Journal Article (213)
141.
Journal Article
119 (21), pp. 11438 - 11446 (2015)
Ab Initio Nonequilibrium Thermodynamic and Transport Properties of Ultrafast Laser Irradiated 316L Stainless Steel. The Journal of Physical Chemistry C 142.
Journal Article
91 (20), 201103 (2015)
Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au. Physical Review B 143.
Journal Article
114 (19), 195901 (2015)
Understanding anharmonicity in fcc Materials: From its origin to ab initio strategies beyond the quasiharmonic approximation. Physical Review Letters 144.
Journal Article
9 (5), pp. 321 - 325 (2015)
Interplay of strain and interdiffusion in Heusler alloy bilayers. Physica Status Solidi (RRL) - Rapid Research Letters 145.
Journal Article
67 (1), pp. 120 - 128 (2015)
ICME for Crashworthiness of TWIP Steels: From Ab Initio to the Crash Performance. JOM 146.
Journal Article
35 (31), pp. 2239 - 2244 (2014)
Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study. Journal of Computational Chemistry 147.
Journal Article
95, pp. 280 - 287 (2014)
A generalized plane-wave formulation of k · p formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructures. Computational Materials Science 148.
Journal Article
35 (6), pp. 695 - 700 (2014)
Ab Initio Predicted Impact of Pt on Phase Stabilities in Ni–Mn–Ga Heusler alloys. Journal of Phase Equilibra and Diffusion 149.
Journal Article
90 (18), 184102 (2014)
Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment. Physical Review B 150.
Journal Article
113 (16), 165503 (2014)
Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment. Physical Review Letters 151.
Journal Article
76, pp. 94 - 105 (2014)
Designing Heusler nanoprecipitates by elastic misfit stabilization in Fe–Mn maraging steels. Acta Materialia 152.
Journal Article
26 (33), 335401 (2014)
Reliability evaluation of thermophysical properties from first-principles calculations. Journal of Physics: Condensed Matter 153.
Journal Article
75, pp. 147 - 155 (2014)
Impact of nanodiffusion on the stacking fault energy in high-strength steels. Acta Materialia 154.
Journal Article
66 (8), pp. 1399 - 1405 (2014)
Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. JOM 155.
Journal Article
89 (17), 179901 (2014)
Erratum: Spin-wave method for the total energy of paramagnetic state (Phys. Rev. B (2012) 85 (174407)). Physical Review B 156.
Journal Article
87, pp. 274 - 282 (2014)
Influence of the dislocation core on the glide of the ½<111>{110} edge dislocation in bcc-iron: An embedded atom method study. Computational Materials Science 157.
Journal Article
89 (14), 144108 (2014)
Ab initio study of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies. Physical Review B 158.
Journal Article
86 (1), 253 (2014)
First-principles calculations for point defects in solids. Reviews of Modern Physics 159.
Journal Article
4 (1), 011018 (2014)
Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X 160.
Journal Article
251 (1), pp. 53 - 80 (2014)
Lambda transitions in materials science: Recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B