Publications
D. Gaertner, K. Abrahams, J. Kottke, et al. Concentration-dependent atomic mobilities in FCC CoCrFeMnNi high-entropy alloys Acta Materialia 166 357-370 (2019) abstract
P. Wang, J. Koßmann, U. R. Kattner, et al. Thermodynamic assessment of the Co-Ta system Calphad 64 205-212 (2019) abstract
J. Kundin, A. Ramazani, U. Prahl, et al. Phase-field modeling of microstructure evolution of binary and multicomponent alloys during selective laser melting (SLM) TMS 2019 148th Annual Meeting & Exhibition Supplemental Proceedings - - (2019) abstract
T. Hammerschmidt, B. Seiser, M. Ford, et al. BOPfox program for tight-binding and analytic bond-order potential calculations Computer Physics Communications 235 221-233 (2019) abstract
Afshar, Mehran, Mao, Fengxin, Jiang, Haichun, et al. Modelling of differential scanning calorimetry heating curves for precipitation and dissolution in an Al-Mg-Si alloy Computational Materials Science 158 235-242 (2019) abstract
X.W.Liu, G. Laplanche, A. Kostka, et al. Columnar to equiaxed transition and grain refinement of cast CrCoNi medium-entropy alloy by microalloying with titanium and carbon Journal of Alloys and Compounds 775 1068-1076 (2019) abstract
J. Kottke, M. Laurent-Brocq, A. Fareed, et al. Tracer diffusion in the Ni-CoCrFeMn system: transition from a dilute solid solution to a high entropy alloy Scripta Materialia 159 94-98 (2019) abstract
A. Müller, I. Roslyakova, M. Sprenger, et al. MultOpt++: a fast regression-based model for the development of compositions with high robustness against scatter of element concentrations Modelling and Simulation in Materials Science and Engineering 27 1-18 (2019) abstract
H. Ganesan, C. Teijeiro Barjas, G. Sutmann, Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres Computational Materials Science 155 439-449 (2018) abstract
A. G. Kiiamov, Y. Lysogorskiy, F. G. Vagizov, et al. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2 Physical Review B 98 214411 (2018) abstract
S. Gupta, A. Ma, A. Hartmaier, Mechanical twinning induced alteration in the kinetics of martensitic phase transformation in TRIP-maraging steels International Journal of Solids and Structures 155 213-224 (2018) abstract
X. Zhang, B. Grabowski, F. Körmann, et al. Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni Physical Review B 98 224106 (2018) abstract
M. Vaidya, G. M. Muralikrishna, S. V. Divinski, et al. Experimental assessment of the thermodynamic factor for diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys Scripta Materialia 157 81-85 (2018) abstract
R. Darvishi Kamachali, C. Schwarze, M. Lin, et al. Numerical benchmark of phase-field simulations with elastic strains: Precipitation in the presence of chemo-mechanical coupling Computational Materials Science 155 541-553 (2018) abstract
S. Katnagallu, B. Gault, B. Grabowski, et al. Advanced data mining in field ion microscopy Materials Characterization 146 307-318 (2018) abstract
W. Amin, J. A. Qayyum, K. Altaf, et al. Metal Injection Molding Process Parameters as A Function of Filling Performance of 3D Printed Polymer Mold MATEC Web of Conferences 225 6 (2018) abstract
A. Obaied, Application of machine learning for thermo-physical properties of transition metals Master Thesis Ruhr-Universität Bochum abstract
K. Gillner, S. Becker, K. Lang, et al. A method to numerically predict the loading ratio dependency of long crack propagation rates under cyclic loading International Journal of Fatigue 116 234-244 (2018) abstract
N. J. Dupin, U. R. Kattner, B. Sundman, et al. Implementation of an effective bond energy formalism in the multicomponent Calphad approach Journal of Research of National Institute of Standards and Technology 123 123020 (2018) abstract
J. Möller, E. Bitzek, R. Janisch, et al. Fracture ab initio: A force-based scaling law for atomistically informed continuum models Journal of Materials Research 33 3750 - 3761 (2018) abstract
M. R. Hassani, E. Mahmoudinezhad Zirdehi, K. Krok, et al. Long-range strain correlations in 3D quiescent glass forming liquids Europhysics Letters 124 18003 (2018) abstract
D. Gaertner, J. Kottke, G. Wilde, et al. Tracer diffusion in single crystalline CoCrFeNi and CoCrFeMnNi high entropy alloys 10.1557/jmr.2018.162 33 3184-3191 (2018) abstract
