Publications
J. V. Görler, S. Brinckmann, O. Shchyglo, et al. Gamma-channel stabilization mechanism in Ni-base superalloys Philosophical Magazine Letters 95 519-525 (2015) abstract
L. Poggenpohl, Entwicklung eines mechanischen Ersatzmodells zur Beschreibung gesinterter Keramiken Master Thesis Ruhr-Universität Bochum abstract
D. Novokshanov, B. Döbereiner, M. Sharaf, et al. A new model for upper shelf impact toughness assessment with a computationally efficient parameter identification algorithm Engineering Fracture Mechanics 148 281-303 (2015) abstract
C. P. Race, R. Hadian, J. von Pezold, et al. Mechanisms and kinetics of the migration of grain boundaries containing extended defects Physical Review B 92 174115 (2015) abstract
D. Yan, Micromechanically guided design of graded ultra-fine-grained dual-phase steel PhD Thesis Ruhr-Universität Bochum abstract
X. Zhang, Structural transformations in Fe-C alloys: From atomistic simulations to a microscopic understanding PhD Thesis Ruhr-Universität Bochum abstract
D. C. Ma, B. Grabowski, F. Körmann, et al. Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one Acta Materialia 100 90-97 (2015) abstract
E. Borukhovich, Consistent coupling of geometrically non-linear finite deformation with alloy chemistry and diffusion within the phase-field framework PhD Thesis Ruhr-Universität Bochum abstract
A. Monas, P. Bloembergen, W. Dong, et al. Simulations of the eutectic transformations in the platinum–carbon system International Journal of Thermophysics 36 3366-3383 (2015) abstract
S. Kenmoe, Ab initio study of the low-index non-polar zinc oxide surfaces in contact with water: From single molecules to multilayers PhD Thesis Ruhr-Universität Bochum abstract
M. Kanani, Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys PhD Thesis Ruhr-Universität Bochum abstract
E. Borukhovich, P. S. Engels, J. Mosler, et al. Large deformation framework for phase-field simulations at the mesoscale Computational Materials Science 108 367-373 (2015) abstract
K. Bhogireddy, C. Hüter, J. Neugebauer, et al. From wetting to melting along grain boundaries using phase field and sharp interface methods Computational Materials Science 108 293-300 (2015) abstract
D. Ma, M. Friák, J. von Pezold, et al. Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stress Acta Materialia 98 367-376 (2015) abstract
B. Dongre, The effect of a vacancy on the thermal conductivity of Stillinger-Weber silicon Master Thesis Ruhr-Universität Bochum abstract
M. Naderi, M. Peterlechner, E. Schafler, et al. Kinetic, volumetric and structural effects induced by liquid Ga penetration into ultrafine grained Al Acta Materialia 99 196-205 (2015) abstract
M. Boeff, F. Gutknecht, P. S. Engels, et al. Formulation of nonlocal damage models based on spectral methods for application to complex microstructures Engineering Fracture Mechanics 147 373-387 (2015) abstract
A. A. Gießmann, The influence of stress enhanced diffusion on the growth of pearlite in eutectoid plain carbon steel PhD Thesis Ruhr-Universität Bochum abstract
W. S. Ko, B. Grabowski, J. Neugebauer, Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition Physical Review B 92 134107 (2015) 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
P. Vasconcelos, A. A. Gießmann, J. Dias-de-Oliveira, et al. Heat treatment analysis of multiphase steels through the use of a coupled phase field and finite element model methodology Computational Materials Science 107 139-150 (2015) abstract
R. Drautz, T. Hammerschmidt, M. Čák, et al. Bond-order potentials: Derivation and parameterization for refractory elements Modelling and Simulation in Materials Science and Engineering 23 074004 (2015) abstract
M. M. Golam, Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates Master Thesis Ruhr-Universität Bochum abstract
S. Gao, M. K. Rajendran, M. Fivel, et al. Primary combination of phase-field and discrete dislocation dynamics methods for investigating athermal plastic deformation in various realistic Ni-base single crystal superalloy microstructures Modelling and Simulation in Materials Science and Engineering 23 075003 (2015) abstract
J. Koßmann, T. Hammerschmidt, S. Maisel, et al. Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L12-Co3Al Intermetallics 64 44-50 (2015) abstract
