Publications
Journal Article (22)
1.
Journal Article
98, 224106 (2018)
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B 2.
Journal Article
121 (25), 255502 (2018)
Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. Physical Review Letters 3.
Journal Article
4 (1), 64 (2018)
A machine learning approach to model solute grain boundary segregation. npj Computational Materials 4.
Journal Article
3, 900 (2018)
GB code: A grain boundary generation code. The Journal of Open Source Software 5.
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 6.
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 7.
Journal Article
98 (9), 094413 (2018)
Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 8.
Journal Article
98 (6), 064105 (2018)
Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 9.
Journal Article
113, pp. 126 - 136 (2018)
Microstructural mechanisms of fatigue crack non-propagation in TRIP-maraging steels. International Journal of Fatigue 10.
Journal Article
153, pp. 257 - 269 (2018)
Multiresolution mechanical characterization of hierarchical materials: Spherical nanoindentation on martensitic Fe–Ni–C steels. Acta Materialia 11.
Journal Article
30 (29), 29LT01 (2018)
Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 12.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 13.
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 14.
Journal Article
2 (4), 043601 (2018)
Migration mechanisms of a faceted grain boundary. Physical Review Materials 15.
Journal Article
8 (4), 280 (2018)
Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 16.
Journal Article
134, pp. 131 - 139 (2018)
Corrosion behavior of an equiatomic CoCrFeMnNi high-entropy alloy compared with 304 stainless steel in sulfuric acid solution. Corrosion Science 17.
Journal Article
147, pp. 236 - 246 (2018)
In-situ SEM observation of phase transformation and twinning mechanisms in an interstitial high-entropy alloy. Acta Materialia 18.
Journal Article
2 (3), 030601 (2018)
Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials 19.
Journal Article
53 (6), pp. 4294 - 4305 (2018)
Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics 20.
Journal Article
51 (10), 105601, pp. 1 - 10 (2018)
Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics