Publications
P. Hallensleben, H. J. Schaar, P. Thome, et al. On the evolution of cast microstructures during processing of single crystal Ni-base superalloys using a Bridgman seed technique Materials & Design 128 98–111 (2017) abstract
M. Tegeler, O. Shchyglo, R. Darvishi Kamachali, et al. Parallel multiphase field simulations with OpenPhase Computer Physics Communications 215 173 - 187 (2017) abstract
S. Tumminello, N. Del Negro, C. Carrascal, et al. Multiphase characterization of Cu-In-Sn alloys with 17 at.% Cu and comparison with calculated phase equilibria Journal of Phase Equilibria and Diffusion 38 276–287 (2017) abstract
C. Teijeiro Barjas, H. Ganesan, R. Halver, et al. Towards a flexible cell-based framework for parallel scale-bridging simulations in materials science: a first case study Proceedings of the 5th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering Paper 24 (2017) abstract
J. Kundin, A.Choudhary, Application of the anisotropic phase-field crystal model to investigate the lattice systems of different anisotropic parameters and orientations Modelling and Simulation in Materials Science and Engineering 25 055004 (2017) abstract
C. Schwarze, A. Gupta, T. Hickel, et al. Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling Physical Review B 95 174101 (2017) abstract
G. Díaz Leines, R. Drautz, J. Rogal, Atomistic insight into the non-classical nucleation mechanism during solidification in Ni The Journal of Chemical Physics 146 154702 (2017) abstract
R. Darvishi Kamachali, C. Schwarze, Inverse ripening and rearrangement of precipitates under chemomechanical coupling Computational Materials Science 130 292-296 (2017) abstract
J. Kundin, Numerical investigation of the recrystallization kinetics by means of the KWC phase-field model with special order parameters Modelling and Simulation in Materials Science and Engineering 25 045008 (2017) abstract
H. Dette, J. Gösmann, C. Greiff, et al. Efficient sampling in materials simulation - Exploring the parameter space of grain boundaries Acta Materialia 125 145-155 (2017) abstract
Y. Buranova, V. Kulitskiy, M. Peterlechner, et al. Al3(Sc,Zr)-based precipitates in Al–Mg alloy: effect of severe deformation Acta Materialia 124 210-224 (2017) abstract
J. V. Görler, I. Lopez-Galilea, L. Mujica, et al. Topological phase inversion after long-term thermal exposure of nickel-base superalloys: Experiment and phase-field simulation Acta Materialia 124 151-158 (2017) abstract
A. C. Ladines, R. Drautz, T. Hammerschmidt, Ab-initio study of C and N point defects in the C14-Fe2Nb phase Journal of alloys and compounds 693 1315-1322 (2017) abstract
I. Häusler, C. Schwarze, M. U. Bilal, et al. Precipitation of T1 and θ′ Phase in Al-4Cu-1Li-0.25Mn during age hardening: Microstructural investigation and phase-field simulation Materials 10 117 (2017) abstract
I. Steinbach, Quantum-phase-field concept of matter: Emergent gravity in the dynamic universe Z. Naturforschung A 72 51–58 (2017) abstract
Y. Lin, M. Mrovec, V. Vitek, Development of bond-order potentials for bcc transition metals Solid State Phenomena 258 3-10 (2017) abstract
P.B. Straumal, M. Wegner, D.V. Shangina, et al. Diffusion of 63Ni in the severely deformed ultrafine grained Cu-base alloys Scripta Materialia 127 141-145 (2017) abstract
B. Konkena, J. Masa, A. J. Botz, et al. Metallic NiPS3@NiOOH core−shell heterostructures as highly efficient and stable electrocatalyst for the oxygen evolution reaction ACS Catalysis 7 229–237 (2017) abstract
B. Sundman, U. R. Kattner, C. Sigli, et al. The OpenCalphad thermodynamic software interface Computational Materials Science 125 188-196 (2016) abstract
P. Schaffnit, C. Stallybrass, H. J. Schaar, et al. Phase field modeling of the phase transformation in the coarse-grained heat-affected zone of large diameter linepipes Mathematical Modelling of Weld Phenomena 11 VERLAG DER TECHNISCHEN UNIVERSITäT GRAZ, GRAZ 11 123-134 (2016) abstract
J. Wang, Structural transformations in Fe-C alloys: Atomistic modeling of grain boundaries and segregation in α iron PhD Thesis Ruhr-Universität Bochum abstract
