Journal Article (533)
281.
Journal Article
93 (22), 224411 (2016)
Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 282.
Journal Article
93 (21), 214105 (2016)
Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene. Physical Review B 283.
Journal Article
118, pp. 259 - 268 (2016)
A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 284.
Journal Article
53, pp. 72 - 77 (2016)
Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr3C2. Calphad 285.
Journal Article
111, pp. 321 - 334 (2016)
Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia 286.
Journal Article
93 (18), 184108 (2016)
First-principles investigation of hydrogen interaction with TiC precipitates in alpha-Fe. Physical Review B 287.
Journal Article
93 (16), 165206 (2016)
Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B 288.
Journal Article
144 (13), 134503 (2016)
Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics. The Journal of Chemical Physics 289.
Journal Article
89, pp. 149 - 173 (2016)
Dynamic instabilities of frictional sliding at a bimaterial interface. Journal of the Mechanics and Physics of Solids 290.
Journal Article
20 (2), pp. 77 - 84 (2016)
Influence of magnetic excitations on the phase stability of metals and steels. Current Opinion in Solid State and Materials Science 291.
Journal Article
107, pp. 144 - 151 (2016)
Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 292.
Journal Article
37 (2), pp. 119 - 126 (2016)
Quaternary Al–Cu–Mg–Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations. Journal of Phase Equilibria 293.
Journal Article
41 (4), pp. 320 - 325 (2016)
Ab initio-guided design of twinning-induced plasticity steels. MRS Bulletin 294.
Journal Article
93 (9), 094305 (2016)
Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 295.
Journal Article
119 (9), 095303 (2016)
Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag–Mo binary system. Journal of Applied Physics 296.
Journal Article
106, pp. 229 - 238 (2016)
Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel. Acta Materialia 297.
Journal Article
93 (5), 054432 (2016)
Magnetic exchange interactions and critical temperature of the nanolaminate Mn2GaC from first-principles supercell methods. Physical Review B 298.
Journal Article
105, pp. 199 - 206 (2016)
Ab initio calculations and experimental study of piezoelectric YxIn1-xN thin films deposited using reactive magnetron sputter epitaxy. Acta Materialia 299.
Journal Article
32 (4), pp. 1027 - 1033 (2016)
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 300.
Journal Article
28 (7), 076002 (2016)
Impact of magnetic fluctuations on lattice excitations in fcc nickel. Journal of Physics: Condensed Matter