Veröffentlichungen
Zeitschriftenartikel (21)
1.
Zeitschriftenartikel
86 (5/1), 060601 (2012)
Kinetic cross coupling between nonconserved and conserved fields in phase field models. Physical Review E 2.
Zeitschriftenartikel
407 (23), S. 4350 - 4536 (2012)
Thermodynamic and physical properties of FeAl and Fe3Al: An atomistic study by EAM simulation. Physica B-Condensed Matter 3.
Zeitschriftenartikel
5 (10), S. 1853 - 1872 (2012)
Theory-Guided Materials Design of Multi-Phase Ti–Nb Alloys with Bone-Matching Elastic Properties. Materials 4.
Zeitschriftenartikel
358 (17), S. 2063 - 2066 (2012)
The dangling-bond defect in amorphous silicon: Statistical random versus kinetically driven defect geometries. Journal of Non-Crystalline Solids 5.
Zeitschriftenartikel
86 (2), S. 021603-1 - 021603-7 (2012)
Solidification in syntectic and monotectic systems. Physical Review E 6.
Zeitschriftenartikel
112, S. 033510-1 - 033510-6 (2012)
Reconstructions and electronic structure of (11-22) and (11-2-2) semipolar AlN surfaces. Journal of Applied Physics 7.
Zeitschriftenartikel
14 (8), S. 547 - 561 (2012)
Ab Initio-Based Prediction of Phase Diagrams: Application to Magnetic Shape Memory Alloys. Advanced Engineering Materials 8.
Zeitschriftenartikel
14 (7), S. 073009-1 - 073009-14 (2012)
Resonant charging and stopping power of slow channelling atoms in a crystalline metal. New Journal of Physics 9.
Zeitschriftenartikel
44 (3-5), S. 183 - 188 (2012)
A flexible, plane-wave based multiband k . p model. Optical and Quantum Electronics 10.
Zeitschriftenartikel
425 (1-3), S. 33 - 40 (2012)
A new directional model for the electronic frictional forces in molecular dynamics simulations of radiation damage in metals. Journal of Nuclear Materials 11.
Zeitschriftenartikel
85 (19), 195202, S. 1 - 8 (2012)
Ab initio EPR parameters for dangling-bond defect complexes in silicon: Effect of Jahn-Teller distortion. Physical Review B 12.
Zeitschriftenartikel
85 (15), S. 155144-1 - 155144-10 (2012)
Solution enthalpy of hydrogen in fourth row elements: Systematic trends derived from first principles. Physical Review B 13.
Zeitschriftenartikel
85 (14), 144118 (2012)
Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes. Physical Review B 14.
Zeitschriftenartikel
60 (6-7), S. 3011 - 3021 (2012)
The relation between ductility and stacking fault energies in Mg and Mg–Y alloys. Acta Materialia 15.
Zeitschriftenartikel
37, S. 77 - 86 (2012)
Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry 16.
Zeitschriftenartikel
85, S. 060301-1 - 060301-4 (2012)
High-temperature phonon stabilization of gamma-uranium from relativistic first-principles theory. Physical Review B 17.
Zeitschriftenartikel
100, S. 092103-1 - 092103-4 (2012)
Strong dipole coupling in nonpolar nitride quantum dots due to Coulomb effects. Applied Physics Letters 18.
Zeitschriftenartikel
85, S. 125104-1 - 125104-5 (2012)
Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. Physical Review B 19.
Zeitschriftenartikel
85, S. 064101-1 - 064101-9 (2012)
Trends in the elastic response of binary early transition metal nitrides. Physical Review B 20.
Zeitschriftenartikel
60 (4), S. 1594 - 1602 (2012)
First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloy. Acta Materialia