J. Jenke, A. P. A. Subramanyam, M. Densow, et al. Electronic structure based descriptor for characterizing local atomic environments Physical Review B 98 144102 (2018) abstract
T. Li, D. Kent, G. Sha, et al. Nucleation driving force for ω-assisted formation of α and associated ω morphology in β-Ti alloys Scripta Materialia 155 149–154 (2018) abstract
G. Díaz Leines, J. Rogal, Maximum likelihood analysis of reaction coordinates during solidification in Ni J. Phys. Chem. B 122 10934-10942 (2018) abstract
J. V. Görler, Phase-field simulation of microstructure evolution coupled to plastic deformation: Application to Ni-base superalloys and low carbon steel PhD Thesis Ruhr-Universität Bochum abstract
J. Lian, F. Shen, X. Jia, et al. An evolving non-associated Hill48 plasticity model accounting for anisotropic hardening and r-value evolution and its application to forming limit prediction International Journal of Solids and Structures 151 20-44 (2018) abstract
H. u. Hassan, K. Govind, A. Hartmaier, Micromechanical modelling of coupled crystal plasticity and hydrogen diffusion Philosophical Magazine 99 92-115 (2018) abstract
C. Gu, Y. Bao, P. Gan, et al. An experimental study on the impact of deoxidation methods on the fatigue properties of bearing steels Steel Research International 89 1800129 (1-8) (2018) abstract
J. Yuxun, S. Zomorodpoosh, I. Roslyakova, et al. Thermodynamic re-assessment of binary Cr-Nb system down to 0 K CALPHAD 62 109-118 (2018) abstract
J. K. Engels, S. Gao, W. Amin, et al. Indentation size effects in spherical nanoindentation analyzed by experiment and non-local crystal plasticity Materialia 3 21-30 (2018) abstract
J. Möller, M. Mrovec, I. Bleskov, et al. {110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials Physical Review Materials 2 093606 (2018) abstract
M. Markl, A. Müller, N. Ritter, et al. Development of single-crystal Ni-base superalloys based on multi-criteria numerical optimization and efficient use of refractory elements Metallurgical and Materials Transactions A 49 4134-4145 (2018) abstract
C. Bonnekoh, U. Jäntsch, J. Hoffmann, et al. The brittle-to-ductile transition in cold rolled tungsten plates: Impact of crystallographic texture, grain size and dislocation density on the transition temperature International Journal of Refractory Metals & Hard Materials 78 146-163 (2018) abstract
I. Stockem, A. Bergman, A. Glensk, et al. Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: A combined spin and ab initio molecular dynamics study Physical Review Letters 121 125902 (2018) abstract
N. Volz, C. H. Zenk, R. Cherukuri, et al. Thermophysical and mechanical properties of advanced single crystalline Co-base superalloys Metallurgical and Materials Transactions A 49 4099–4109 (2018) abstract
B. Ruttert, O. Horst, I. Lopez-Galilea, et al. Rejuvenation of single-crystal Ni-base superalloy turbine blades: Unlimited service life? Metallurgical and Materials Transactions A 49 4262–4273 (2018) abstract
Z. Wang, J. Zhang, H. u. Hassan, et al. Coupled effect of crystallographic orientation and indenter geometry on nanoindentation of single crystalline copper International Journal of Mechanical Sciences 148 531–539 (2018) abstract
S. Starikov, Korneva, Maria, Description of phase transitions through accumulation of point defects: UN, UO2 and UC Journal of Nuclear Materials 510 373-381 (2018) abstract
Y. Ikeda, F. Körmann, I. Tanaka, et al. Impact of chemical fluctuations on Stacking-Fault energies of CrCoNi and CrMnFeCoNi high-entropy alloys from first principles Entropy 20 655 (2018) abstract
D. Smirnova, S. Starikov, A. Vlasova, New interatomic potential for simulation of pure magnesium and magnesium hydrides Computational Materials Science 154 295-302 (2018) abstract
A. Ferrari, A. Paulsen, J. Frenzel, et al. Unusual composition dependence of transformation temperatures in Ti-Ta-X shape memory alloys Physical Review Materials 2 073609 (2018) abstract
J. Kundin, R. Schiedung, H. Sohaib, et al. Phase-field modeling of pores and precipitates in polycrystalline systems Modelling Simul. Mater. Sci. Eng. 26 065003 (2018) abstract
A. Gupta, V. Kulitcki, B. Kavakbasi, et al. Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys Physical Review Materials 2 073801 (2018) abstract
