Publications
A. Riyahi khorasgani, J. Kundin, S. V. Divinski, et al. Reassessment of mobility parameters for Cantor high entropy alloys through an automated procedure CALPHAD Journal 79 102498 (2022) abstract
K. Ciftci, K. Hackl, Model-free data-driven simulation of inelastic materials using structured data sets, tangent space information and transition rules Computational Mechanics 70 425–435 (2022) abstract
I. Pietka, R. Drautz, T. Hammerschmidt, strucscan: A lightweight Python-based framework for high-throughput material simulation Journal of Open Source Software 7 4719 (2022) abstract
L. Zhao, Y. Fu, J. Zhang, et al. Thermal softening-suppressed inter-granular embrittlement of polycrystalline 3C-SiC under diamond cutting Materials & Design 223 111250 (2022) abstract
L. Zhao, J. Zhang, A. Hartmaier, et al. Formation of high density stacking faults in polycrystalline 3C-SiC by vibration-assisted diamond cutting Journal of the European Ceramic Society 42 5448-5457 (2022) abstract
B. Xiao, Y. Lysogorskiy, A. Savan, et al. Correlations of composition, structure, and hardness in the high-entropy alloy system Nb–Mo–Ta–W High Entropy Alloys and Materials 1 1-22 (2022) abstract
A. Lagogianni, F. Varnik, Temperature rise inside shear bands in a simple model glass International Journal of Molecular Sciences 23 12159 (2022) abstract
N. Sayer, E. Natkowski, P. Sonnweber-Ribic, et al. A novel microscale fatigue failure indicator considering plastic irreversibility for microstructure-based lifetime simulation International Journal of Fatigue 163 107115 (2022) abstract
A. Klomp, R. Khachaturyan, T. Wallis, et al. Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling Phys. Rev. Materials 6 104411 (2022) abstract
A. Lagogianni, F. Varnik, Temperature rise inside shear bands in a simple model glass International Journal of Molecular Sciences 23 12159 (2022) abstract
F. Shen, S. Münstermann, J. Lian, A unified fracture criterion considering stress state dependent transition of failure mechanisms in bcc steels at –196 °C International Journal of Plasticity 159 103365 (2022) abstract
D. Szeliga, Y. Chang, L. Madej, et al. Correlating the microstructural heterogeneity with local formability of cold‐rolled dual‐phase and complex‐phase steels through hardness gradients steel research international 93 2200130 (2022) abstract
A. Dimou, P. Hirel, A. Grünebohm, Pinning of domain walls by strontium layer in BaTiO3 perovskite: an atomic-scale study Phys. Rev. B 106 094104 (2022) abstract
S. J. J. Ramakers, A. Marusczyk, M. Amsler, et al. Effects of thermal, elastic, and surface properties on the stability of SiC polytypes Physical Review B 106 075201 (2022) abstract
D. Wingender, D. Balzani, Simulation of crack propagation through voxel-based, heterogeneous structures based on eigenerosion and finite cells Computational Mechanics 70 385–406 (2022) abstract
A. Nammalvar Raja Rajan, M. Krochmal, T. Wegener, et al. Micromechanical modeling of AlSi10Mg processed by laser-based additive manufacturing: from as-built to heat-treated microstructures Materials 15 5562 (2022) abstract
M. Meischein, A. Garzón-Manjón, T. Hammerschmidt, et al. Elemental (im-)miscibility determines phase formation of multinary nanoparticles co-sputtered in ionic liquids Nanoscale Advances 4 3855–3869 (2022) abstract
A. Durmaz, E. Natkowski, N. Arnaudov, et al. Micromechanical fatigue experiments for validation of microstructure-sensitive fatigue simulation models International Journal of Fatigue 160 106824 (2022) abstract
M. Kroll, T. K. Schmalofski, H. Dette, et al. Efficient prediction of grain boundary energies from atomistic simulations via sequential design Advanced Theory and Simulations 5 2100615 (2022) abstract
A. Dash, A. Paul, S. Sen, et al. Recent advances in understanding diffusion in multiprincipal element systems Annual Review of Materials Research 52 383-409 (2022) abstract
V. Stieve, M. Blaszczyk, K. Hackl, Inverse modeling of cancellous bone using artificial neural networks ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik 102 202100541 (2022) abstract
C.-H. Xia, J. Kundin, I. Steinbach, et al. Model for non-equilibrium vacancy diffusion applied to study the Kirkendall effect in high-entropy alloys Acta Materialia 232 117966 (2022) abstract
M. M. Bruns, F. Varnik, Enhanced dynamics in deep thermal cycling of a model glass The Journal of Chemical Physics 156 234501 (2022) abstract
R. Khachaturyan, A. Dimou, A. Grünebohm, Domain wall acceleration by ultrafast field application: an ab initio‐based molecular dynamics study Physica status solidi (RRL) – Rapid Research Letters 16 2200038 (2022) abstract