A. K. Vatti, An ab initio study of muscovite mica and formation energy of ions in liquid water PhD Thesis Ruhr-Universität Bochum abstract
T. Chakraborty, J. Rogal, R. Drautz, Unraveling the composition dependence of the martensitic transformation temperature: A first-principles study of Ti-Ta alloys Physical Review B 94 224104 (2016) abstract
I. Roslyakova, B. Sundman, H. Dette, et al. Modeling of Gibbs energies of pure elements down to 0 K using segmented regression CALPHAD Journal 55 165-180 (2016) abstract
M. Vaidya, S. Trubel, B. S. Murty, et al. Ni tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys Journal of Alloys and Compounds 688 994-1001 (2016) abstract
H. Heyn, Molecular Dynamics Simulation of nanoindentation of cc and bcc systems: Influence of hydrogen on vacancies Master Thesis Ruhr-Universität Bochum abstract
H. u. Hassan, F. Maqbool, A. Güner, et al. Springback prediction and reduction in deep drawing under influence of unloading modulus degradation International Journal of Material Forming 9 619–633 (2016) abstract
F. Kazemi, Effect of boron additions during dendritic solidification on the microstructure and mechanical properties Master Thesis Ruhr-Universität Bochum abstract
S. Bhattacharya, G. Madsen, A novel p-type half-Heusler from high-throughput transport and defect calculations Journal of Materials Chemistry C 4 11261-11268 (2016) abstract
A. Ma, A. Hartmaier, A crystal plasticity smooth-particle hydrodynamics approach and its application to equalchannel angular pressing simulation Modelling and Simulation in Materials Science and Engineering 24 085011 (2016) abstract
A. Monas, Phase-field simulation of morphology evolution during eutectic solidification PhD Thesis Ruhr-Universität Bochum abstract
E. Borukhovich, M. Boeff, A. Monas, et al. Full-field simulation of solidification and forming of polycrystals MATEC Web of Conferences 80 02014 (2016) abstract
P.A.T. Olsson, M. Mrovec, M. Kroon, First principles characterisation of brittle transgranular fracture of titanium hydrides Acta Materialia 118 362-373 (2016) abstract
G. Du, Phase-field simulation of lath martensite in low-carbon steel PhD Thesis Ruhr-Universität Bochum abstract
R. Stern, G. Madsen, Ab initio investigation of the anomalous phonon softening in FeSi Physical Review B 94 144304 (2016) abstract
R. Scholz, R.-M. Mittendorf, J. K. Engels, et al. Direction-dependent mechanical characterization of cellulose-based composite vulcanized fiber Materials Testing 58 813-817 (2016) abstract
M. Kulosa, Modellierung der elastischen und thermischen Eigenschaften sowie des Schädigungsverhaltens poröser partikelbasierter Keramiken PhD Thesis Ruhr-Universität Bochum abstract
J. Hiebeler, K. Khlopkov, O. Shchyglo, et al. Modelling of flow behaviour and dynamic recrystallization during hot deformation of MS-W 1200 using the phase field framework MATEC Web of Conferences 80 01003 (2016) abstract
Y. Lin, M. Mrovec, V. Vitek, Importance of inclusion of the effect of s electrons into bond-order potentials for transition bcc metals with d-band mediated bonding Modelling and Simulation in Materials Science and Engineering 24 085001 (2016) abstract
X. Zhang, T. Hickel, J. Rogal, et al. Interplay between interstitial displacement and displacive lattice transformations Physical Review B 94 104109 (2016) abstract
C. Zenk, S. Neumeier, M. Kolb, et al. The role of the base element in γ-strengthened cobalt/nickel-base superalloys Superalloys 2016: Proceedings of the 13th International Symposium on Superalloys 971-980 (2016) abstract
M. U. Bilal, Growth kinetics and coherency loss from θ´ to θ in Al-Cu alloy: A phase-field study Master Thesis Ruhr-Universität Bochum abstract
R. Sivanesapillai, N. Falkner, A. Hartmaier, et al. A CSF-SPH method for simulating drainage and imbibition at pore-scale resolution while tracking interfacial areas Advances in Water Resources 1 212-234 (2016) abstract
