Publications
Journal Article (157)
1.
Journal Article
205, 116521 (2021)
Carbon redistribution in quenched and tempered lath martensite. Acta Materialia 2.
Journal Article
124, 106102 (2020)
Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 3.
Journal Article
5 (1), 80 (2019)
Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 4.
Journal Article
100 (10), 104110 (2019)
Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 5.
Journal Article
166, pp. 134 - 138 (2019)
Basal slip in laves phases: The synchroshear dislocation. Scripta Materialia 6.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 7.
Journal Article
121, 255502 (2018)
Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. Physical Review Letters 8.
Journal Article
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials 9.
Journal Article
3, 900 (2018)
GB code: A grain boundary generation code. The Journal of Open Access Software 10.
Journal Article
121 (12), 125902 (2018)
Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 11.
Journal Article
2 (9), 093608 (2018)
Resolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN. Physical Review Materials 12.
Journal Article
98 (9), 094413 (2018)
Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 13.
Journal Article
98 (6), 064105 (2018)
Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 14.
Journal Article
113, pp. 126 - 136 (2018)
Microstructural mechanisms of fatigue crack non-propagation in TRIP-maraging steels. International Journal of Fatigue 15.
Journal Article
153, pp. 257 - 269 (2018)
Multiresolution mechanical characterization of hierarchical materials: Spherical nanoindentation on martensitic Fe–Ni–C steels. Acta Materialia 16.
Journal Article
30 (29), 29LT01 (2018)
Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 17.
Journal Article
Self-reduction for protection of metallic materials. Chernye Metally (6), pp. 37 - 38 (2018)
18.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 19.
Journal Article
97 (17), 174104 (2018)
Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 20.
Journal Article
2 (4), 043601 (2018)
Migration mechanisms of a faceted grain boundary. Physical Review Materials