J. Schmidt, A. Biswas, N. Vajragupta, et al. Data-oriented description of texture-dependent anisotropic material behavior Modelling and Simulation in Materials Science and Engineering 30 065001 (2022) abstract
J.-H. Kang, J. Park, K. Song, et al. Microstructure analyses and phase-field simulation of partially divorced eutectic solidification in hypoeutectic Mg-Al alloys Journal of Magnesium and Alloys 10 1672-1679 (2022) abstract
H. Kulik, T. Hammerschmidt, J. Schmidt, et al. Roadmap on machine learning in electronic structure Electronic Structure 4 023004 (2022) abstract
M. Ramaswamy Guru Prasad, A. Biswas, N. Vajragupta, et al. Identification of texture characteristics for improved creep behavior of a L-PBF fabricated IN738 alloy through micromechanical simulations Modeling and Simulation in Materials Science and Engineering 30 055007 (2022) abstract
M. A. Stricker, M. Ziemann, M. Walter, et al. Dislocation structure analysis in the strain gradient of torsion loading: a comparison between modelling and experiment Modelling and Simulation in Materials Science and Engineering 30 035007 (2022) abstract
H. Wang, K. Uhlmann, V. Vedula, et al. Fluid-structure interaction simulation of tissue degradation and its effects on intra-aneurysm hemodynamics Biomechanics and Modeling in Mechanobiology 21 671–683 (2022) abstract
S. Starikov, D. Smirnova, T. Pradhan, et al. Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system Physical Review Materials 6 043604 (2022) abstract
H. Wang, K. Uhlmann, V. Vedula, et al. Fluid-structure interaction simulation of tissue degradation and its effects on intra-aneurysm hemodynamics Biomechanics and Modeling in Mechanobiology 21 671–683 (2022) abstract
A. Obaied, Developing state of the art materials informatics methods for Calphad modeling of multicomponent materials PhD Thesis Ruhr-Universität Bochum abstract
A. Neogi, R. Janisch, Unravelling the lamellar size-dependent fracture behavior of fully lamellar intermetallic γ -TiAl Acta Materialia 227 117698 (2022) abstract
R. Shoghi, A. Hartmaier, Optimal data-generation strategy for machine learning yield functions in anisotropic plasticity Frontiers in Materials 9 879614154 (2022) abstract
U. Nwachukwu, A. Obaied, O. Horst, et al. Microstructure property classification of Nickel-based Superalloys using Deep Learning Modelling and Simulation in Materials Science and Engineering 30 025009 (2022) abstract
A. Biswas, S. Kalidindi, A. Hartmaier, A hybrid approach for the efficient computation of polycrystalline yield loci with the accuracy of the crystal plasticity finite element method Modelling and Simulation in Materials Science and Engineering 30 025015 (2022) abstract
I. S. Gordeev, L. Kolotova, S. Starikov, Formation of metastable aluminum silicide as intermediate stage of Al-Si alloy crystallization Scripta Materialia 210 114481 (2022) abstract
A. Grünebohm, M. Marathe, R. Khachaturyan, et al. Interplay of domain structure and phase transitions: theory, experiment and functionality Journal of Physics: Condensed Matter 34 073002 (2022) abstract
S. Li, N. Vajragupta, A. Biswas, et al. Effect of microstructure heterogeneity on the mechanical properties of friction stir welded reduced activation ferritic/martensitic steel Scripta Materialia 207 114306 (2022) abstract
M. M. Bruns, F. Varnik, Rejuvenation in deep thermal cycling of a generic model glass: a study of per-particle energy distribution Materials 15 829 (2022) abstract
M. Schröter, H. C. Herper, A. Grünebohm, Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution Journal of Physics D: Applied Physics 55 025002 (2022) abstract
A. Bochkarev, Y. Lysogorskiy, S. Menon, et al. Efficient parametrization of the atomic cluster expansion Phys. Rev. Materials 6 013804 (2022) abstract
T. Hammerschmidt, J. Rogal, E. Bitzek, et al. Atomic-scale modeling of superalloys Nickel base single crystals across length scales ELSEVIER 341-360 (2022) abstract
D. Zuo, Y. He, S. Avril, et al. A thermodynamic framework for unified continuum models for the healing of damaged soft biological tissue Journal of the Mechanics and Physics of Solids 158 104662 (2022) abstract
H. Li, X. Wang, J. Zhang, et al. Experimental investigation of laser surface texturing and related biocompatibility of pure titanium The International Journal of Advanced Manufacturing Technology 119 5993–6005 (2022) abstract
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