Z. Xu, Z. He, Y. Song, et al. Topic Review: Application of Raman spectroscopy characterization in micro/nano-machining Micromechanics 2018 361 (2018) abstract
H. Sohaib, The study of the effect of porosity on the grain growth in polycrystalline ceramic fibers Master Thesis Ruhr-Universität Bochum abstract
A. Gupta, V. Kulitcki, B. Tas Kavakbasi, et al. Non-monotonic effect of precipitation on grain boundary diffusion in Al-based alloys Physical Review Materials 2 073801 (2018) abstract
G. C. Diyoke, Effect of gravity on dendritic solidification kinetics of binary Al-Mg alloy Master Thesis Ruhr-Universität Bochum abstract
S. V. Divinski, A. Pokoev, N. Esakkiraja, et al. A mystery of "sluggish diffusion" in high-entropy alloys: The truth or a myth? Diffusion Foundations 17 69-104 (2018) abstract
K. Gillner, M. Henrich, S. Münstermann, Numerical study of inclusion parameters and their influence on fatigue lifetime International Journal of Fatigue 111 70-80 (2018) abstract
Y. Gong, B. Grabowski, A. Glensk, et al. Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni Physical Review B 97 214106 (2018) abstract
X. Zhang, B. Grabowski, T. Hickel, et al. Calculating free energies of point defects from ab initio Computational Materials Science 148 249-259 (2018) abstract
G. Eggeler, P. Wollgramm, K. Neuking, et al. On shear testing of single crystal Ni-base superalloys Metallurgical and Materials Transactions A 49 3951-3962 (2018) abstract
C. Hüter, P. Shanthraj, E. J. McEniry, et al. Multiscale modelling of hydrogen transport and segregation in polycrystalline steels Metals 8 430 (2018) abstract
B. Weise, B. Dutta, N. Teichert, et al. Role of disorder when upscaling magnetocaloric Ni-Co-Mn-Al Heusler alloys from thin films to ribbons Scientific Reports 8 9147 (2018) abstract
R. Stern, T. Wang, J. Carrete, et al. Influence of point defects on the thermal conductivity in FeSi Physical Review B 97 195201 (2018) abstract
M. Radek, J.-G. Tenberge, S. Hilke, et al. STEMcl–A multi-GPU multislice algorithm for simulation of large structure and imaging parameter series Ultramicroscopy 188 24-30 (2018) abstract
M. A. Ali, High temperature creep in Ni-based superalloys Master Thesis Ruhr-Universität Bochum abstract
S. Gao, P. Wollgramm, G. Eggeler, et al. A phenomenological creep model for nickelbase single crystal superalloys at intermediate temperatures Modelling and Simulation in Materials Science and Engineering 26 055001 (18pp) (2018) abstract
M. Gross, F. Varnik, Shear-density coupling for a compressible single-component yield-stress fluid Soft Matter 14 4577-4590 (2018) abstract
A. Waske, B. Dutta, N. Teichert, et al. Coupling Phenomena in Magnetocaloric Materials, Energy Technology Energy Technology 6 1429-1447 (2018) abstract
S. Makarov, L. Kolotova, S. Starikov, et al. Resonant silicon nanoparticles with controllable crystalline states and nonlinear optical responses Nanoscale 10 11403–11409 (2018) abstract
A. Katre, J. Carrete, T. Wang, et al. Phonon transport unveils the prevalent point defects in GaN Physical Review Materials 2 050602 (2018) abstract
S. Kirsch, F. Welsch, N. Michaelis, et al. NiTi-based elastocaloric cooling on the macroscale: From basic concepts to realization Energy Technology 6 1567-1587 (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
C. Schwarze, R. Darvishi Kamachali, C. Mießen, et al. Computationally efficient phase-field simulation studies using RVE sampling and statistical analysis Computational Materials Science 147 204-216 (2018) abstract
F. Emeis, M. Peterlechner, S. V. Divinski, et al. Grain boundary engineering parameters for ultrafine grained microstructures: Proof of principles by a systematic composition variation in Cu-Ni system Acta Materialia 150 262-272 (2018) abstract
E. Ghobadi, A. Marquardt, E. Zirdehi, et al. The influence of water and solvent uptake on functional properties of shape-memory polymers International Journal of Polymer Science 2018 15 (2018) abstract
C. Richter, U. Krupp, M. Zeißig, Ein validiertes Auslegungsverfahren gegen Reibermüdung unter Berücksichtigung plastischer Effekte Teil 1: Versuch und Berechnung Konstruktion 5 83-89 (2018) abstract