T. Hammerschmidt, J. Koßmann, C. Zenk, et al. The role of local chemical composition for TCP phase precipitation in Ni-base and Co-base superalloys Superalloys 2016: Proceedings of the 13th International Symposium on Superalloys 89-96 (2016) abstract
N. Alemayehu, I. Steinbach, Phase field modeling of intercalation kinetics: A finite interface dissipation approach MRS Communications 6 270-282 (2016) abstract
R. Hameed, Micromechanical modeling of strength of tempered martensitic steels based on crystal plasticity PhD Thesis Ruhr-Universität Bochum abstract
J. Wang, R. Janisch, G. Madsen, et al. First-principles study of carbon segregation in bcc iron symmetrical tilt grain boundaries Acta Materialia 115 259-268 (2016) abstract
M. R. Hassani, P. S. Engels, D. Raabe, et al. Localized plastic deformation in a model metallic glass: A survey of free volume and local force distributions Journal of Statistical Mechanics: Theory and Experiment 2016 084006 (2016) abstract
E. Borukhovich, G. Du, M. Stratmann, et al. Microstructure design of tempered martensite by atomistically informed full-field simulation: From quenching to fracture Materials 9 673 (2016) abstract
V. Bhogireddy, Liquid metal induced grain boundary embrittlement: A multi-scale study PhD Thesis Ruhr-Universität Bochum abstract
O. Shchyglo, T. Hammerschmidt, M. Čák, et al. Atomistically informed extended Gibbs energy description for phase-field simulation of tempering of martensitic steel Materials 9 669 (2016) abstract
S. Bhattacharya, R. Chmielowski, G. Dennler, et al. Novel ternary sulfide thermoelectric materials from high throughput transport and defect calculations Journal of Materials Chemistry A 4 11086-11093 (2016) abstract
R. Stern, B. Dongre, G. Madsen, Extrinsic doping of the half-Heusler compounds Nanotechnology 27 334002 (2016) abstract
P. Camargos Macieira, Simulation of the microstructure evolution during hot rolling of VDM® alloy 718 Master Thesis Ruhr-Universität Bochum abstract
J. Leuthold, G. Reglitz, M. Wegner, et al. Local texture-microstructure correlation due to deformation localization in ECAP-processed nickel Materials Science and Engineering A 669 196-204 (2016) abstract
C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, et al. Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations Computer Physics Communications 204 64-73 (2016) abstract
V. Paidar, M. Čák, Three types of dislocation core structure in B2 alloys Intermetallics 73 21-25 (2016) abstract
S. Schreiber, Simulation of plastic deformation in α-FeC with analytic bond-order potentials PhD Thesis Ruhr-Universität Bochum abstract
S. Abbas, Size effect in mechanical properties of multilayered material by accumulative roll bonding Master Thesis Ruhr-Universität Bochum abstract
M. F. Schröder, Lattice dynamics in hybrid-perovskites Master Thesis Ruhr-Universität Bochum abstract
A. A. Breidi, S. G. Fries, M. Palumbo, et al. First-principles modeling of energetic and mechanical properties of Ni–Cr, Ni–Re and Cr–Re random alloys Computational Materials Science 117 45-53 (2016) abstract
M. Boeff, Micromechanical modelling of fatigue crack initiation and growth PhD Thesis Ruhr-Universität Bochum abstract
R. Sivanesapillai, Pore-scale study of non-Darcian fluid flow in porous media using smoothed-particle hydrodynamics PhD Thesis Ruhr-Universität Bochum abstract
D. Di Stefano, R. Nazarov, T. Hickel, et al. First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe Physical Review B 93 184108 (2016) abstract
A. Puchakayala Appaiah Subramanyam, A first principles study of effects of manganese on hydrogen embrittlement of a carbon segregated E5 (310)[00]) grain boundary in α iron Master Thesis Ruhr-Universität Bochum abstract
I. Binkowski, J. Horbach, S. V. Divinski, et al. Shear band relaxation in a deformed bulk metallic glass Acta Materialia 109 330-340 (2016) abstract
A. Bialon, T. Hammerschmidt, R. Drautz, Three-parameter crystal-structure prediction for sp-d‐valent compounds Chemistry of Materials 28 2550-2556 (2016) abstract
A. A. Breidi, S. G. Fries, A. V. Ruban, Ideal compressive strength of fcc Co, Ni, and Ni-rich alloys along the ⟨001⟩ direction: A first-principles study Physical Review B 93 144106 (2016) abstract
