Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
See also for this department: Members Publications
A. Obaied, Bocklund, Brandon, S. Zomorodpoosh, et al. Thermodynamic re-assessment of pure chromium using modified segmented regression model CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 69 101762 (2020) abstract
M. A. Ali, W. Amin, O. Shchyglo, et al. 45-degree rafting in Ni-based superalloys: A combined phase-field and strain gradient crystal plasticity study International Journal of Plasticity 128 102659 (2020) abstract
N. H. Paulson, S. Zomorodpoosh, I. Roslyakova, et al. Comparison of statistically-based methods for automated weighting of experimental data in CALPHAD-type assessment CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 68 1-9 (2020) abstract
H. F. M. A. Salama, J. Kundin, O. Shchyglo, et al. Role of inclination dependence of grain boundary energy on the microstructure evolution during grain growth Acta Materialia 188 641-651 (2020) abstract
M. A. Ali, J. V. Görler, I. Steinbach, Role of coherency loss on rafting behavior of Ni-based superalloys Computational Materials Science 171 109279 (2020) abstract
J. Kundin, I. Steinbach, Quantum-phase-field: From de Broglie–Bohm double-solution program to doublon networks Z. Naturforsch. 75 155-170 (2020) abstract
A. Jana, S. Sridar, S. G. Fries, et al. Thermodynamic modelling of the Ni–Zr system Intermetallics 116 106640 (1-11) (2020) abstract
M. R. Hassani, M. M. Bruns, F. Varnik, A crossover in spatio-temporal correlations of strain fluctuations in glass forming liquids Journal of Statistical Mechanics: Theory and Experiment (JSTAT) 2020 014002 (2020) abstract
M. Slapakova, A. Zendegani, C. Liebscher, et al. Atomic scale configuration of planar defects in the Nb-rich C14 Laves phase NbFe2 Acta Materialia 183 362-376 (2020) abstract
S. Gao, M. A. Ali, A. Hartmaier, Influence of rafted microstructures on creep in Ni-base single crystal superalloys: a 3D discrete dislocation dynamics study Modelling and Simulation in Materials Science and Engineering 28 025001 (2019) abstract
M. R. Hassani, A. Lagogianni, F. Varnik, Probing the degree of heterogeneity within a shear band of a model glass Physical Review Letters 123 195502 (2019) abstract
N.S. Moghaddam, S. Saedi, A. Amerinatanzi, et al. Achieving superelasticity in additively manufactured NiTi in compression without post-process heat treatment Scientific Reports 9 1-11 (2019) abstract
Y. Jiang, S. Zomorodpoosh, I. Roslyakova, et al. Thermodynamic re-assessment of the binary Cr–Ta system down to 0 K International Journal of Materials Research 110 797-807 (2019) abstract
W. Amin, M. A. Ali, N. Vajragupta, et al. Studying grain boundary strengthening by dislocation-based strain gradient crystal plasticity coupled with a multi-phase-field model Materials 12 2977 (2019) abstract
J. Kundin, I. Steinbach, Comparative study of different anisotropy and potential formulations of phase-field models for dendritic solidification Computational Materials Science 170 109197 (2019) abstract
O. Shchyglo, G. Du, J. K. Engels, et al. Phase-field simulation of martensite microstructure in low-carbon steel Acta Materialia 175 415-425 (2019) abstract
M. R. Hassani, Shear banding in amorphous solids: From correlations of local plastic deformation to percolating shear bands, a molecular dynamics study PhD Thesis Faculty of mechanical engineering, Ruhr-Universität Bochum, Germany abstract
K. Reuther, S. Hubig, I. Steinbach, et al. Solute trapping in non-equilibrium solidification: a comparative model study Materialia 6 100256 (2019) abstract
C. Wang, M. A. Ali, S. Gao, et al. Combined phase-field crystal plasticity simulation of P- and N-type rafting in Co-based superalloys Acta Materialia 175 21-34 (2019) abstract
B. Bocklund, R. Otis, A. Egorov, et al. ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu–Mg MRS Communications: Artificial Intelligence Research Letter 9 618-627 (2019) abstract
H.C. Wang, C. Somsen, Y.J. Li, et al. Effect of Nb on improving the impact toughness of Mo-containing low-alloyed steels Journal of Materials Science 54 7307–7321 (2019) abstract
J. Kundin, A. Ramazani, U. Prahl, et al. Microstructure evolution of binary and multicomponent manganese steels during selective laser melting: phase-field modeling and experimental validation Metallurgical and Materials Transactions A 50 2022-2040 (2019) abstract
P. Hallensleben, F. Scholz, P. Thome, et al. On crystal mosaicity in single crystal Ni-based superalloys Crystals 149 1-19 (2019) abstract
Sergeev, D., Reis, B. H., Ziegner, M., et al. Comprehensive analysis of thermodynamic properties of calcium nitrate J. Chem. Thermodynamics 134 187-194 (2019) abstract
