PSI - Issue 13
Eunan J. McEniry et al. / Procedia Structural Integrity 13 (2018) 1099–1104 Author name / Structural Integrity Procedia 00 (2018) 000 – 000
1104
6
extend the present analysis to include boron, nitrogen and oxygen, and to explore a larger configurational space. More recent work has involved examining the role of alloying elements such as Mn and Al, and the effects that substitutional segregants at structural defects may have on the segregation of light elements. Such alloy segregation profiles can be then used as starting point to investigate the mechanical responses of realistically-decorated structural defects in realistic alloy systems.
Acknowledgements
This work has been supported by the Deutsche Forschungsgemeinschaft (German Research Foundation, DFG), within the Collaborative Research Center SFB 761 “Stahl – ab initio”.
References
Du, Y. A., Ismer, L., Rogal, J., Hickel, T., Neugebauer, J. Drautz, R., Phys. Rev. B. 84 (2011) 144121 Hickel, T., Nazarov, R., McEniry E.J., Leyson, G., Grabowski, B., Neugebauer, J., Jour. Mat. 66 (2014) 1399 Madsen, G. K. H, McEniry, E.J., Drautz, R., Phys. Rev. B. 83 (2011) 184119 McEniry, E.J., Madsen, G. K. H., Drain, J. F., Drautz, R., J. Phys.: Condens. Matter 23 (2011) 276004 McEniry, E.J., Drautz, R., Madsen, G. K. H., J. Phys.: Condens. Matter 25 (2013) 115502 McEniry, E.J., Hickel, T., Neugebauer, J. Phil. Trans. A. 375 (2017) 20160402 McEniry, E.J., Hickel, T., Neugebauer, J. Acta Mat. 150 (2018) 53 Nazarov, R., Hickel, T. Neugebauer, J. Phys. Rev. B. 82 (2010) 224104 Paxton, A.T. and Finnis, M. W., Phys. Rev. B. 77 (2008) 024428 Slater, J.C., and Koster, G. F., Phys. Rev. 94 (1954) 1498 Sutton, A. P., Finnis, M.W., Pettifor, D. G., Ohta, Y., J. Phys. C.: Solid State Phys. 21 (1988) 35
Made with FlippingBook. PDF to flipbook with ease