Publications
Y. A. Genenko, M.-H. Zhang, I. S. Vorotiahin, et al. Multistep stochastic mechanism of polarization reversal in orthorhombic ferroelectrics Physical Review B 104 184106-184115 (2021) 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 1 1-18 (2021) abstract
M. Shahmardani Firouzjah, A. Hartmaier, Constitutive modeling of cyclic plasticity at elevated temperatures for a nickel-based superalloy International Journal of Fatigue 151 106353 (2021) abstract
S. Menon, Y. Lysogorskiy, J. Rogal, et al. Automated free-energy calculation from atomistic simulations Phys. Rev. Materials 5 103801 (2021) abstract
A. Obaied, F. Tang, I. Roslyakova, et al. ‘‘2 1/2th’’ generation Calphad databases: Extrapolating heat capacities of elements and compounds to 0K CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 75 1-12 (2021) abstract
I. Sravani Dandu, Identification of mechanical properties from incremental indentation test Master Thesis Ruhr Universität Bochum abstract
D. Gunasegaram, I. Steinbach, Modelling of microstructure formation in metal additive manufacturing: Recent progress, research gaps and perspectives Metals 11 1425 (2021) abstract
N. Volz, F. Xue, A. Bezold, et al. Design of a Co–Al–W–Ta alloy series with varying γ′ volume fraction and their thermophysical properties Metallurgical and Materials Transactions A 52 3931–3944 (2021) abstract
Oswal, Abhishek, Design and development of complex stressed polymer-metal hybrid structures Master Thesis TU Dortmund University abstract
S. Starikov, D. Smirnova, Optimized interatomic potential for atomistic simulation of Zr-Nb alloy Computational Materials Science 197 110581 (2021) abstract
T. Hammerschmidt, J. Rogal, E. Bitzek, et al. Atomic-scale modeling of superalloys Nickel Base Single Crystals Across Length Scales ELSEVIER 341-360 (2021) abstract
A. Chauniyal, G. Dehm, R. Janisch, On the role of pre-existing defects in influencing hardness in nanoscale indentations—insights from atomistic simulations Journal of Mechanics and Physics of Solids 154 104511 (2021) abstract
A. Neogi, H. Askari, N. Abdolrahim, Elastic and plastic deformation behavior of helium nano-bubbled single crystal copper: An atomistic simulation study Journal of Nuclear Materials 552 152988 (2021) abstract
N. Volz, F. Xue, C. H. Zenk, et al. Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy Acta Materialia 214 117019 (2021) abstract
A. Neogi, R. Janisch, Twin-boundary assisted crack tip plasticity and toughening in lamellar γ -TiAl Acta Materialia 213 116924 (2021) abstract
K. Abrahams, S. Zomorodpoosh, A. Riyahi khorasgani, et al. Automated assessment of a kinetic database for fcc Co-Cr-Fe-Mn-Ni high entropy alloys Modelling and Simulation in Materials Science and Engineering 29 055007 (2021) abstract
M. Ahmed, O. Horst, A. Obaied, et al. Automated image analysis for quantification of materials microstructure evolution Modelling and Simulation in Materials Science and Engineering 29 055012 (2021) abstract
J. Schmidt, Prediction of Yld2004-18p anisotropic coefficients using ML methods Master Thesis Ruhr-Universität Bochum abstract
P. Stoyanov, R. Merz, M. A. Stricker, et al. Achieving ultra-low friction with diamond/metal systems in extreme environments Materials 14 3791 (2021) abstract
A. Ferrari, Y. Lysogorskiy, R. Drautz, Design of refractory compositionally complex alloys with optimal mechanical properties Physical Review Materials 5 063606 (2021) abstract
S. Starikov, D. Smirnova, T. Pradhan, et al. Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models Physical Review Materials 5 063607 (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
Y. Lysogorskiy, C. van der Oord, A. Bochkarev, et al. Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon npj Computational Materials 7 97 (2021) 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 - - (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
S. Syubaev, E. Mitsai, S. Starikov, et al. Laser-printed hemispherical silicon Mie resonators Optics Letters 46 2304-2307 (2021) abstract
J. Kundin, H. Farhandi, K. P. Ganesan, et al. Phase-field modeling of grain growth in presence of grain boundary diffusion and segregation in ceramic matrix mini-composites Computational Materials Science 190 110295 (2021) abstract
S. Lu, J. Zhang, Z. Li, et al. Cutting path-dependent machinability of SiCp/Al composite under multi-step ultra-precision diamond cutting Chinese Journal of Aeronautics 34 241-252 (2021) abstract
P. Maffettone, L. Banko, P. Cui, et al. Crystallography companion agent for high-throughput materials discovery Nature Computational Science 1 290-297 (2021) abstract
J. Kundin, I. Steinbach, K. Abrahams, et al. Pair-exchange diffusion model for multicomponent alloys revisited Materialia 16 101047 (2021) abstract
X. Zhang, B. Mao, L. Mushongera, et al. Laser powder bed fusion of titanium aluminides: An investigation on site-specific microstructure evolution mechanism Materials and Design 201 109501 (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
F. Musil, M. Veit, A. Goscinski, et al. Efficient implementation of atom-density representations The Journal of Chemical Physics 154 114109 (2021) abstract
J. Jenke, A. N. C. Ladines, T. Hammerschmidt, et al. Tight-binding bond parameters for dimers across the periodic table from density-functional theory Physical Review Materials 5 023801 (2021) abstract
L. Zhao, J. Zhang, J. Pfetzing-Micklich, et al. Depth-sensing ductile and brittle deformation in 3C-SiC under Berkovich nanoindentation Materials & Design 197 109223 (2021) abstract
S. Iseni, M. Ramaswamy Guru Prasad, A. Hartmaier, et al. Micro-, macromechanical and aeroelastic investigation of glass-fiber based, lightweight turbomachinery components Asme Turbo Expo 2020: Power for land, sea and air 10A Structures and Dynamics (2021) abstract
L. Romaner, T. Pradhan, R. Drautz, et al. Theoretical investigation of the 70.5 mixed dislocations in body-centered cubic transition metals Acta Materialia 217 117154 (2021) abstract
H. Dumlu, A. Marquardt, E. Mahmoudinezhad Zirdehi, et al. Non-monotonic effect of additive particle size on the glass transition in polymers Materials 14 481 (2021) abstract
J. Wu, Z. Wu, L. Liu, et al. MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing Journal of Materials Chemistry C 7 2258-2275 (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
T. Kalfhaus, H. J. Schaar, F. Thaler, et al. Path to single-crystalline repair and manufacture of Ni-based superalloy using directional annealing Surface and Coatings Technology 405 126494 (2021) abstract
M. Rinaldi, M. Mrovec, M. Fähnle, et al. Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations Physical Review B 104 064413 (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
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