E. J. McEniry, T. Hickel, J. Neugebauer, Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures Acta Materialia 150 53-58 (2018) abstract
R. Cherukuri, Study of thermodynamic and mechanical properties relationship using first-principles CALPHAD amd experimental data for Ni 3%X, X=Re, W, Ru alloys Master Thesis Ruhr-Universität Bochum 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
V.I. Razumovskiy, S. V. Divinski, L. Romaner, Solute segregation in Cu: DFT vs. experiment Acta Materialia 147 122-132 (2018) abstract
J. Frenzel, G. Eggeler, E. Quandt, et al. High-performance elastocaloric materials for the engineering of bulk- and micro-cooling devices Materials Research Society 43 280-284 (2018) abstract
D. Korbmacher, J. von Pezold, S. Brinckmann, et al. Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale Metals 8 280 (2018) abstract
S. Gupta, P. Kucharczyk, S. Münstermann, et al. Prestraining induced enhancement in the fatigue limit obtained by load increasing thermal method for metastable austenitic stainless steel Steel Research International 89 1700434 (1-10) (2018) abstract
R. Hadian, B. Grabowski, M. Finnis, et al. Migration mechanisms of a faceted grain boundary Physical Review Materials 2 043601 (2018) abstract
J. Tenkamp, A. Koch, S. Knorrre, et al. Defect-correlated fatigue assessment of A356-T6 aluminum cast alloy using computed tomography based Kitagawa-Takahashi diagrams International Journal of Fatigue 108 25-34 (2018) abstract
M. Tian, Microstructural and mechanical investigation of a selective electron beam melted in single crystal Ni-base superalloy Master Thesis Ruhr-Universität Bochum abstract
J. Albina, A. Marusczyk, T. Hammerschmidt, et al. Finite-temperature property-maps of Li-Mn-Ni-O cathode materials from ab initio calculations Journal of Material Chemistry A 6 5687-5694 (2018) abstract
M. R. Hassani, P. S. Engels, F. Varnik, Wall effects on spatial correlations of non-affine strain in a 3D model glass EPL Journal 121 18005 (2018) abstract
S. M. M. Noori, Effect of Si on pearlite transformation in steel Master Thesis Ruhr-Universität Bochum abstract
M. Vaidya, K.G. Pradeep, B.S. Murty, et al. Bulk tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys Acta Materialia 146 211-224 (2018) abstract
Y. Ikeda, F. Körmann, B. Dutta, et al. Temperature-dependent phonon spectra of magnetic random solid solutions Computational Materials 4 7 (2018) abstract
Z. Zhang, J. Cui, B. Wang, et al. In situ TEM observation of rebonding on fractured silicon carbide Nanoscale 10 6261-6269 (2018) abstract
U. Krupp, K. Jahns, K. Balinski, et al. Numerical analysis of diffusion-controlled internal corrosion by the cellular automata approach Defect and Diffusion Forum 383 51-58 (2018) abstract
D. Edström, D. G. Sangiovanni, L. Hultman, et al. Elastic properties and plastic deformation of TiC- and VC-based pseudobinary alloys Acta Materialia 144 376-385 (2018) abstract
C. Liebscher, M. Yao, P. Dey, et al. Tetragonal fcc-Fe induced by kappa-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory Physiacal Review Materials 2 023804 (2018) abstract
T. Schaffner, A. Hartmaier, V. Kokotin, et al. Analysis of hydrogen diffusion and trapping in ultra-high strength steel grades Journal of Alloys and Compounds 746 557-566 (2018) abstract
B. Dutta, F. Körmann, T. Hickel, et al. Impact of Co and Fe doping on the martensitic transformation and the magnetic properties in Ni-Mn-based Heusler alloys Physica Status Solidi b 255 1700455 (2018) abstract
R. Schiedung, I. Steinbach, F. Varnik, Multi-phase-field method for surface tension induced elasticity Physical Review B 97 035410 (2018) abstract
M. Almodallaleh, Anwendungen von automatisierter Datenverarbeitung auf Doppelscherversuche von Nickelbasissuperlegierung Master Thesis Ruhr-University Bochum abstract
T. Waurischk, M. Söker, A. Giertler, et al. Slip band formation and crack initiation during very high cycle fatigue of duplex stainless steel – part 1: Mechanical testing and microstructural investigations Fatigue of materials at very high numbers of loading cycles SPRINGER FACHMEDIEN, WIESBADEN 95-110 (2018) abstract
J. Wang, G. Madsen, R. Drautz, Grain boundaries in bcc-Fe: A density-functional theory and tight-binding study Modelling and simulation in materials science and engineering 26 025008 (2018) abstract