P. Wang, J. Koßmann, U. R. Kattner, et al. Thermodynamic assessment of the Co-Ta system Calphad 64 205-212 (2019) abstract
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
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. 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
U. H. Solanki, Influence of the process parameters on melt flow behavior in low pressure sand casting applying numerical and experimental method Master Thesis STKS abstract
M. Afshar, F. Mao, H. Jiang, 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
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
C.L.M Alves, J. Rezende, D. Senk, et al. Peritectic phase transformation in the Fe–Mn and Fe–C system utilizing simulations with phase-field method Journal of Materials Research and Technology 8 233-242 (2019) abstract
E. Mahmoudinezhad Zirdehi, F. Varnik, Non-monotonic effect of additive particle size on the glass transition in polymers The Journal of Chemical Physics 150 024903 (2019) abstract
J. Park, R. Darvishi Kamachali, S.-D. Kim, et al. First evidence for mechanism of inverse ripening from in-situ TEM and phase-field study of δ′ precipitation in an Al-Li alloy Scientific Reports 9 3981 (2019) abstract
H. F. M. A. Salama, Orientation distribution of grain boundary in a multigrain structure with anisotropic interface energy Master Thesis ICAMS, Ruhr-Universität Bochum 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
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
A. Obaied, Application of machine learning for thermo-physical properties of transition metals Master Thesis Ruhr-Universität Bochum 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
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
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
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
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
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
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
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
H. Sohaib, The study of the effect of porosity on the grain growth in polycrystalline ceramic fibers Master Thesis Ruhr-Universität Bochum abstract
G. C. Diyoke, Effect of gravity on dendritic solidification kinetics of binary Al-Mg alloy Master Thesis Ruhr-Universität Bochum abstract
J. Kundin, R. Schiedung, H. Sohaib, et al. Phase-field modeling of pores and precipitates in polycrystalline systems Modelling and Simulation in Materials Science and Engineering 26 065003 (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
M. Gross, F. Varnik, Shear-density coupling for a compressible single-component yield-stress fluid Soft Matter 14 4577-4590 (2018) abstract
M. A. Ali, High temperature creep in Ni-based superalloys Master Thesis Ruhr-Universität Bochum 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 7819353 (2018) abstract
E. Ghobadi, A. Marquardt, E. Mahmoudinezhad Zirdehi, et al. The influence of water and solvent uptake on functional properties of shape-memory polymers International Journal of Polymer Science 2018 7819353 (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
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
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. M. M. Noori, Effect of Si on pearlite transformation in steel Master Thesis Ruhr-Universität Bochum 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
M. K. Rajendran, γ − γ ′ Microstructure Evolution in Single Crystal (SX) Ni-base superalloys PhD Thesis Ruhr-Universität Bochum 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
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
M. Tegeler, Massively parallel multiphase field simulations PhD Thesis Ruhr-Universität Bochum abstract
C. Schwarze, Simulation and Investigation of Precipitation in Aluminium Alloys PhD Thesis Ruhr-Universität Bochum 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
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
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
R. Schiedung, R. Darvishi Kamachali, I. Steinbach, et al. Multi-phase-field model for surface and phase-boundary diffusion Physical Review E 96 012801 (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
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
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
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. 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
M. Tegeler, O. Shchyglo, R. Darvishi Kamachali, et al. Parallel multiphase field simulations with OpenPhase Computer Physics Communications 215 173 - 187 (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
