Publications
A. Neogi, R. Janisch, Twin-boundary assisted crack tip plasticity and toughening in lamellar γ -TiAl Acta Materialia 213 116924 (2021) abstract
A. A. Schratt, I. Steinbach, V. Mohles, Grain boundary energy landscape from the shape analysis of synthetically stabilized embedded grains Computational Materials Science 193 110384 (2021) abstract
M. Ramaswamy Guru Prasad, A. Neogi, N. Vajragupta, et al. Influence of temperature on void collapse in single crystal nickel under hydrostatic compression Materials 14 2369 (2021) abstract
M. M. Bruns, M. R. Hassani, F. Varnik, et al. Decelerated aging in metallic glasses by low temperature thermal cycling Physical Review Research 3 013234 (2021) abstract
E. Mahmoudinezhad Zirdehi, H. Dumlu, G. Eggeler, et al. On the size effect of additives in amorphous shape memory polymers Materials 14 327 (2021) abstract
L. Zhao, J. Zhang, A. Hartmaier, Atomistic investigation of machinability of monocrystalline 3C–SiC in elliptical vibration-assisted diamond cutting Ceramics International 47 2358-2366 (2021) abstract
M. A. Korneva, S. Starikov, A. P. Zhilyaev, et al. Atomistic modeling of grain boundary migration in nickel Advanced Engineering Materials 22 2000115 (2020) abstract
S. Menon, G. Díaz Leines, R. Drautz, et al. Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation The Journal of Chemical Physics 153 104508 (2020) abstract
A. A. Schratt, V. Mohles, Efficient calculation of the ECO driving force for atomistic simulations of grain boundary motion Computational Materials Science 182 109774 (2020) abstract
L. Zhao, M. Alam, J. Zhang, et al. Amorphization-governed elasto-plastic deformation under nanoindentation in cubic (3C) silicon carbide Ceramics International 46 12470–12479 (2020) abstract
Y. Liang, G. Díaz Leines, R. Drautz, et al. Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al The Journal of Chemical Physics 152 224504 (2020) abstract
M. R. Hassani, M. M. Bruns, F. Varnik, A crossover in spatio-temporal correlations of strain fluctuations in glass forming liquids Journal of Statistical Mechanics: Theory and Experiment (JSTAT) 2020 014002 (2020) abstract
J. Rogal, E. Schneider, M. Tuckerman, Neural-network-based path collective variables for enhanced sampling of phase transformations Physical Review Letters 123 245701 (2019) abstract
R. Drautz, Erratum: Atomic cluster expansion for accurate and transferable interatomic potentials Physical Review B 100 249901 (2019) abstract
L. Liu, Z. Xu, D. Tian, et al. MD simulation of stress-assisted nanometric cutting mechanism of 3C silicon carbide Industrial Lubrication and Tribology 71 686-691 (2019) abstract
M. R. Hassani, Shear banding in amorphous solids: from correlations of local plastic deformation to percolating shear bands, a molecular dynamics study PhD Thesis Faculty of mechanical engineering, Ruhr-Universität Bochum, Germany abstract
E. Mahmoudinezhad Zirdehi, F. Varnik, Non-monotonic effect of additive particle size on the glass transition in polymers The Journal of Chemical Physics 150 024903 (2019) abstract
R. Halver, W. Homberg, G. Sutmann, Benchmarking molecular dynamics with OpenCL on many-core architectures Parallel Processing and Applied Mathematics 10778 244-253 (2018) abstract
D. Smirnova, S. Starikov, I. S. Gordeev , Evaluation of the structure and properties for the high-temperature phase of zirconium from the atomistic simulations Computational Materials Science 152 51–59 (2018) abstract
X. Fu, Z. Xu, Z. He, et al. Molecular dynamics simulation of silicon ion implantation into diamond and subsequent annealing Nuclear Instruments and Methods in Physics Research B (2018) abstract
R. Hadian, B. Grabowski, M. Finnis, et al. Migration mechanisms of a faceted grain boundary Physical Review Materials 2 043601 (2018) abstract
E. Mahmoudinezhad Zirdehi, A. Marquardt, G. Eggeler, et al. Molecular dynamics simulations of entangled polymers: The effect of small molecules on the glass transition temperature Procedia Computer Science 108 265-271 (2017) abstract
W. Ko, S. Maisel, B. Grabowski, et al. Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys Acta Materialia 123 90-101 (2017) abstract
T. Wang, C. Begau, G. Sutmann, et al. Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper Surface and Coatings Technology 280 72-80 (2015) abstract
J. Zhang, C. Begau, L. Geng, et al. Atomistic investigation of wear mechanisms of a copper bi-crystal Wear 332-333 941-948 (2015) abstract
K. Chockalingam, R. Janisch, A. Hartmaier, Coupled atomistic-continuum study of the effects of C atoms at α-Fe dislocation cores Modelling and Simulation in Materials Science and Engineering 22 075007 (2014) abstract
C. Begau, A. Hartmaier, Microstructural characterization of shape memory alloys on the atomic scale TMS 2014 Supplemental Proceedings 247-256 (2014) abstract
J. Pfetzing-Micklich, C. Somsen, A. Dlouhy, et al. On the crystallographic anisotropy of nanoindentation in pseudoelastic NiTi Acta Materialia 61 602-616 (2013) abstract
A. Köster, A. Ma, A. Hartmaier, Atomistically informed continuum model for body centered cubic iron Actra Materialia 60 3894-3901 (2012) abstract
A. Köster, A. Ma, A. Hartmaier, Atomistically informed crystal plasticity model for body-centered cubic iron Acta Materialia 60 3894–3901 (2012) abstract
M. A. Lodes, A. Hartmaier, M. Göken, et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations Acta Materialia 59 4264-4273 (2011) abstract
M. Lodes, A. Hartmaier, M. Göken, et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF(2) single crystals: Experiments and molecular dynamics simulations Acta Materialia 59 4264-4273 (2011) abstract
C. Begau, A. Hartmaier, E.P. George, et al. Atomistic processes of dislocation generation and plastic deformation during nanoindentation Acta Materialia 59 934-942 (2011) abstract
D. K. Mahajan, S. Basu, On the simulation of uniaxial, compressive behavior of amorphous, glassy polymers International Journal of Applied Mechanics 2 515-541 (2010) abstract
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