Publications
Journal Article (50)
1.
Journal Article
94 (24), 241112 (2016)
First-principles calculation of the elastic dipole tensor of a point defect: Application to hydrogen in α -zirconium. Physical Review B 2.
Journal Article
120 (21), 215103 (2016)
Experimental and theoretical investigation of Cr1-xScxN solid solutions for thermoelectrics. Journal of Applied Physics 3.
Journal Article
3 (4), 041303 (2016)
Polarity in GaN and ZnO: Theory, measurement, growth, and devices. Applied Physics Reviews 4.
Journal Article
9 (6), 1642010 (2016)
Interface effects on the magnetic properties of layered Ni2MnGa/Ni2MnSn alloys: A first-principles investigation. Functional Materials Letters 5.
Journal Article
117 (20), 205502 (2016)
Lattice vibrations change the solid solubility of an alloy at high temperatures. Physical Review Letters 6.
Journal Article
94 (13), 134106 (2016)
Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces. Physical Review B 7.
Journal Article
94 (16), 165413 (2016)
Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries. Physical Review B 8.
Journal Article
28 (35), pp. 7753 - 7757 (2016)
Deformation-Induced Martensite: A New Paradigm for Exceptional Steels. Advanced Materials 9.
Journal Article
94 (10), 104109 (2016)
Interplay between interstitial displacement and displacive lattice transformations. Physical Review B 10.
Journal Article
11 (5), 055006 (2016)
Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study. Bioinspiration & Biomimetics 11.
Journal Article
18 (9), p. 321 - 321 (2016)
Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment. Entropy 12.
Journal Article
94 (5), 054111 (2016)
Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Physical Review B 13.
Journal Article
94 (5), 054104 (2016)
Carbon-rich icosahedral boron carbides beyond B4 C and their thermodynamic stabilities at high temperature and pressure from first principles. Physical Review B 14.
Journal Article
28 (38), 385001 (2016)
The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation. Journal of Physics: Condensed Matter 15.
Journal Article
94 (1), 014116 (2016)
Configurationally exhaustive first-principles study of a quaternary superalloy with a vast configuration space. Physical Review B 16.
Journal Article
113, pp. 311 - 319 (2016)
From electronic structure to phase diagrams: A bottom-up approach to understand the stability of titanium-transition metal alloys. Acta Materialia 17.
Journal Article
93 (21), 214115 (2016)
Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron. Physical Review B 18.
Journal Article
120 (23), pp. 12890 - 12899 (2016)
Structure and Bonding in Amorphous Cr1-xCx Nanocomposite Thin Films: X-ray Absorption Spectra and First-Principles Calculations. The Journal of Physical Chemistry C 19.
Journal Article
112, pp. 171 - 183 (2016)
The role of metastable LPSO building block clusters in phase transformations of an Mg–Y–Zn alloy. Acta Materialia 20.
Journal Article
119 (22), 224305 (2016)
Selective-area growth of GaN nanowires on SiO2-masked Si (111) substrates by molecular beam epitaxy. Journal of Applied Physics