Journal Article (587)
381.
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 382.
Journal Article
91 (21), 214311 (2015)
Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 383.
Journal Article
92, pp. 55 - 63 (2015)
Origin of shear induced β to ω transition in Ti–Nb-based alloys. Acta Materialia 384.
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 385.
Journal Article
117 (19), 195301 (2015)
Growth and oxidization stability of cubic Zr1-xGdxN solid solution thin films. Journal of Applied Physics 386.
Journal Article
90, pp. 69 - 76 (2015)
A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 387.
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 388.
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 389.
Journal Article
252 (5), pp. 855 - 865 (2015)
Ab initio-based bulk and surface thermodynamics of InGaN alloys: Investigating the effects of strain and surface polarity. Physica Status Solidi B 390.
Journal Article
9 (5), pp. 321 - 325 (2015)
Interplay of strain and interdiffusion in Heusler alloy bilayers. Physica Status Solidi (RRL) - Rapid Research Letters 391.
Journal Article
89, pp. 50 - 59 (2015)
Multiscale description of dislocation induced nano-hydrides. Acta Materialia 392.
Journal Article
85, pp. 53 - 66 (2015)
Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Materialia 393.
Journal Article
5, 7841 (2015)
Velocity-strengthening friction significantly affects interfacial dynamics, strength and dissipation. Scientific Reports 394.
Journal Article
67 (1), pp. 120 - 128 (2015)
ICME for Crashworthiness of TWIP Steels: From Ab Initio to the Crash Performance. JOM 395.
Journal Article
2 (4), pp. 319 - 345 (2015)
A multiscale perspective on the kinetics of solid state transformations with application to bainite formation. AIMS Materials Science 396.
Journal Article
631, pp. 190 - 195 (2015)
Connecting semiconductor defect chemistry with electrochemistry: Impact of the electrolyte on the formation and concentration of point defects in ZnO. Surface Science 397.
Journal Article
180, pp. 97 - 112 (2015)
Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions 398.
Journal Article
90 (24), 245301 (2014)
Ordering phenomena and formation of nanostructures in InxGa1−xN layers coherently grown on GaN(0001). Physical Review B 399.
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 400.
Journal Article
90 (24), 241201 (2014)
Origin of the unusually strong luminescence of a-type screw dislocations in GaN. Physical Review B