I. Roslyakova, Modeling thermodynamical properties by segmented non-linear regression PhD Thesis ICAMS, Ruhr-Universität Bochum 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
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
R. Darvishi Kamachali, C. Schwarze, Inverse ripening and rearrangement of precipitates under chemomechanical coupling Computational Materials Science 130 292-296 (2017) abstract
A. Gupta, B. T. Kavakbasi, B. Dutta, et al. Low-temperature features in the heat capacity of unary metals and intermetallics for the example of bulk aluminum and Al3Sc Physical Review B 95 094307 (2017) abstract
J. Hiebeler, Recovery and Recrystallization during hot deformation in austenitic steel PhD Thesis Ruhr-Universität Bochum 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
I. Steinbach, Quantum-phase-field concept of matter: Emergent gravity in the dynamic universe Zeitschrift fur Naturforschung A 72 51–58 (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
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
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
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
G. Du, Phase-field simulation of lath martensite in low-carbon steel 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
A. Monas, Phase-field simulation of morphology evolution during eutectic solidification PhD Thesis Ruhr-Universität Bochum abstract
N. Alemayehu, I. Steinbach, Phase field modeling of intercalation kinetics: A finite interface dissipation approach MRS Communications 6 270-282 (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
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
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
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
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
A. A. H. 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
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
A. A. H. 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
E. Turchenko, Automated data proceeding and its application to creep experiments Master Thesis Ruhr-Universität Bochum abstract
E. Turchenko, Automated data proceeding and its application to creep experiments Master Thesis Ruhr-Universtität Bochum 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
P. L. Veluvali, Influence of interstitial defects on the structural and mechanical properties of lamellar TiAl alloys Master Thesis Ruhr-Universität Bochum abstract
S. Surendralal, Automated calculations for charged point defects in magnesium oxide and iron oxides Master Thesis Ruhr-Universität Bochum 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
D. Belardinelli, M. Sbragaglia, L. Biferale, et al. Fluctuating multicomponent lattice Boltzmann model Physical Review E 91 023313 (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
B. Sundman, U. R. Kattner, M. Palumbo, et al. OpenCalphad - a free thermodynamic software Integrating Materials and Manufacturing Innovation 4 1 (2015) abstract
A. Hariri, Phase transitions in high manganese steels: Simulation and experiment Master Thesis Ruhr-Universität Bochum abstract
B. Sundman, M. Stratmann, L. Zhang, et al. Computational thermodynamics and its applications in materials science Materials China 34 15-29 (2015) abstract
F. Farahpour, M. R. Ejtehadi, F. Varnik, Polyelectrolytes polarization in nonuniform electric fields International Journal of Modern Physics C 25 1 - 9 (2014) abstract
N. S. H. Gunda, Coarse grained lattice dynamics using compressive sensing Master Thesis Ruhr-Universität Bochum, ICAMS, AMS, Bochum, Germany abstract
A. A. H. Breidi, M. Andasmas, J. C. Crivello, et al. Experimental and computed phase diagrams of the Fe-Re system Journal of Physics: Condensed Matter 26 485402 (2014) abstract
L. Klein, A. Zendegani, M. Palumbo, et al. First approach for thermodynamic modelling of the high temperature oxidation behaviour of ternary γ strengthened Co-Al-W superalloys Corrosion Science 89 1-5 (2014) abstract
A. Zendegani, Modelling the morphological instability of the oxidation front in binary alloys by phase-field Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
L. M. S. Govinda Sharma, Effect of martensite fraction on cooling rate and grain size Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
M. K. Rajendran, O. Shchyglo, I. Steinbach, Large scale 3-D phase-field simulation of coarsening in Ni-base superalloys MATEC Web of Conferences: EUROSUPERALLOYS 2014 – 2nd European Symposium on Superalloys and their Applications 14 11001 (2014) abstract
M. U. Ilyas, Lagrangian dynamics simulation of cubic to tetragonal martensitic phase transformations Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