L.-F. Huang, B. Grabowski, E. McEniry, et al. Importance of coordination number and bond length in titanium revealed by electronic structure investigations Physica Status Solidi B 252 1907-1924 (2015) abstract
H. Shabbir, Multi scale simulations: Interaction between γ' precipitate and interfacial dislocation in nickel base superalloys Master Thesis Ruhr-Universität Bochum abstract
Nima H. Siboni, D. Raabe, F. Varnik, Aging in amorphous solids: A study of the first-passage time and persistence time distribution Europhysics Letters 111 48004 (2015) abstract
S. Bhattacharya, G. Madsen, High-throughput exploration of alloying as design strategy for thermoelectrics Physical Review B 92 085205 (2015) abstract
N. Winkler, M. Peterlechner, G. Wilde, Controlling crystallization, phase transformation and magnetic properties of amorphous FeNiP by annealing in nano-confinement Journal of Materials Chemistry C 3 7543-7551 (2015) abstract
M. Q. Jiang, G. Wilde, F. Jiang, et al. Understanding ductile-to-brittle transition of metallic glasses from shear-transformation-zone dilatation Theoretical and Applied Mechanics Letters 5 200-204 (2015) abstract
B. Wu, Y. Yan, S. Münstermann, Modelling of chip breakage in machining process with damage mechanics model Applied Mechanics and Materials 784 411-418 (2015) abstract
C. Park, DFT+U calulations of delithiation at Σ2 tilt grain boundary in Li[Co1/3Ni1/3Mn1/3]O2 cathode material for Lithium-ion battery Master Thesis Ruhr-Universität Bochum abstract
A. Monas, O. Shchyglo, S. J. Kim, et al. Divorced eutectic solidification of Mg-Al alloys JOM 67 1805-1811 (2015) abstract
I. Steinbach, F. Varnik, Modeling the flow in diffuse interface methods of solidification Physical Review E 92 023303 (2015) abstract
A. K. R. Kothapalli, RVE based characterization and homogenization of elasto plastic properties for woven thermoplastic composite materials Master Thesis Ruhr-Universität Bochum abstract
D. Weygand, M. Mrovec, T. Hochrainer, et al. Multiscale simulation of plasticity in bcc metals Annual Review of Materials Research 45 369-390 (2015) abstract
S. V. Divinski, Grain boundary diffusion in severe plastically deformed metals: State of the art and unresolved issues Diffusion Foundations 5 57-73 (2015) abstract
V. Schmidt, H. Rösner, M. Peterlechner, et al. Quantitative measurement of density in a shear band of metallic glass monitored along its propagation direction Physical Review Letters 115 035501 (2015) abstract
A. Monas, O. Shchyglo, D. Höche, et al. Dual-scale phase-field simulation of Mg-Al alloy solidification IOP Conference Series: Materials Science and Engineering 84 012069 (2015) abstract
S. Ramesh Babu, Additive manufacturing of nickel-base superalloys: A phase-field study Master Thesis Ruhr-Universität Bochum abstract
E. R. Pinatel, M. Palumbo, F. Massimino, et al. Hydrogen sorption in the LaNi5-xAlx-H system (0 ≤ x ≤ 1) Intermetallics 62 7-16 (2015) abstract
M. Heyn, Evolution of the grain boundary microstructure on tempering of a 2.25Cr1Mo steel Master Thesis Ruhr-Universität Bochum abstract
R. Darvishi Kamachali, S. J. Kim, I. Steinbach, Texture evolution in deformed AZ31 magnesium sheets: Experiments and phase-field study Computational Materials Science 104 193-199 (2015) abstract
A. Gupta, Precipitation kinetics in binary alloys Master Thesis Ruhr-Universität Bochum abstract
J. Koßmann, C. H. Zenk, I. Lopez-Galilea, et al. Microsegregation and precipitates of an as-cast Co-based superalloy - microstructural characterization and phase stability modelling Journal of Materials Science 50 6329-6338 (2015) abstract
N. Rivas, Sulfidation resistance of Ni-Cr alloys exposed to simulated coal power plant atmospheres Master Thesis Ruhr-Universität Bochum abstract
A. Kauws, Investigation of mechanical properties of martensite packets using inverse analysis Master Thesis Ruhr-Universität Bochum abstract
D. Liu, M. Peterlechner, J. Fiebig, et al. Grain boundary diffusion and precipitates in B2 Ti−50.2 at.% Ni alloy Intermetallics 61 30-37 (2015) abstract
M. Shepelenko, L. Klinger, E. Rabkin, et al. Recovery, recrystallization and diffusion in cold-rolled Ni International Journal of Materials Research 106 554-564 (2015) abstract