B. Reinholz, S. Brinckmann, A. Hartmaier, et al. Influence of the twin microstructure on the mechanical properties in magnetic shape memory alloys Acta Materialia 108 197-206 (2016) abstract
K. Cheng, L. Zhang, C. Schwarze, et al. Phase-field simulation of liquid phase migration in the WC–Co system during liquid phase sintering International Journal of Materials Research 107 309-314 (2016) abstract
B. L. Boyce, S. L. B. Kramer, T. R. Bosiljevac, et al. The second Sandia Fracture Challenge: Predictions of ductile failure under quasi-static and moderate-rate dynamic loading International Journal of Fracture 198 5-100 (2016) abstract
M. Dakshinamurthy, Micromechanical modeling of the effect of transformation induced plasticity on crack propagation in multiphase steels Master Thesis Ruhr-Universität Bochum abstract
Y. Buranova, H. Rösner, S. V. Divinski, et al. Quantitative measurements of grain boundary excess volume from HAADF-STEM micrographs Acta Materialia 106 367-373 (2016) abstract
S. Neumeier, H. U. Rehman, J. Neuner, et al. Diffusion of solutes in fcc cobalt investigated by diffusion couples and first principles kinetic Monte Carlo Acta Materialia 106 304-312 (2016) abstract
C. Schwarze, R. Darvishi Kamachali, I. Steinbach, Phase-field study of Zener drag and pinning of cylindrical particles in polycrystalline materials Acta Materialia 106 59-65 (2016) abstract
M. Kanani, A. Hartmaier, R. Janisch, Stacking fault based analysis of shear mechanisms at interfaces in lamellar TiAl alloys Acta Materialia 106 208-218 (2016) abstract
Y. Di, J. Lian, B. Wu, et al. The second blind Sandia Fracture Challenge: Improved MBW model predictions for different strain rates International Journal of Fracture 198 149-165 (2016) abstract
P. L. Veluvali, Influence of interstitial defects on the structural and mechanical properties of lamellar TiAl alloys Master Thesis Ruhr-Universität Bochum abstract
I. Lopez-Galilea, J. Koßmann, A. Kostka, et al. The thermal stability of topologically close-packed phases in the single-crystal Ni-base superalloy ERBO/1 Journal of Materials Science 51 2653-2664 (2016) abstract
E. Turchenko, Automated data proceeding and its application to creep experiments Master Thesis Ruhr-Universtität Bochum abstract
H. R. Hajiyani, Mechanical and electrochemical properties of mixed transition metal oxides in cathode materials PhD Thesis Ruhr-Universität Bochum abstract
A. Asaadi, Molecular dynamics simulations of nano-indentation in lamellar γ-γ' microstructures of TiAl Master Thesis Ruhr-Universität Bochum abstract
C. Teijeiro Barjas, T. Hammerschmidt, B. Seiser, et al. Complexity analysis of simulations with analytic bond-order potentials Modelling and Simulation in Materials Science and Engineering 24 025008 (2016) abstract
G. Díaz Leines, J. Rogal, Comparison of minimum-action and steepest-descent paths in gradient systems Physical Review E 93 022307 (2016) abstract
S. Surendralal, Automated calculations for charged point defects in magnesium oxide and iron oxides Master Thesis Ruhr-Universität Bochum abstract
R. Chmielowski, S. Bhattacharya, W. Xie, et al. High thermoelectric performance of tellurium doped paracostibite Journal of Materials Chemistry C 15 3094-3100 (2016) abstract
S. Sampath, R. Rementeria, X. Huang, et al. The role of silicon, vacancies, and strain in carbon distribution in low temperature bainite Journal of Alloys and Compounds 673 289-294 (2016) abstract
C. Zenk, S. Neumeier, N. M. Engl, et al. Intermediate Co/Ni-base model superalloys — Thermophysical properties, creep and oxidation Scripta Materialia 112 83-86 (2016) abstract
V. Begum, Parallelization of Wolff single-cluster algorithm in 2D Ising model with MPI Master Thesis Ruhr-Universität Bochum abstract
M. Wambach, R. Stern, S. Bhattacharya, et al. Unraveling self-doping effects in thermoelectric TiNiSn half-Heusler compounds by combined theory and high-throughput experiments Advanced Electronic Materials 2 1500208 (2016) abstract