J. Mosler, O. Shchyglo, H. Montazer Hojjat, A novel homogenization method for phase field approaches based on partial rank-one relaxation Journal of the Mechanics and Physics of Solids 68 251-266 (2014) abstract
N. Alemayehu, Intercalation kinetics of battery- and related materials PhD Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
V. Sai Pavan Bhogireddy, C. Hüter, J. Neugebauer, et al. Phase-field modeling of grain-boundary premelting using obstacle potentials Physical Review E 90 012401 (2014) abstract
C. Bera, S. Jacob, I. Opahle, et al. Integrated computational materials discovery of silver doped tin sulfide as a thermoelectric material Physical Chemistry Chemical Physics 16 19894-19899 (2014) abstract
S. Mandal, S. Lang, M. Gross, et al. Multiple reentrant glass transitions in confined hard-sphere glasses Nature Communications 5 4435 (2014) abstract
M. Palumbo, S. G. Fries, A. Dal Corso, et al. Reliability evaluation of thermophysical properties from first-principles calculations Journal of Physics: Condensed Matter 26 335401 (2014) abstract
M. Ghasemi, B. Sundman, S. G. Fries, et al. The thermodynamic assessment of the Au-In-Ga system Journal of Alloys and Compounds 600 178–185 (2014) abstract
P. Schumacher, M. Reich, V. Mohles, et al. Correlation between supersaturation of solid solution and mechanical behaviour of two binary Al-Si-alloys Materials Science Forum: Proceedings of the Aluminium Alloys 2014 - ICAA14 794-796 508-514 (2014) abstract
E. Borukhovich, P. S. Engels, T. Böhlke, et al. Large strain elasto-plasticity for diffuse interface models Modelling and Simulation in Materials Science and Engineering 22 034008 (2014) abstract
R. Drautz, I. Steinbach, Applications of scale-bridging to computational materials design Modelling and Simulation in Materials Science and Engineering 22 030201 (2014) abstract
F. Varnik, S. Mandal, V. Chikkadi, et al. Correlations of plasticity in sheared glasses Physical Review E 89 1 - 6 (2014) abstract
R. Darvishi Kamachali, E. Borukhovich, N. Hatcher, et al. DFT-supported phase-field study on the effect of mechanically driven fluxes in Ni4Ti3 precipitation Modelling and Simulation in Materials Science and Engineering 22 034003 (2014) abstract
M. Palumbo, S. G. Fries, A. Pasturel, et al. Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase The Journal of Chemical Physics 140 144502 (2014) abstract
H. Kim, S. G. Kim, W. Dong, et al. Phase-field modeling for 3D grain growth based on a grain boundary energy database Modelling and Simulation in Materials Science and Engineering 22 034004 (2014) abstract
F. Falsafi, Thermophysical properties of Ti and Ni-Ti alloys: first-principle calculations compared to evaluated emperimental results Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
M. Gross, T. Krüger, F. Varnik, Rheology of dense suspensions of elastic capsules: normal stresses, yield stress, jamming and confinement effects Soft Matter 10 4360-4372 (2014) abstract
M. M. Franke, R. Singer, I. Steinbach, Tertiary dendritic instability in late stage solidification of Ni-based superalloys Modelling and Simulation in Materials Science and Engineering 22 025026 (2014) abstract
M. B. Addis, Lattice Boltzmann studies of non-Newtonian fluids Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
H. Emmerich, P. Virnau, G. Wilde, et al. Heterogeneous nucleation and microstructure formation: steps towards a system and scale bridging understanding European Physical Journal Special Topics 223 337-346 (2014) abstract
M. Palumbo, B. Burton, A. Costa e Silva, et al. Thermodynamic modelling of crystalline unary phases Physica Status Solidi B 251 14-32 (2014) abstract
J. V. Görler, Mesoscopic simulation of the influence of misfit dislocations on the morphology of the γ′-phase in Ni-Base superalloys Master Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany abstract
M. Palumbo, S. G. Fries, T. Hammerschmidt, et al. First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re-X systems (X = Ta, V, W) Computational Materials Science 81 433-445 (2014) abstract
J. Rogal, S. V. Divinski, M. Finnis, et al. Perspectives on point defect thermodynamics Physica Status Solidi B 251 97-129 (2014) abstract
T. Hammerschmidt, I.A. Abrikosov, D. Alfe, et al. Including the effects of pressure and stress in thermodynamic functions Physica Status Solidi B 251 81-96 (2014) abstract
T. Hickel, U. R. Kattner, S. G. Fries, Computational thermodynamics: recent developments and future potential and prospects Physica Status Solidi B 251 9-13 (2014) abstract
F. Körmann, A. A. H. Breidi, S. L. Dudarev, et al. Lambda transitions in materials science: recent advances in CALPHAD and first-principles modelling Physica Status Solidi B 251 53-80 (2014) abstract