D. G. Sangiovanni, A. B. Mei, D. Edström, et al. Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands Physical Review B 97 035406 (2018) abstract
M. Naderi, M. Peterlechner, S. V. Divinski, et al. The effect of pre-annealing on defects, microstructure and recrystallization of ultra-fine grained Al produced by high-pressure torsion Materials Science and Engineering A 708 171-180 (2017) abstract
K. Gillner, S. Münstermann, Numerically predicted high cycle fatigue properties through representative volume elements of the microstructure International Journal of Fatigue 105 219-234 (2017) abstract
L. Zhu, B. Grabowski, J. Neugebauer, Efficient approach to compute melting properties fully from ab initio with application to Cu Physical Review B B 224202 (2017) abstract
A. Izardar, Investigation of self-diffusion in Mo using classical molecular dynamics simulations Master Thesis Ruhr-Universität Bochum abstract
M. Tegeler, Massively parallel multiphase field simulations PhD Thesis Ruhr-Universität Bochum abstract
A. Mishra, First principles calculations on field evaporation from metal surfaces Master Thesis MPIE Düsseldorf, Ruhr-Universität Bochum abstract
T. Chakraborty, Atomistic modelling of phase transitions in Ti-Ta high-temperature shape memory alloys PhD Thesis Ruhr-Universität Bochum abstract
S. Gao, U. Gogilan, A. Ma, et al. Numerically efficient microstructure-based calculation of internal stresses in superalloys Modelling and Simulation in Materials Science and Engineering 26 025001 (20pp) (2017) abstract
E. Pogorelov, J. Kundin, Programs for the calculation of the spinodal decomposition growth rate and the spinodal gap in nanoparticles Comp. Mater Sci. Data in Brief 15 840-850 (2017) abstract
T. Pradhan, Comparison of various interatomic potentials for point-defect migration in transition metals Master Thesis Ruhr-Universität Bochum abstract
M. J. Yao, E. Welsch, D. Ponge, et al. Strengthening and strain hardening mechanisms in a precipitation-hardened high-Mn lightweight steel Acta Materialia 140 258-273 (2017) abstract
Q. Zheng, A. B. Mei, M. Tuteja, et al. Phonon and electron contributions to the thermal conductivity of VNx epitaxial layers Physical Review Materials 1 065002 (2017) abstract
U. Krupp, A. Giertler, K. Koschella, Microscopic damage evolution during very‐high‐cycle fatigue (VHCF) of tempered martensitic steel Fatigue and Fracture of Engineering Materials and Structures 40 1731-1740 (2017) abstract
M. Ipekoglu, O. Erbas, H. u. Hassan, Comparison of deep drawability of AA5754-H22 and AA6061-T6 aluminum alloys for automotive applications Material testing, Materialprüfung Volume 59 1003-1008 (2017) abstract
A. Leineweber, T. Hickel, B. Azimi-Manavi, et al. Crystal structures of Fe4C vs. Fe4N analysed by DFT calculations: Fcc-based interstitial superstructures explored Acta Materialia 140 433-442 (2017) abstract
N. Vajragupta, H. u. Hassan, A. Hartmaier, Towards prediction of springback in deep drawing using a micromechanical modeling scheme Procedia Engineering 207 60-65 (2017) abstract
M. Boeff, H. u. Hassan, A. Hartmaier, Micromechanical modeling of fatigue crack initiation in polycrystals Journal of Materials Research 32 4375-4386 (2017) abstract
D. M. Alfaouri, Atomistic modeling of interfaces between topologically close-packed and cubic structures Master Thesis Ruhr-Universität Bochum abstract
H. Alvaro Galue, G. Díaz Leines, Origin of spectral band patterns in the cosmic unidentified infrared emission Physical Review Letters 119 171102 (2017) abstract
D. Liu, D. Huang, S. Liu, et al. Composition-dependent tracer diffusion coefficients in the B2 Ni–Al–Ti alloy via a combination of radiotracer and diffusion couple techniques Journal of Alloys and Compounds 720 332-339 (2017) abstract
F. Körmann, Y. Ikeda, B. Grabowski, et al. Phonon broadening in high entropy alloys Computational Materials 3 36 (2017) abstract
E. Pogorelov, J. Kundin, M. Fleck, Analysis of the dependence of spinodal decomposition in nanoparticles on boundary reaction rate and free energy of mixing Computational Materials Science 140 105-112 (2017) abstract
Z. Li, F. Körmann, B. Grabowski, et al. Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity Acta Materialia 136 262-270 (2017) abstract
