Computational Materials Science

Journal Abbreviation: COMP MATER SCI
ISSN: 0927-0256
Publisher: Elsevier

Publications (30)


Types of publications

Journal article
Unpublished / Preprint

Publication year



An effective Fourier spectral phase-field approach for ferroelectric materials (2023) Durdiev D, Wendler F Journal article Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten (2022) Hiremath P, Melin S, Bitzek E, Olsson PA Journal article An automated approach for developing neural network interatomic potentials with FLAME (2021) Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi SA, Kühne TD Journal article Multi-material model for the simulation of powder bed fusion additive manufacturing (2021) Küng V, Scherr R, Markl M, Körner C Journal article Grain boundary interaction based on gradient crystal inelasticity and decohesion (2020) Spannraft L, Ekh M, Larsson F, Runesson K, Steinmann P Journal article Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS (2020) Guénolé J, Nöhring WG, Vaid A, Houlle F, Xie Z, Prakash A, Bitzek E Journal article Combined molecular dynamics and phase-field modelling of crack propagation in defective graphene (2019) Hansen-Doerr AC, Wilkens L, Croy A, Dianat A, Cuniberti G, Kaestner M Journal article On the influence of the compliant electrodes on the mechanical behavior of VHB 4905 (2019) Mehnert M, Steinmann P Journal article DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale (2019) Roters F, Diehl M, Shanthraj P, Eisenlohr P, Reuber C, Wong SL, Maiti T, et al. Journal article Numerical microstructure prediction by a coupled finite element cellular automaton model for selective electron beam melting (2019) Köpf J, Soldner D, Ramsperger M, Mergheim J, Markl M, Körner C Journal article, Original article
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