W. Arif, Superalloy single crystal creep deformation modelling by crystal plasticity finite element method Master Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
R. Mathieu, N. J. Dupin, J. C. Crivello, et al. CALPHAD description of the Mo–Re system focused on the sigma phase modelling CALPHAD 43 18-31 (2013) abstract
R. Darvishi Kamachali, E. Borukhovich, O. Shchyglo, et al. Solutal gradients in strained equilibrium Philosophical Magazine Letters 93 680-687 (2013) abstract
H. R. Hajiyani, U. Preiss, R. Drautz, et al. High-throughput ab initio screening of binary solid solutions in olivine phosphates for Li-ion battery cathodes Modelling and Simulation in Materials Science and Engineering 21 074004 (2013) abstract
W. Beichel, U. Preiss, B. Benkmil, et al. Temperature dependent crystal structure analyses and ion volume determinations of organic salts Journal of Inorganic and General Chemistry 639 2153–2161 (2013) abstract
F. Körmann, B. Grabowski, P. Söderlind, et al. Thermodynamic modelling of chromium: strong and weak magnetic coupling Journal of Physics: Condensed Matter 25 425401 (2013) abstract
M. Stratmann, Simulation of vanadium carbides in microalloyed steel Master Thesis Ruhr-University Bochum, Interdisciplinary Centre for Advanced Materials Simulation abstract
U. Preiss, E. Borukhovich, N. Alemayehu, et al. A permeation model for the electrochemical interface Modelling and Simulation in Materials Science and Engineering 21 074006 (2013) abstract
U. Preiss, P. Eiden, J. Luczak, et al. Modelling the influence of salts on the critical micelle concentration of ionic surfactants Journal of Colloid and Interface Science 412 13-16 (2013) abstract
T. Krüger, M. Gross, D. Raabe, et al. Crossover from tumbling to tank-treading-like motion in dense simulated suspensions of red blood cells Soft Matter 9 9008-9015 (2013) abstract
C.-W. Cho, J. Ranke, J. Arning, et al. In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions SAR and QSAR in Environmental Research 24 863-882 (2013) abstract
S. Mandal, V. Chikkadi, B. Nienhuis, et al. Single-particle fluctuations and directional correlations in driven hard-sphere glasses Physical Review E 88 022129 (2013) abstract
A. Monas, R. Spatschek, C. Hüter, et al. Phase field modeling of phase transitions stimulated by Joule heating Journal of Crystal Growth 375 39-48 (2013) abstract
I. Steinbach, Phase-field model for microstructure evolution at the mesoscopic scale Annual Review of Materials Research 43 89-107 (2013) abstract
I. Steinbach, Why solidification? Why phase-field? JOM - The Journal of The Minerals, Metals & Materials Society (TMS) 65 1096-1102 (2013) abstract
M. Gross, I. Steinbach, D. Raabe, et al. Viscous coalescence of droplets: a lattice Boltzmann study Physics of Fluids 25 052101 (2013) abstract
D. Medvedev, F. Varnik, I. Steinbach, Simulating mobile dendrites in a flow Procedia Computer Science 18 2512-2520 (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
L. Zhang, E. V. Danilova, I. Steinbach, et al. Diffuse-interface modelling of solute trapping in rapid solidification: predictions of the hyperbolic phase-field model and parabolic model with finite interface dissipation Acta Materialia 61 4155–4168 (2013) abstract
N. H. Siboni, D. Raabe, F. Varnik, Maintaining the equipartition theorem in small heterogeneous molecular dynamics ensembles Physical Review E 87 030101 (2013) abstract
F. Varnik, A. G. Rios Nogues, M. Gross, et al. Simulation of viscous sintering using the lattice Boltzmann method Modelling and Simulation in Materials Science and Engineering 21 025003 (2013) 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
R. Darvishi Kamachali, Grain boundary motion in polycrystalline materials PhD Thesis Ruhr-University Bochum, Interdisciplinary Centre for Advanced Materials Simulation, STKS abstract
C. Schwarze, Grain boundary motion of carbon nanotube reinforced aluminium Master Thesis Mechanical Engineering, Ruhr-University Bochum, Germany abstract
H. R. Hajiyani, U. Preiss, R. Drautz, et al. High-throughput ab initio screening of binary solid solutions in olivine phosphates for Li-ion battery cathodes Modelling and Simulation in Materials Science and Engineering 21 074004 (2013) abstract
F. Farahpour, A. Maleknejad, F. Varnik, et al. Chain deformation in translocation phenomena Soft Matter 9 2750-2759 (2013) 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
S. Mandal, M. Gross, D. Raabe, et al. Flow heterogeneity and correlations in a sheared hard sphere glass: insight from computer simulations 4th International Symposium on Slow Dynamics in Complex Systems: Keep Going Tohoku. AIP Conference Proceedings 1518 266-271 (2013) abstract
M. Gross, F. Varnik, Critical dynamics of an isothermal compressible nonideal fluid Physical Review E 86 061119 (2012) abstract
