Computational Materials Science
Journal Abbreviation:  COMP MATER SCI  
ISSN: 0927-0256
Publisher: Elsevier
  
Publications (30)
  
    
        
    
        
    
    
    
        
            
                
  
  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