Publications
Journal Article (33)
1.
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 2.
Journal Article
92 (17), 174119 (2015)
Large piezoelectric response of quarternary wurtzite nitride alloys and its physical origin from first principles. Physical Review B 3.
Journal Article
92 (17), 174115 (2015)
Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B 4.
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 5.
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 6.
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 7.
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 8.
Journal Article
107 (14), 142404 (2015)
“Treasure maps” for magnetic high-entropy-alloys from theory and experiment. Applied Physics Letters 9.
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 10.
Journal Article
17 (9), 093009 (2015)
Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New Journal of Physics 11.
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 12.
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 13.
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 14.
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 15.
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 16.
Journal Article
111 (4), 48004 (2015)
Aging in amorphous solids: A study of the first-passage time and persistence time distributions. EPL 17.
Journal Article
92 (1), 014202 (2015)
Configurational order-disorder induced metal-nonmetal transition in B13C2 studied with first-principles superatom-special quasirandom structure method. Physical Review B 18.
Journal Article
91 (21), 214311 (2015)
Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 19.
Journal Article
92, pp. 55 - 63 (2015)
Origin of shear induced β to ω transition in Ti–Nb-based alloys. Acta Materialia 20.
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