V. Chikkadi, S. Mandal, B. Nienhuis, et al. Shear-induced anisotropic decay of correlations in hard-sphere colloidal glasses EPL Journal 100 56001 (2012) abstract
I. Lopez-Galilea, S. Huth, S. G. Fries, et al. Microsegregation and secondary phase formation during directional solidification of the single-crystal Ni based superalloy LEK94 Metallurgical and Materials Transactions A 43 5153–5164 (2012) abstract
O. Shchyglo, U. Salman, A. Finel, Martensitic phase transformations in Ni–Ti-based shape memory alloys: The Landau theory Acta Materialia 60 6784–6792 (2012) abstract
R. Fechner, M. Stratmann, R. Gößling, et al. The functional role of the ischiopubic membrane for the mechanical loading of the pubis in the domestic fowl (Gallus gallus) Journal of Anatomy 222 305 - 312 (2012) abstract
M. Gross, F. Varnik, Spreading dynamics of nanodrops: A lattice Boltzmann study International Journal of Modern Physics C 25 7 (2012) abstract
C. Hüter, G. Boussinot, E. Brener, et al. Solidification in syntectic and monotectic systems Physical Review E 86 021603 (2012) abstract
M. Gross, F. Varnik, Simulation of static critical phenomena in nonideal fluids with the Lattice Boltzmann method Physical Review E 85 056707 (2012) abstract
I. Steinbach, L. Zhang, M. Plapp, Phase-field model with finite interface dissipation Acta Materialia 60 2689-2701 (2012) abstract
L. Zhang, I. Steinbach, Phase-field model with finite interface dissipation: extension to multi-component multi-phase alloys Acta Materialia 60 2702-2710 (2012) abstract
A. Monas, Modeling of phase change materials for nonvolatile data storage using GPU simulations Master Thesis Ruhr-Universität Bochum, Faculty of Engineering abstract
R. Darvishi Kamachali, I. Steinbach, 3-D phase-field simulation of grain growth: topological analysis versus mean-field approximations Acta Materialia 60 2719-2728 (2012) abstract
S. Mandal, M. Gross, D. Raabe, et al. Heterogeneous shear in hard sphere glasses Physical Review Letters 108 098301 (2012) abstract
Y. Du, L. Zhang, S.L. Cui, et al. Atomic mobilities and diffusivities in Al alloys Science China - Technological Science 55 306-328 (2012) abstract
C.W. Cho, C. Jungnickel, S. Stolte, et al. Determination of LFER descriptors of 30 cations of ionic liquids—progress in understanding their molecular interaction potentials ChemPhysChem 13 780–787 (2012) abstract
U. Preiss, W. Beichel, A. M. T. Erle, et al. Is universal, simple melting point prediction possible? ChemPhysChem 12 2959–2972 (2011) abstract
A. Monas, Funktionsweise und Einflüsse auf die mobile Ultrasonic Contact Impedance (UCI)-Härteprüfung Prakt. Met. Sonderband 43 91-96 (2011) abstract
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
I. Lopez-Galilea, S. Huth, S. G. Fries, et al. Simulation of the external pressure influence on the micro-structural evolution of a single crystal Ni-based superalloy Advanced Materials Research 278 247-252 (2011) abstract
N. Masquelier, H. Zapolsky, W. Lefebvre, et al. Precipitation kinetics study of Al – Zr – X(Sc or Ti) alloys by phase-field simulations and atom-probe tomography Solide State Phenomena 172-174 869-874 (2011) abstract
N. Moradi, M. Gross, F. Varnik, et al. Morphologies of small droplets on patterned hydrophobic substrates Modelling and Simulation in Materials Science and Engineering 19 45005 (2011) abstract
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
I. Steinbach, O. Shchyglo, Phase-field modelling of microstructure evolution in solids: Perspectives and challenges Current Opinion in Solid State and Materials Science 15 87-92 (2011) abstract
M. Gross, R. Adhikari, M. E. Cates, et al. Modelling thermal fluctuations in non-ideal fluids with the lattice Boltzmann method Philosophical Transactions of The Royal Society A 13 2274–2282 (2011) abstract
P. Müller-Buschbaum, D. Magerl, R. Hengstler, et al. Structure and flow of droplets on solid surfaces Journal of Physics: Condensed Matter 23 184111 (2011) abstract
U. Preiss, S.P. Verevkin, T. Koslowski, et al. Going full circle: Phase-transition thermodynamics of ionic liquids Chemistry - A European Journal 17 6508-6517 (2011) abstract
F. Varnik, M. Gross, N. Moradi, et al. Stability and dynamics of droplets on patterned substrates: insights from experiments and lattice Boltzmann simulations Journal of Physics: Condensed Matter 23 184112 (2011) abstract
C.-W. Cho, U. Preiss, C. Jungnickel, et al. Ionic Liquids: Predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solution The Journal of Physical Chemistry B 115 6040-6050 (2011) abstract
P. Uhlmann, F. Varnik, P. Truman, et al. Microfluidic emulsion separation-simultaneous separation and sensing by multilayer nanofilm structures Journal of Physics: Condensed Matter 23 184123 (2011) abstract