T. Hammerschmidt, A. C. Ladines, J. Koßmann, et al. Crystal-structure analysis with moments of the density-of-states: Application to intermetallic topologically close-packed phases Crystals 6 18 (2016) abstract
X. Pang, R. Janisch, A. Hartmaier, Interplanar potential for tension-shear coupling at grain boundaries derived from ab initio calculations Modelling and Simulation in Materials Science and Engineering 24 015007 (2016) abstract
S. Papenkort, Simulation von Ermüdungsrisswachstum in polykristallinen Mikrostrukturen unter zyklischer Belastung / Simulation of fatigue crack growth in polycrystalline microstructures under cyclic loading conditions Master Thesis ICAMS, Ruhr-Universität Bochum abstract
T. Lyu, Microstructure and micromechanical modelling of AI-Cu dissimilar material connections Master Thesis Ruhr-Universität Bochum abstract
S. Gao, 3D discrete dislocation dynamics study on fundamental creep mechanisms in single crystal superalloys PhD Thesis ICAMS, Ruhr-Universität Bochum abstract
N. Nollmann, I. Binkowski, V. Schmidt, et al. Impact of micro-alloying on the plasticity of Pd-based bulk metallic glasses Scripta Materialia 111 119-122 (2016) abstract
C. Steger, Optimierung des Lagenaufbaus für ein Monocoque in Sandwichbauweise Master Thesis Ruhr-Universität Bochum abstract
V. Kulitskiy, S. Malopheyev, Y. Buranova, et al. Ultrafine-grained structure produced by FSW and ECAP in Al-Mg-Sc-Zr alloy: Comparison Materials Science Forum 838 379-384 (2016) abstract
J. Duncan, A. N. Harjunmaa, R. Terrell, et al. Collective atomic displacements during complex phase boundary migration in solid-solid phase transformations Physical Review Letters 116 035701 (2016) abstract
P. S. Engels, A multi-phase-field simulation approach incorprating finite, elasto-plastic deformations PhD Thesis ICAMS, Ruhr-Universität Bochum abstract
I. S. Golovin, V. V. Palacheva, A. I. Bazlov, et al. Diffusionless nature of D03 → L12 transition in Fe3Ga alloys Journal of Alloys and Compounds 656 897-902 (2016) abstract
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. Yan, Micromechanically guided design of graded ultra-fine-grained dual-phase steel PhD Thesis Ruhr-Universität Bochum 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
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
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
X. Zhang, Structural transformations in Fe-C alloys: From atomistic simulations to a microscopic understanding PhD Thesis Ruhr-Universität Bochum 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
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
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
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
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
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
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
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
M. Kanani, Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys PhD 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
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
B. Dongre, The effect of a vacancy on the thermal conductivity of Stillinger-Weber silicon 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
M. M. Golam, Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates Master Thesis Ruhr-Universität Bochum 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
H. Shabbir, Multi scale simulations: Interaction between γ' precipitate and interfacial dislocation in nickel base superalloys Master Thesis Ruhr-Universität Bochum 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
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
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
A. Monas, O. Shchyglo, S. Kim, et al. Divorced eutectic solidification of Mg-Al alloys JOM 67 1805-1811 (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. K. Kothapalli, RVE based characterization and homogenization of elasto plastic properties for woven thermoplastic composite materials 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
