Computational Materials Science

Title Publication Date Language Citations
Topological changes and deformation mechanisms of nanoporous Ta under compression2024/03/01English
Surface Coulomb explosions: The influence of initial charge distributions1998/01/01English
Oscillatory behavior of interface exchange coupling caused by finite caps of variable thickness1998/02/01English
Parallel task processing in ab initio electronic structure calculations1998/04/01English
Numerical simulation of low-Mach number gas mixture flows with heat and mass transfer using unstructured grids1998/05/01English
Combined atomistic and mesoscale simulation of grain growth in nanocrystalline thin films2002/04/01English
Simulation of solidification and the resulting mechanical properties of polypropylene1996/12/01English
Surface states computation for AlAs and InSb1995/07/01English
Simulation of optical fiber growth in three dimensions1997/03/01English
Concentration-wave analysis of atomic pair correlations disordered ternary alloys: Application to Cu2NiZn1997/05/01English
Molecular dynamics in semiconductor physics1998/02/01English
Influence of particle cleavage on the creep behaviour of metal matrix composites1997/12/01English
Vibrational free energy in the Ni-Cr system1997/05/01English
Large-scale simulations of brittle and ductile failure in fcc crystals1998/02/01English
Thermodynamics of binary alloy thin films1997/05/01English
Characteristics of boron and nitrogen species on aluminum surface2002/04/01English
Continuum and atomistic modeling of electromechanically-induced failure of ductile metallic thin films2002/04/01English
A parallel multigrid solver applied to the simulation of thermal oxidation and diffusion processes1998/04/01English
Ultra strong polymer fibers: Ab initio calculations on polyethylene1998/02/01English
Elasto-plastic damage-theories and elasto-plastic fracturing-theories – a comparison1998/12/01English
Dynamics and mechanics below the glass transition: The non-equilibrium state1995/11/01English
The atomic displacement static waves inside a zone of elastic to plastic transformation1998/01/01English
Finite element simulation of crack initiation in hard two-phase materials1996/02/01English
Introduction of a hybrid model for the discrete 3D simulation of dislocation dynamics1998/03/01English
Analyzing the impact of substitution on the temperature-sensitive release of doxorubicin in an imine-based covalent organic framework using molecular dynamics2024/03/01English
Implications of the micromechanical Taylor Factor on work hardening parameters: New perspectives from FFT simulations in DAMASK2024/03/01English
Tailoring of band alignments and magnetic properties in two-dimensional CrBr3/MoS2 van der Waals heterobilayer2024/03/01English
Modulating superdislocation cores and planar faults of Ni3Al through applied stresses2024/03/01English
Novel formation and decay mechanisms of nanostructures on surface2002/04/01English
Interaction of a transonic dislocation with subsonic dislocation and point defect clusters2002/04/01English