BJ, Ciccotti G, Coker DF, editors. Classical and quantum dynamics in condensed phase simulations. Singapore: World Scientific; 1998. p. 385.
12. Hirth JP, Lothe J. Theory of dislocations. New York: Wiley; 1982.
13. Vitek V. Cryst Latt Def 1974;5:1.
14. Hammerberg JE, Holian BL, Germann TC, Ravelo R. Metall Mater Trans A 2004;35A:2741.
15. Kresse G, Hafner J. Phys Rev B 1993;47:558.
16. Kresse G, Furthmüller J. J Comput Mater Sci 1996;6:1516.
17. Kaufman L. CALPHAD 1978;2:117.
18. Demkowicz MJ, Hoagland RG. Int J Appl Mech 2009;1:421.