A. Katre, Modelling thermal transport in nanostructured materials PhD Thesis Ruhr-Universität Bochum abstract
R. Darvishi Kamachali, A. Abbondandolo, K. F. Sieburg, et al. Geometrical grounds of mean field solutions for normal grain growth Acta Materialia 90 252-258 (2015) abstract
J. Buenz, K. A. Padmanabhan, G. Wilde, On the applicability of a mesoscopic interface sliding controlled model for understanding superplastic flow in bulk metallic glasses Intermetallics 60 50-57 (2015) abstract
A. Glensk, B. Grabowski, T. Hickel, et al. Understanding anharmonicity in the fcc materials: From its origin to ab initio strategies beyond the quasiharmonic approximation Physical Review Letters 114 195901 (2015) abstract
D. Prokoshkina, L. Klinger, A. Moros, et al. Persistence of ultrafast atomic diffusion paths in recrystallizing ultrafine grained Ni Scripta Materialia 101 91-94 (2015) abstract
J. Frenzel, A. Wieczorek, I. Opahle, et al. On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys Acta Materialia 90 213-231 (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
T. Wang, Large-scale molecular dynamics simulation of growth, microstructure and properties of thermal-sprayed coatings PhD Thesis Ruhr-Universität Bochum abstract
B. Dutta, T. Hickel, J. Neugebauer, et al. Interplay of strain and interdiffusion in Heusler alloy bilayers Physica Status Solidi RRL 9 321-325 (2015) abstract
T. Chakraborty, A. Hens, S. Kulashrestha, et al. Calculation of diffusion coefficient of long chain molecules using molecular dynamics Physica E 69 371-377 (2015) abstract
B. Grabowski, A. Glensk, T. Hickel, et al. Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au Physical Review B 91 201103 (2015) abstract
Y.P. Mitrofanov, M. Peterlechner, I. Binkowski, et al. The impact of elastic and plastic strain on relaxation and crystallization of Pd–Ni–P-based bulk metallic glasses Acta Materialia 90 318-329 (2015) abstract
A. N. C. Ladines, Influence of light elements on precipitates of complex phases in steel PhD Thesis Ruhr-Universität Bochum abstract
S. Gupta, A. Ma, A. Hartmaier, Investigating the influence of crystal orientation on bending size effect of single crystal beams Computational Materials Science 101 201-210 (2015) abstract
A. Lange, Ti-Ta based high-temperature shape memory alloy thin films Master Thesis Ruhr-Universität Bochum abstract
A. N. C. Ladines, T. Hammerschmidt, R. Drautz, Structural stability of Fe-based topologically close-packed phases Intermetallics 59 59-67 (2015) abstract
C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, et al. Parallel bond order potentials for materials science simulations Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (2015) abstract
L. Sharma, Implementation and comparison of different damage criteria in the framework of crystal plasticity Master Thesis Ruhr-Universität Bochum abstract
W. Kochański, M. Boeff, Z. Hashemiyan, et al. Modelling and numerical simulations of in-air reverberation images for fault detection in medical ultrasonic transducers: A feasibility study Journal of Sensors 2015 796439 (2015) abstract
T. Chakraborty, J. Rogal, R. Drautz, Martensitic transformation between competing phases in Ti-Ta alloys: A solid-state nudged elastic band study Journal of Physics: Condensed Matter 27 115401 (2015) abstract
M. Tegeler, A. Monas, G. Sutmann, Massively parallel multiphase field simulations Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (2015) abstract
C. Simon, M. Peterlechner, G. Wilde, Experimental determination of the nucleation rates of undercooled micron-sized liquid droplets based on fast chip calorimetry Thermochimica Acta 603 39-45 (2015) abstract
S. Gao, M. Fivel, A. Ma, et al. Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study Journal of the Mechanics and Physics of Solids 76 276-290 (2015) abstract
S. Bhattacharya, N. S. H. Gunda, R. Stern, et al. Achieving optimum carrier concentrations in p-doped SnS thermoelectrics Physical Chemistry Chemical Physics 17 9161-9166 (2015) abstract
R. Chmielowski, D. Pere, C. Bera, et al. Theoretical and experimental investigations of the thermoelectric properties of Bi2S3 Journal of Applied Physics 117 125103 (2015) abstract