W. Guo, I. Steinbach, C. Somsen, et al. On the effect of superimposed external stresses on the nucleation and growth of Ni4Ti3 particles: A parametric phase field study Acta Materialia 59 3287-3296 (2011) abstract
L. Zhang, I. Steinbach, Y. Du, Phase-field simulation of diffusion couples in the Ni-Al system International Journal of Materials Research 102 371-380 (2011) abstract
M. Palumbo, T. Abe, S. G. Fries, et al. First-principles approach to phase stability for a ternary σ phase: Application to Cr-Ni-Re Physical Review B 83 144109 (2011) abstract
O. Dezellus, R. Arroyave, S. G. Fries, Thermodynamic modelling of the Ag-Cu-Ti ternary system International Journal of Materials Research 03 286-294 (2011) abstract
M. Gross, M. E. Cates, F. Varnik, et al. Langevin theory of fluctuations in the discrete Boltzmann equation Journal of Statistical Mechanics: Theory and Experiment 03 1742-5468 (2011) abstract
W. Guo, R. Spatschek, I. Steinbach, An analytical study of the static state of multi-junctions in a multi-phase field model Physica D 240 382-388 (2011) abstract
M. Gross, N. Moradi, G. Zikos, et al. Shear stress in nonideal fluid lattice Boltzmann simulations Physical Review E 83 17701 (2011) abstract
I. Steinbach, M. Plapp, Pearlite revisited Continuum Mechanics and Thermodynamics 1 0935-1175 (2011) abstract
M. Pouya, Lattice-Boltzmann simulation of Gray-Scott model with inhomogeneous reaction rates: Towards applications in vegetation pattern formation Master Thesis Ruhr-Universität Bochum, Faculty of Science and Engineering abstract
S. G. Ayodele, F. Varnik, D. Raabe, Lattice Boltzmann study of pattern formation in reaction-diffusion systems Physical Review E 83 14 (2011) abstract
M. Palumbo, T. Abe, C. Kocer, et al. Ab initio and thermodynamic study of the Cr-Re system CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34 495-503 (2010) abstract
R. Darvishi Kamachali, J. Hua, I. Steinbach, et al. Multiscale simulations on the grain growth process in nanostructured materials International Journal of Materials Research 11 1332-1338 (2010) abstract
M. Gross, R. Adhikari, M. E. Cates, et al. Thermal fluctuations in the lattice Boltzmann method for nonideal fluids Physical Review E 82 056714 (2010) abstract
M. Baricco, M. Palumbo, E. Pinatel, et al. Thermodynamic database for hydrogen storage materials Advances in Science and Technology 72 213-218 (2010) abstract
J. C. Crivello, M. Palumbo, T. Abe, et al. Ab initio ternary σ -phase diagram: The Cr–Mo–Re system CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34 487-494 (2010) abstract
T. Krüger, F. Varnik, D. Raabe, Second-order convergence of the deviatoric stress tensor in the standard Bhatnagar-Gross-Krook lattice Boltzmann method Physical Review E 82 025701 (2010) abstract
L. Zhang, Y. Du, I. Steinbach, et al. Diffusivities of an Al-Fe-Ni melt and their effects on the microstructure during solidification Acta Materialia 58 3664-3675 (2010) abstract
R. Spatschek, A. Karma, Amplitude equations for polycrystalline materials with interaction between composition and Stress Physical Review B 81 214201 (2010) abstract
R. Spatschek, E. A. Brener, A. Karma, Phase field modeling of crack propagation Philosophical Magazine 91 75-95 (2010) abstract
G. Cacciamani, A. Dinsdale, M. Palumbo, et al. The Fe-Ni system: thermodynamic modelling assisted by atomistic calculations Intermetallics 18 1148-1162 (2010) abstract
N. Wang, R. Spatschek, A. Karma, Multi-phase-field analysis of short-range forces between diffuse interfaces Physical Review E 81 051601 (2010) abstract
M. Gross, F. Varnik, D. Raabe, et al. Small droplets on superhydrophobic substrates Physical Review E 81 051606 (2010) abstract
D. Medvedev, Lattice Boltzmann model for simulation of the electric breakdown in liquids Procedia Computer Science 1 811-818 (2010) abstract
W. Guo, I. Steinbach, Multi-phase field study of the equilibrium state of multi-junctions International Journal of Materials Research 101 480-485 (2010) abstract
M. Stiemer, A. Groß-Wöhrmann, S. Gladkov, et al. Efficient and reliable finite element techniques for phase field models International Journal of Materials Research 101 498-502 (2010) abstract
M. Fleck, E. A. Brener, R. Spatschek, et al. Elastic and plastic effects on solid-state transformations: a phase-field study International Journal of Materials Research 101 462-466 (2010) abstract
K. Kassner, R. Spatschek, C. Gugenberger, Phase-field modeling of surface diffusion International Journal of Materials Research 101 456-461 (2010) abstract