A. B. Subhedar, I. Steinbach, F. Varnik, Modeling the flow in diffuse interface methods of solidification Physical Review E 92 023303 (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
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
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. V. Divinski, Grain boundary diffusion in severe plastically deformed metals: State of the art and unresolved issues Diffusion Foundations 5 57-73 (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
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
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. Katre, Modelling thermal transport in nanostructured materials PhD Thesis Ruhr-Universität Bochum 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
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. Kim, I. Steinbach, Texture evolution in deformed AZ31 magnesium sheets: Experiments and phase-field study Computational Materials Science 104 193-199 (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
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
A. Kauws, Investigation of mechanical properties of martensite packets using inverse analysis Master Thesis Ruhr-Universität Bochum abstract
N. Rivas, Sulfidation resistance of Ni-Cr alloys exposed to simulated coal power plant atmospheres Master Thesis Ruhr-Universität Bochum 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
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
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
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
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
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
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. Wang, Large-scale molecular dynamics simulation of growth, microstructure and properties of thermal-sprayed coatings PhD Thesis Ruhr-Universität Bochum abstract
A. 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. C. Ladines, T. Hammerschmidt, R. Drautz, Structural stability of Fe-based topologically close-packed phases Intermetallics 59 59-67 (2015) abstract
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J. Neugebauer, T. Hickel, Density functional theory in materials science WIREs Computational Molecular Science 3 438-448 (2013) abstract
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A. Bialon, The iron-boron system : ordered structures and point defects PhD Thesis Ruhr-Universität Bochum abstract
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D. Medvedev, F. Varnik, I. Steinbach, Simulating mobile dendrites in a flow Procedia Computer Science 18 2512-2520 (2013) abstract
M. Čák, T. Hammerschmidt, R. Drautz, Comparison of analytic and numerical bond-order potentials for W and Mo Journal of Physics: Condensed Matter 25 265002 (2013) abstract
U. Preiss, G. Steinfeld, H. Scherer, et al. Fluorinated weakly coordinating anions [M(hfip)6]– (M = Nb, Ta): syntheses, structural characterizations and computations ZAAC - Journal of Inorganic and General Chemistry 19 714-721 (2013) abstract
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A. Bialon, T. Hammerschmidt, R. Drautz, Ab initio study of boron in α-iron: migration barriers and interaction with point defects Physical Review B 87 104109 (2013) abstract
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S. Bandaru, Oblique angle deposition of TiO2 thin films doped with Nb, W, Fe for solar water splitting Master Thesis Ruhr-Universität Bochum, Germany abstract
M. Gross, F. Varnik, Interfacial roughening in non-ideal fluids: dynamic scaling in the weak- and strong-damping regime Physical Review E 87 022407 (2013) abstract
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V. S. Ganisetti, Multiscale modelling of the effect of oxygen on structure and cohesion of a symetric tilt grain boundary in molybdenum Master Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
S. S. Ahmed, On multiscale aspects of fluid saturated porous media Master Thesis Mechanical Engineering, Ruhr-University Bochum, Germany; Mechanics, Statistics, Dynamics, TU Dortmund, Germany abstract