N. Vajragupta, S. Ahmed, M. Boeff, et al. Micromechanical Modeling Approach to Derive the Yield Surface for BCC and FCC Steels Using Statistically Informed Microstructure Models and Nonlocal Crystal Plasticity Physical Mesomechanics 20 100-108 (2017) abstract
J. Burow, J. Frenzel, C. Somsen, et al. Grain nucleation and growth in deformed NiTi shape memory alloys. an in situ TEM study Shape Memory and Superelasticity 3 347–360 (2017) abstract
M. Kanani, A. Hartmaier, R. Janisch, The shear instability energy: a new parameter for materials design? Modelling and Simulation in Materials Science and Engineering 25 075009 (2017) abstract
D. Gambino, D. G. Sangiovanni, B. Alling, et al. Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN Physical Review B 96 104306 (2017) abstract
Z.B. Wang, S. V. Divinski, Z.P. Luo, et al. Revealing interfacial diffusion kinetics in ultra-fine laminated Ni with low-angle grain boundaries Materials Research Letters 5 577-583 (2017) abstract
T. Hammerschmidt, A. Bialon, R. Drautz, Structure map including off-stoichiometric and ternary sp-d-valent compounds Modelling and Simulation in Materials Science and Engineering 25 074002 (2017) abstract
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
H. J. Maier, E. Karsten, A. Paulsen, et al. Mircrostructural evolution and functional fatigue of a Ti-25Ta high-temperature shape memory alloy International Journal of Materials Research 32 4287-4295 (2017) abstract
M. Kulosa, M. Neumann, M. Boeff, et al. A study on microstructural parameters for the characterization of granular porous ceramics using a combination of stochastic and mechanical modeling International Journal of Applied Mechanics 09 1750069 (2017) abstract
A. Marusczyk, J. Albina, T. Hammerschmidt, et al. Oxygen activity and peroxide formation as charge compensation mechanisms in Li2MnO3 Journal of Materials Chemistry A 5 15183-15190 (2017) abstract
D. Naujoks, Y. M. Eggeler, P. Hallensleben, et al. Identification of a ternary μ-phase in the Co-Ti-W system - an advanced correlative thin-film and bulk combinatorial materials investigation Acta Materialia 138 100-110 (2017) abstract
C. Hüter, J. Neugebauer, G. Boussinot, et al. Modelling of grain boundary dynamics using amplitude equations Continuum Mechanics and Thermodynamics 29 895-911 (2017) abstract
A. Marusczyk, Ab-initio modeling of HE-NCM as cathode materials for Lithium-Ion batteries PhD Thesis Ruhr-Universität Bochum abstract
M. Tegeler, A. Monas, O. Shchyglo, et al. Effect of microstructure during dendritic solidification on melt flow: A Phase-field– lattice-Boltzmann study Proceedings of the 6th Decennial International Conference on Solidification Processing (2017) abstract
Y. Liang, Nucleation in Ni-Al alloys - an atomistic study Master Thesis Ruhr-Universität Bochum abstract
E. J. McEniry, T. Hickel, J. Neugebauer, Hydrogen behaviour at twist grain boundaries in alpha-Fe Philosophical Transactions of The Royal Society A 375 20160402 (2017) abstract
A. Giertler, N. Heilemann, B. Dönges, et al. Evaluation of three-dimensional microstructural effects on damage evolution during VHCF loading of a duplex stainless steel – Mechanisms of damage evolution and corresponding fatigue life Proceedings of the International Conference on Very High Cycle Fatigue VHCF7, Dresden (2017) abstract
M. Vaidya, K.G. Pradeep, B.S. Murty, et al. Radioactive isotopes reveal a non sluggish kinetics of grain boundary diffusion in high entropy alloys Scientific Reports 7 12273 (2017) abstract
G. Sutmann, H. Ganesan, C. Begau, Cluster formation in stochastic disk systems AIP Conference Proceedings 1863 560089 (2017) abstract
R. Schiedung, R. Darvishi Kamachali, I. Steinbach, et al. Multi-phase-field model for surface/phase-boundary diffusion Physical Review E 96 012801 (2017) abstract
T. Ungar, J. Frenzel, S. Gollerthan, et al. On the competition between the stress-induced formation of martensite and dislocation plasticity during crack propagation in pseudoelastic NiTi shape memory alloys Journal of Materials Research 32 4433-4442 (2017) abstract
T. A. Timmerscheidt, P. Dey, D. Bogdanovski, et al. The role of κ-carbides as hydrogen traps in high-Mn steels Metals 7 264 (2017) abstract
