Journal Article (534)
181.
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 182.
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 183.
Journal Article
2 (9), 093606 (2018)
110 planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials 184.
Journal Article
11 (9), 1732 (2018)
Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study. Materials 185.
Journal Article
98 (9), 094413 (2018)
Assessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 186.
Journal Article
98 (6), 064105 (2018)
Lattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 187.
Journal Article
20 (9), 655 (2018)
Impact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 188.
Journal Article
6 (8), pp. 1429 - 1447 (2018)
Coupling Phenomena in Magnetocaloric Materials. Energy Technology 189.
Journal Article
2 (7), 073801 (2018)
Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 190.
Journal Article
121 (015702), 015702, pp. 1 - 5 (2018)
Strain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries. Physical Review Letters 191.
Journal Article
106, pp. 48 - 56 (2018)
Origin of the sensitivity in modeling the glide behaviour of dislocations. International Journal of Plasticity 192.
Journal Article
97 (21), 214106 (2018)
Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B 193.
Journal Article
30 (29), 29LT01 (2018)
Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 194.
Journal Article
120 (24), 246801 (2018)
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 195.
Journal Article
97 (22), 224102 (2018)
Adaptive modulation in the Ni2Mn1.4In0.6 magnetic shape-memory Heusler alloy. Physical Review B 196.
Journal Article
8 (6), 430, pp. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 197.
Journal Article
8 (6), 065301 (2018)
Ab-initio study of boron incorporation and compositional limits at GaN and AlN (0001) surfaces. AIP Advances 198.
Journal Article
148, pp. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 199.
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 200.
Journal Article
97 (20), 205425 (2018)
First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields. Physical Review B