Zeitschriftenartikel (41)
21.
Zeitschriftenartikel
30 (29), 29LT01 (2018)
Stability of SnSe1-xSx solid solutions revealed by first-principles cluster expansion. Journal of Physics: Condensed Matter 22.
Zeitschriftenartikel
120 (24), 246801 (2018)
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 23.
Zeitschriftenartikel
97 (22), 224102 (2018)
Adaptive modulation in the Ni2Mn1.4In0.6 magnetic shape-memory Heusler alloy. Physical Review B 24.
Zeitschriftenartikel
8 (6), 430, S. 1 - 16 (2018)
Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 25.
Zeitschriftenartikel
8 (6), 065301 (2018)
Ab-initio study of boron incorporation and compositional limits at GaN and AlN (0001) surfaces. AIP Advances 26.
Zeitschriftenartikel
148, S. 249 - 259 (2018)
Calculating free energies of point defects from ab initio. Computational Materials Science 27.
Zeitschriftenartikel
97 (17), 174104 (2018)
Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 28.
Zeitschriftenartikel
97 (20), 205425 (2018)
First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields. Physical Review B 29.
Zeitschriftenartikel
150, S. 53 - 58 (2018)
Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia 30.
Zeitschriftenartikel
2 (4), 043601 (2018)
Migration mechanisms of a faceted grain boundary. Physical Review Materials 31.
Zeitschriftenartikel
8 (4), 280 (2018)
Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 32.
Zeitschriftenartikel
97 (14), 140506 (2018)
Pressure effects on the electronic properties of the undoped superconductor ThFeAsN. Physical Review B 33.
Zeitschriftenartikel
2 (3), 030601 (2018)
Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles. Physical Review Materials 34.
Zeitschriftenartikel
53 (6), S. 4294 - 4305 (2018)
Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds. Journal of Materials Science: Materials in Electronics 35.
Zeitschriftenartikel
4 (1), 7 (2018)
Temperature-dependent phonon spectra of magnetic random solid solutions. npj Computational Materials 36.
Zeitschriftenartikel
2, 023804, S. 1 - 6 (2018)
Tetragonal fcc-Fe induced by κ-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physical Review Materials 37.
Zeitschriftenartikel
51 (10), 105601, S. 1 - 10 (2018)
Impact of local electrostatic field rearrangement on field ionization. Journal of Physics D: Applied Physics 38.
Zeitschriftenartikel
120 (6), 066101 (2018)
Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters 39.
Zeitschriftenartikel
97 (3), 035152 (2018)
Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture. Physical Review B 40.
Zeitschriftenartikel
2 (1), 011601 (2018)
Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells. Physical Review Materials