U. Krupp, A. Giertler, K. Koschella, The significance of microstructure inhomogeneities during VHCF of tempered martensitic steel Proceedings of the International Conference on Very High Cycle Fatigue VHCF7, Dresden (2017) abstract
S. Vakili, I. Steinbach, F. Varnik, On the numerical evaluation of local curvature for diffuse interface models of microstructure evolution Procedia Computer Science 108 1852-1862 (2017) abstract
S. Münstermann, J. Lian, B. Wu, Modelling of ductile fracture under non-proportional strain paths Proceedings of the 14th International Conference on Fracture, Rhodes, 1, . June 2017 1 (2017) abstract
X. Zhang, T. Hickel, J. Rogal, et al. Origin of structural modulations in ultrathin Fe films on Cu(001) Physical Review Letters 118 236101 (2017) 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
C. Richter, U. Krupp, M. Zeißig, Plastic effects on high cycle fatigue at the edge of contact of turbine blade fixtures Proceedings of ASME Turbo Expo 2017: Turbomachinery Technical Conference and Exposition, Charlotte, U.S.A 7A V07AT31A008 (2017) abstract
I. Roslyakova, Modeling thermodynamical properties by segmented non-linear regression PhD Thesis ICAMS, Ruhr-Universität Bochum abstract
C. Freysoldt, On-the-fly parameterization of internal coordinate force constants for quasi-Newton geometry optimization in atomistic calculations Computational Materials Science 133 71-81 (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
F. Körmann, A. V. Ruban, M. Sluiter, Long-ranged interactions in bcc NbMoTaW high-entropy alloys Materials Research Letters 5 35-40 (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
K. Koschella, A. Giertler, U. Krupp, Significance of the microstructure hierarchy on VHCF crack initiation and propagation in tempered martensitic steel Proceedings of the 14th International Conference on Fracture, Rhodes 1 (2017) abstract
L. Huber, B. Grabowski, M. Militzer, et al. Ab initio modelling of solute segregation energies to a general grain boundary Acta Materialia 132 138-148 (2017) abstract
T. Schablitzki, J. Rogal, R. Drautz, A kinetic Monte Carlo approach to diffusion-controlled thermal desorption spectroscopy Philosophical Transactions of The Royal Society A 375 20160404 (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, Hungary 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
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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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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
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J. Drain, Development of magnetic bond-order potentials for Mn and Fe-Mn PhD Thesis University of Oxford abstract
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C. Schwarze, Grain boundary motion of carbon nanotube reinforced aluminium Master Thesis Mechanical Engineering, Ruhr-University Bochum, Germany abstract
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D. Korbmacher, Dual scale modeling of hydrogen embrittlement Master Thesis Ruhr-Universität Bochum, Faculty of Physics and Astronomy abstract
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X. Guo, W. Bleck, J. Post, et al. Delayed cracking in meta-stable austenitic stainless steels and its prediction by FEM simulation Stainless Steel World Conference & Exhibition, Maastricht (2009) abstract
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M. Apel, I. Steinbach, Dendritic solidification in the diffuse regime and under the influence of buoyancy-driven melt convection Phase Transformations in Multicomponent Melts WILEY-VCH, WEINHEIM 373-385 (2008) abstract
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Ch. A. Gandin, I. Steinbach, Direct modeling of structure formation ASM Handbook ASM INTERNATIONAL 15 435-444 (2008) abstract
W. Bleck, F. Gerdemann, Improved mechanical properties by control of bainite transformation Thermo-Mechanical Simulation and Processing of Steels, 2nd International Conference SimPro 12-23 (2008) abstract
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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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