Zeitschriftenartikel (50)
21.
Zeitschriftenartikel
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 22.
Zeitschriftenartikel
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 23.
Zeitschriftenartikel
118, S. 259 - 268 (2016)
A QM/MM approach for low-symmetry defects in metals. Computational Materials Science 24.
Zeitschriftenartikel
53, S. 72 - 77 (2016)
Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr3C2. Calphad 25.
Zeitschriftenartikel
111, S. 321 - 334 (2016)
Multiscale description of carbon-supersaturated ferrite in severely drawn pearlitic wires. Acta Materialia 26.
Zeitschriftenartikel
93 (18), 184108 (2016)
First-principles investigation of hydrogen interaction with TiC precipitates in alpha-Fe. Physical Review B 27.
Zeitschriftenartikel
93 (16), 165206 (2016)
Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B 28.
Zeitschriftenartikel
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 29.
Zeitschriftenartikel
89, S. 149 - 173 (2016)
Dynamic instabilities of frictional sliding at a bimaterial interface. Journal of the Mechanics and Physics of Solids 30.
Zeitschriftenartikel
20 (2), S. 77 - 84 (2016)
Influence of magnetic excitations on the phase stability of metals and steels. Current Opinion in Solid State and Materials Science 31.
Zeitschriftenartikel
107, S. 144 - 151 (2016)
Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation. Acta Materialia 32.
Zeitschriftenartikel
37 (2), S. 119 - 126 (2016)
Quaternary Al–Cu–Mg–Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations. Journal of Phase Equilibria 33.
Zeitschriftenartikel
41 (4), S. 320 - 325 (2016)
Ab initio-guided design of twinning-induced plasticity steels. MRS Bulletin 34.
Zeitschriftenartikel
93 (9), 094305 (2016)
Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibrium ab initio molecular dynamics. Physical Review B 35.
Zeitschriftenartikel
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 36.
Zeitschriftenartikel
106, S. 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 37.
Zeitschriftenartikel
93 (5), 054432 (2016)
Magnetic exchange interactions and critical temperature of the nanolaminate Mn2GaC from first-principles supercell methods. Physical Review B 38.
Zeitschriftenartikel
105, S. 199 - 206 (2016)
Ab initio calculations and experimental study of piezoelectric YxIn1-xN thin films deposited using reactive magnetron sputter epitaxy. Acta Materialia 39.
Zeitschriftenartikel
32 (4), S. 1027 - 1033 (2016)
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 40.
Zeitschriftenartikel
28 (7), 076002 (2016)
Impact of magnetic fluctuations on lattice excitations in fcc nickel. Journal of Physics: Condensed Matter