Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni
作者： Xi Zhang , Blazej Grabowski , Fritz Körmann , Andrei V. Ruban , Yilun Gong
DOI: 10.1103/PHYSREVB.98.224106
关键词:
摘要: The temperature-dependent intrinsic stacking fault Gibbs energy is computed based on highly converged density-functional-theory (DFT) calculations for the three prototype face-centered cubic metals ...
mpg.de
harvard.edu
tudelft.nl参考文章(145)
A Seeger, G Schöck, Die aufspaltung von versetzungen in metallen dichtester kugelpackung Acta Metallurgica. ,vol. 1, pp. 519- 530 ,(1953) , 10.1016/0001-6160(53)90082-0
Hiroyasu Saka, Factors affecting the dissociation width of dissociated dislocations in FCC metals and alloys Journal of Materials Science. ,vol. 51, pp. 405- 424 ,(2016) , 10.1007/S10853-015-9335-Z
A. Glensk, B. Grabowski, T. Hickel, J. Neugebauer, Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation. Physical Review Letters. ,vol. 114, pp. 195901- 195901 ,(2015) , 10.1103/PHYSREVLETT.114.195901
F. Körmann, T. Hickel, J. Neugebauer, Influence of magnetic excitations on the phase stability of metals and steels Current Opinion in Solid State & Materials Science. ,vol. 20, pp. 77- 84 ,(2016) , 10.1016/J.COSSMS.2015.06.001
Xiao-Zhi Wu, Li-Li Liu, Rui Wang, Qing Liu, The generalized planar fault energy, ductility, and twinnability of Al and Al?RE (RE = Sc, Y, Dy, Tb, Nd) at different temperatures: A first-principles study Chinese Physics B. ,vol. 23, pp. 066104- ,(2014) , 10.1088/1674-1056/23/6/066104
Andrei Reyes-Huamantinco, Peter Puschnig, Claudia Ambrosch-Draxl, Oleg E. Peil, Andrei V. Ruban, Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles Physical Review B. ,vol. 86, pp. 060201- ,(2012) , 10.1103/PHYSREVB.86.060201
I.A. Abrikosov, A.V. Ponomareva, P. Steneteg, S.A. Barannikova, B. Alling, Recent progress in simulations of the paramagnetic state of magnetic materials Current Opinion in Solid State & Materials Science. ,vol. 20, pp. 85- 106 ,(2016) , 10.1016/J.COSSMS.2015.07.003
Fritz Körmann, Abed Al Hasan Breidi, Sergei L. Dudarev, Nathalie Dupin, Gautam Ghosh, Tilmann Hickel, Pavel Korzhavyi, Jorge A. Muñoz, Ikuo Ohnuma, Lambda transitions in materials science: Recent advances in CALPHAD and first‐principles modelling Physica Status Solidi B-basic Solid State Physics. ,vol. 251, pp. 53- 80 ,(2014) , 10.1002/PSSB.201350136
Hideaki Sawada, Kazuto Kawakami, Fritz Körmann, Blazej Grabowski, Tilmann Hickel, Jörg Neugebauer, Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics Acta Materialia. ,vol. 102, pp. 241- 250 ,(2016) , 10.1016/J.ACTAMAT.2015.09.010
Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel, Jörg Neugebauer, Georg Kresse, Anderson Janotti, Chris G. Van de Walle, First-principles calculations for point defects in solids Reviews of Modern Physics. ,vol. 86, pp. 253- 305 ,(2014) , 10.1103/REVMODPHYS.86.253