J. Gehrmann, Transferable reduced TB models for elemental Si and N and binary Si-N systems PhD Thesis University of Oxford abstract
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A. Köster, Plastic deformation and phase transformation: constitutive description of transformation induced plasticity steels PhD Thesis Ruhr-University Bochum abstract
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M. Ford, Atomistic modelling of iron with magnetic analytic bond-order potentials PhD Thesis University of Oxford abstract
C. Schwarze, Grain boundary motion of carbon nanotube reinforced aluminium Master Thesis Mechanical Engineering, Ruhr-University Bochum, Germany abstract
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I. Opahle, G. Madsen, R. Drautz, High throughput density functional investigations of the stability, electronic structure and thermoelectric properties of binary silicides Physical Chemistry Chemical Physics 14 16197–16202 (2012) abstract
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B. Schmaling, Determination of plastic material properties on different length scales by indentation techniques and inverse analyses PhD Thesis Ruhr University of Bochum abstract
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D. Korbmacher, Dual scale modeling of hydrogen embrittlement Master Thesis Ruhr-Universität Bochum, Faculty of Physics and Astronomy abstract
A. Ma, A. Hartmaier, Scale bridging modeling of plastic deformation and damage initiation in polycrystals Polycrystalline materials - theoretical and practical aspects INTECH, RIJEKA, CROATIA 3-26 (2012) abstract
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B. Seiser, T. Hammerschmidt, R. Drautz, et al. TCP phase stability in Ni-based superalloys Proceedings of NATO STO MP AVT 187 'Design, Modelling, Lifing and Validation of Advanced Materials in Extreme Military Environments.' (2012) abstract
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R. Hameed, Fitting of plasticity parameters based on indentatiotion results Master Thesis Ruhr Universität Bochum abstract
R. Drautz, D. G. Pettifor, Valence-dependent analytic bond-order potential for magnetic transition metals Physical Review B 84 214114 (2011) abstract
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N. Moradi, F. Varnik, I. Steinbach, Contact angle dependence of the velocity of sliding cylindrical drop on flat substrates Europhysics Letters 95 44003 (2011) abstract
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T. Krüger, F. Varnik, D. Raabe, Particle stress in suspensions of soft objects Philosophical Transactions of The Royal Society A 13 2414-2421 (2011) abstract
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P. Kucharczyk, M. Sharaf, S. Münstermann, Influence of microstructure on fatigue crack growth in structural steel 26. Aachener Stahlkolloquium 2011 (2011) abstract
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W. Song, U. Prahl, W. Bleck, Atomic scale observation on second phase precipitation in bainite reaction in high carbon steel 100Cr6 26. Aachener Stahlkolloquium 2011 29-35 (2011) abstract
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T. Hickel, M. Uijttewaal, B. Grabowski, et al. Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys Journal of Physics: Condensed Matter 20 064219 (2008) abstract
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J. Imlau, W. Bleck, S. Zaefferer, Crack development in dependence of the local microstructure in Al-Trip steels New developments on metallurgy and applications of high strength steels (2008) abstract
I. Steinbach, Microstructure evolution and phase transitions in metals simulated by the multi-phase-field method La Revue de Métallurgie 105 637-640 (2008) abstract
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S.P. Brookes, H.J. Kühn, B. Skotzki, et al. Axial-torsional thermo-mechanical fatigue of Ti-45Al-5Nb-0.2B-0.2C Proceedings of the Structural Aluminides for Elevated Temperatures Symposium 103-109 (2008) abstract
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