Ab initio simulation of diffusion and segregation of alloying elements in the γ/γ’-microstructure of superalloys C2 All Bibtex Entries BibTEX
Y. Liang, G. Díaz Leines, R. Drautz, J. Rogal
J. Chem. Phys. 152 (2020) pp. 224504
Download BibTEX
S. Menon, G. Díaz Leines, R. Drautz, J. Rogal
J. Chem. Phys. 153 (2020) pp. 104508
Download BibTEX
Kinetic Monte Carlo simulations of vacancy diffusion in nondilute Ni-X (X=Re, W, Ta)
M. Grabowski, J. Rogal, R. Drautz
Phys. Rev. Mat. 2 (2018) article no.: 123402
Download BibTEX
BOPfox program for tight-binding and analytic bond-order potential calculations
T. Hammerschmidt, B.S eiser, M.E. Ford, A.N. Ladines, S. Schreiber, N. Wang, J. Jenke, Y. Lysogorskiy, C. Teijeiro, M. Mrovec, M. Cak, E.R. Margine, D.G. Pettifor, R. Drautz
Comp. Phys. Comm. 235 (2018) pp. 221-233
Download BibTEX
Development of single-crystal Ni-based superalloys based on multi-criteria numerical optimization and efficient use of refractory elements
M. Markl, A. Müller, N. Ritter, M. Hofmeister, D. Naujoks, H. Schaar, K. Abrahams, J. Frenzel, A.P.A. Subramanyam, A. Ludwig, J. Pfetzing-Micklich, T. Hammerschmidt, R. Drautz, I. Steinbach, R. Rettig, R.F. Singer, C. Körner
Met. Mat. Trans. A 49 (2018) pp. 4134-4145
Download BibTEX
Electronic structure based descriptor for characterizing local atomic environments
J. Jenke, A.P.A. Subramanyam, M. Densow, T. Hammerschmidt, D.G. Pettifor, R. Drautz
Phys. Rev. B 98 (2018) 144102 (1-12)
Download BibTEX
Diffusion of solutes in fcc Cobalt investigated by diffusion couples and first principles kinetic Monte Carlo
S. Neumeier, H.U. Rehman, J. Neuner, C.H. Zenk, S. Michel, S. Schuwalow, J. Rogal, R. Drautz, M. Goeken
Acta Mater. 106 (2016) pp. 304-312
Download BibTEX
Bond-order potentials: derivation and parameterization for refractory elements
R. Drautz, T. Hammerschmidt, M. Cak and D.G. Pettifor
Modell. Simul. Mater. Sci. Eng. 23 (2015) pp. 074004
Download BibTEX
On the role of Re in the stress and temperature dependence of creep of Ni-base single crystal superalloys
P. Wollgramm, H. Buck, K. Neuking, A.B. Parsa, S. Schuwalow, J. Rogal, R. Drautz, G. Eggeler
Mat. Sci. Eng. A 628 (2015) pp. 382-395
Download BibTEX
Perspectives on point defect thermodynamics
J. Rogal, S. Divinski, M.W. Finnis, A. Glensk, J. Neugebauer, J.H. Perepezko, S. Schuwalow, M.H.F. Sluiter, B. Sundman
Physica Status Solidi B 251 (2014) pp. 97-129
Download BibTEX
Vacancy mobility and interaction with transition metal solutes in Ni
S. Schuwalow, J. Rogal, R. Drautz
J. Phys.: Condens. Matter 26 (2014) article no.: 485014
Download BibTEX