Journal Article (587)
361.
Journal Article
24 (6), 065005 (2016)
Solute strengthening at high temperatures. Modelling and Simulation in Materials Science and Engineering 362.
Journal Article
102, pp. 241 - 250 (2016)
Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia 363.
Journal Article
6 (36), pp. 30710 - 30721 (2016)
The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations. RSC Advances 364.
Journal Article
18 (18), pp. 12682 - 12688 (2016)
Phase stability of the nanolaminates V2Ga2C and (Mo1-xVx)2Ga2C from first-principles calculations. Physical Chemistry Chemical Physics 365.
Journal Article
92 (24), 245202 (2015)
Difference in linear polarization of biaxially strained InxGa1-xN alloys on nonpolar a-plane and m-plane GaN. Physical Review B 366.
Journal Article
92 (17), 174119 (2015)
Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles. Physical Review B 367.
Journal Article
92 (17), 174115 (2015)
Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 368.
Journal Article
100, pp. 90 - 97 (2015)
Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. Acta Materialia 369.
Journal Article
280, pp. 174 - 184 (2015)
Control of Ti1−xSixN nanostructure via tunable metal-ion momentum transfer during HIPIMS/DCMS co-deposition. Surface and Coatings Technology 370.
Journal Article
99, pp. 281 - 289 (2015)
Structural transformations among austenite, ferrite and cementite in Fe–C alloys: A unified theory based on ab initio simulations. Acta Materialia 371.
Journal Article
92 (13), 134107 (2015)
Development and application of a Ni–Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B 372.
Journal Article
107 (14), 142404 (2015)
“Treasure maps” for magnetic high-entropy-alloys from theory and experiment. Applied Physics Letters 373.
Journal Article
108 (B), 6403, pp. 293 - 300 (2015)
From wetting to melting along grain boundaries using phase field and sharp interface methods. Computational Materials Science 374.
Journal Article
17 (9), 093009 (2015)
Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New Journal of Physics 375.
Journal Article
17 (9), 093004 (2015)
Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases. New Journal of Physics 376.
Journal Article
252 (9), pp. 1907 - 1924 (2015)
Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B 377.
Journal Article
92 (8), 085204, pp. 5204 - 5210 (2015)
Role of biaxial strain and microscopic ordering for structural and electronic properties of InxGa1-xN. Physical Review B 378.
Journal Article
98, 12303, pp. 367 - 376 (2015)
Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Materialia 379.
Journal Article
92 (6), 064107 (2015)
From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium. Physical Review B 380.
Journal Article
111 (4), 48004 (2015)
Aging in amorphous solids: A study of the first-passage time and persistence time distributions. EPL