D. G. Senk, S. Stratemeier, B. Böttger, et al. Modeling of hot ductility during solidification of steel grades in continuous casting - part I Advanced Engineering Materials 12 94-100 (2010) abstract
B. Böttger, S. Stratmeier, E. Subasic, et al. Modeling of hot ductility during solidification of steel grades in continuous casting - part II Advanced Engineering Materials 12 101-109 (2010) abstract
N. Moradi, F. Varnik, I. Steinbach, Roughness-gradient-induced spontaneous motion of droplets on hydrophobic surfaces: A lattice Boltzmann study Europhysics Letters 89 26006 (2010) abstract
L. Zhang, Y. Du, Q. Chen, et al. Atomic mobilities and diffusivities in the fcc, L12 and B2 phases of the Ni-Al system International Journal of Materials Research 101 1862-5282 (2010) abstract
M. Fleck, C. Hüter, D. Pilipenko, et al. Pattern formation during diffusion limited transformations in solids Philosophical Magazine 90 265-286 (2010) abstract
I. Steinbach, X. Song, A. Hartmaier, Phase-field model with plastic flow for grain-growth in nanocrystalline material Philosophical Magazine 90 485-499 (2010) abstract
P. K. Galenko, S. Reutzel, D. M. Herlach, et al. Dendritic solidification in undercooled Ni-Zr-Al melts: experiments and modeling Acta Materialia 57 6166-6175 (2009) abstract
S. Ayodele, F. Varnik, D. Raabe, Transverse diffusive mixing of solutes in pressure driven microchannels: a Lattice Boltzmann study of the scaling laws La Houille Blanche, International Water Journal 6 93 - 100 (2009) abstract
A. Aghajani, F. Richter, C. Somsen, et al. On the formation and growth of Mo-rich Laves phase particles during long-term creep of a 12% chromium tempered martensite ferritic steel Scripta Materialia 61 1068-1071 (2009) abstract
F. Varnik, K. Binder, Multiscale modelling of polymers at interfaces International Journal of Materials Research 100 1494-1502 (2009) abstract
M. Gross, F. Varnik, D. Raabe, Fall and rise of small droplets on rough hydrophobic substrates Europhysics Letters 88 26002, 1-6 (2009) abstract
N. Warnken, D. Ma, A. Drevermann, et al. Phase-field modelling of as-cast microstructure evolution in nickel-based superalloys Acta Materialia 57 5862-5875 (2009) abstract
I. Steinbach, Phase-field models in materials science; a tutorial review Modelling and Simulation in Materials Science and Engineering 17 073001-31 (2009) abstract
I. Steinbach, Pattern formation in constrained dendritic growth with solutal buoyancy Acta Materialia 57 2640-2645 (2009) abstract
R. Spatschek, C. Gugenberger, E. A. Brener, Effective elastic moduli in solids with high density of cracks Physical Review B 80 144106, 1-8 (2009) abstract
S. G. Fries, B. Boettger, J. Eiken, et al. Upgrading CALPHAD to microstructure simulation: the phase-field method International Journal of Materials Research 100 128-134 (2009) abstract
B. Sundman, I. Ohnuma, N. Dupin, et al. An assessment of the entire Al-Fe system including DO3 ordering Acta Materialia 57 2896-2908 (2009) abstract
M. Apel, S. Benke, I. Steinbach, Virtual dilatometer curves and effective Young’s modulus of a 3D multiphase structure calculated by the phase-field method Computational Materials Science 45 589-592 (2009) abstract
C. Colinet, J. C. Tedenac, S. G. Fries, Structural stability of intermetallic phases in the Sn Ti system Calphad - Experimental and Computational investigation of intermetallic systems: A Special Issue Dedicated to Prof. Riccardo Ferro 33 250-259 (2009) abstract
S. S. Khan, N. Hort, J. Eiken, et al. Numerical determination of heat distribution and castability simulations of as cast Mg-Al alloys Advanced Engineering Materials 11 162-168 (2009) abstract
M. Apel, B. Böttger, J. Rudnizki, et al. Grain growth simulations including particle pinning using the multiphase-field concept ISIJ International 49 1024-1029 (2009) abstract
D. Gosslar, R. Günther, C. Hartig, et al. Grain refinement of γ-TiAl alloys by inoculation Material Research Society Symposium Proceedings 1128 1128-U03-02 (2009) abstract
I. Steinbach, Effect of interface anisotropy on spacing selection in constrained dendrite growth Acta Materialia 56 4965-4971 (2008) abstract
J. Imlau, W. Bleck, S. Zaefferer, et al. Development of a simulation approach to microstructure evolution during solidification and homogenization using the phase-field method Superalloys 951-960 (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
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
B. Boettger, M. Apel, J. Eiken, et al. Phase-field simulation of solidification and solid-state transformations in multicomponent steels Steel Research International 79 608-616 (2008) abstract
Ch. A. Gandin, I. Steinbach, Direct modeling of structure formation ASM Handbook ASM INTERNATIONAL 15 435-444 (2008) abstract
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