A. Wengert, Initial stages of internal oxidation of iron base alloys in the temperature range of 600°C to 850°C Master Thesis Ruhr-Universität Bochum abstract
M. Q. Jiang, G. Wilde, L. H. Dai, Origin of stress overshoot in amorphous solids Mechanics of Materials 81 72-83 (2015) abstract
D. Belardinelli, M. Sbragaglia, L. Biferale, et al. Fluctuating multicomponent lattice Boltzmann model Physical Review E 91 023313 (2015) abstract
M. Ford, D. G. Pettifor, R. Drautz, Non-collinear magnetism with analytic bond-order potentials Journal of Physics: Condensed Matter 27 086002 (2015) abstract
P. Nörtershäuser, J. Frenzel, A. Ludwig, et al. The effect of cast microstructure and crystallography on rafting, dislocation plasticity and creep anisotropy of single crystal Ni-base superalloys Materials Science and Engineering A 626 305-312 (2015) abstract
S. G. Ayodele, D. Raabe, F. Varnik, Shear-flow-controlled mode selection in a nonlinear autocatalytic medium Physical Review E 91 022913 (2015) abstract
L. Zhang, M. Stratmann, Y. Du, et al. Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation Acta Materialia 88 156-169 (2015) abstract
M. Gross, T. Krüger, F. Varnik, Fluctuations and diffusion in sheared athermal suspensions of deformable particles Europhysics Letters 108 68006 (2015) abstract
J. Gehrmann, D. G. Pettifor, A. Kolmogorov, et al. Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems Physical Review B 91 054109 (2015) abstract
U. Kaya, Development of simulation methods for characterization and modeling of tribological properties of thin metal sheets Master Thesis Ruhr-Universität Bochum abstract
L. Morales-Rivas, V. Yardley, C. Capdevila, et al. A procedure for indirect and automatic measurement of prior austenite grain size in bainite/martensite microstructures Journal of Materials Science 50 258-267 (2015) abstract
X. Zhang, T. Hickel, J. Rogal, et al. Structural transformations among austenite, ferrite and cementite in Fe-C alloys: A unified theory based on ab initio simulations Acta Materialia 99 281-289 (2015) abstract
B. Sundman, M. Stratmann, L. Zhang, et al. Computational thermodynamics and its applications in materials science Materials China 34 15-29 (2015) abstract
O. Güvenc, F. Roters, T. Hickel, et al. ICME for crashworthiness of TWIP steels: From ab initio to the crash performance JOM 67 120-128 (2015) abstract
S. Gupta, Micromechanical modeling of martensitic phase transformation in steels based on nonlocal crystal plasticity PhD Thesis Ruhr-Unverstität Bochum abstract
A. Ma, A. Hartmaier, A study of deformation and phase transformation coupling for TRIP-assisted steels International Journal of Plasticity 64 40-55 (2015) abstract
A. Katre, A. Togo, I. Tanaka, et al. First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides Journal of Applied Physics 117 045102 (2015) abstract
S. V. Divinski, G. Reglitz, I. S. Golovin, et al. Effect of heat treatment on diffusion, internal friction, microstructure and mechanical properties of ultra-fine-grained nickel severely deformed by equal-channel angular pressing Acta Materialia 82 11-21 (2015) abstract
B. Sundman, U. R. Kattner, M. Palumbo, et al. OpenCalphad - a free thermodynamic software Integrating Materials and Manufacturing Innovation 4 1 (2015) abstract
P. Wollgramm, H. Buck, K. Neuking, et al. On the role of Re in the stress and temperature dependence of creep of Ni-base single crystal superalloys Materials Science and Engineering A 628 382-395 (2015) abstract
G. Reglitz, B. Oberdorfer, N. Fleischmann, et al. Combined volumetric, energetic and microstructural defect analysis of ECAP-processed nickel Acta Materialia 103 396-406 (2015) abstract
U. V. Unije, Simulation of transport processes through asymmetric gas separation membrane Master Thesis Ruhr-Universität Bochum abstract
P. Schwittek, Micromechanical and continuum modeling of hydrogen assisted steel degradation PhD Thesis Ruhr-Universität Bochum abstract
C. Begau, G. Sutmann, Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations Computer Physics Communications 190 51-61 (2015) abstract
A. Hariri, Phase transitions in high manganese steels: Simulation and experiment Master Thesis Ruhr-Universität Bochum abstract
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