Publications
N. S. H. Gunda, Coarse grained lattice dynamics using compressive sensing Master Thesis Ruhr-Universität Bochum, ICAMS, AMS, Bochum, Germany 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
S. Schuwalow, J. Rogal, R. Drautz, Vacancy mobility and interaction with transition metal solutes in Ni Journal of Physics: Condensed Matter 26 485014 (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. 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
M. Sharaf, P. Kucharczyk, N. Vajragupta, et al. Modeling the microstructure influence on fatigue life variability in structural steels Computational Materials Science 94 258-272 (2014) abstract
M. Kanani, A. Hartmaier, R. Janisch, Interface properties in lamellar TiAl microstructures from density functional theory Intermetallics 54 154-163 (2014) abstract
N. Vajragupta, P. Wechsuwanmanee, J. Lian, et al. The modeling scheme to evaluate the influence of microstructure features on microcrack formation of DP-steel: the artificial microstructure model and its application to predict the strain hardening behavior Computational Materials Science 95 198-213 (2014) abstract
J. Lian, N. Vajragupta, S. Münstermann, et al. A method to quantitatively upscale the damage initiation of dual-phase steels under various stress states from microscale to macroscale Computational Materials Science 94 245–257 (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
T. Schablitzki, Atomistic study of kinetic processes of solid-state phase transformation in FeCr with topological fingerprints PhD Thesis Ruhr-Universität Bochum, ICAMS, AMS, Bochum, Germany abstract
G. Laplanche, J. Pfetzing-Micklich, G. Eggeler, Sudden stress-induced transformation events during nanoindentation of NiTi shape memory alloys Acta Materialia 78 144-160 (2014) abstract
V. Perekrestov, A. Kornyushchenko, Y. Kosminska, et al. Formation of porous low-dimensional nickel systems during near-equilibrium condensation in ultrapure inert environment Applied Surface Science 316 155-162 (2014) abstract
K. Chockalingam, R. Janisch, A. Hartmaier, Coupled atomistic-continuum study of the effects of C atoms at α-Fe dislocation cores Modelling and Simulation in Materials Science and Engineering 22 075007 (2014) abstract
F. Körmann, B. Grabowski, B. Dutta, et al. Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment Physical Review Letters 113 165503 (2014) abstract
U. Tutsch, B. Wolf, S. Wessel, et al. Evidence of a field-induced Berezinskii-Kosterlitz-Thouless scenario in a two-dimensional spin-dimer system Nature Communications 5 5169 (2014) abstract
G. Wilde, Physical metallurgy of nanocrystalline metals Physical Metallurgy ELSEVIER SCIENCE LTD., OXFORD 2707-2805 (2014) abstract
J. Millán, S. Sandlöbes, A. Al-Zubi, et al. Designing Heusler nanoprecipitates by elastic misfit stabilization in Fe-Mn maraging steels Acta Materialia 76 94-105 (2014) abstract
H. I. Sözen, Ab initio investigation on the energetics and kinetics of defects in Fe-Al alloys Master Thesis Ruhr-Universität Bochum, ICAMS, Bochum, Germany abstract
M. Boeff, A. Ma, A. Hartmaier, Plastic deformation modelling of tempered martensite steel block structure by a nonlocal crystal plasticity model Theoretical and Applied Mechanics Letters 4 051007 (2014) abstract
M. Wegner, J. Leuthold, M. Peterlechner, et al. Grain boundary and triple junction diffusion in nanocrystalline copper Journal of Applied Physics 116 093514 (2014) abstract
M.Q. Jiang, G. Wilde, J.H. Chen, et al. Cryogenic-temperature-induced transition from shear to dilatational failure in metallic glasses Acta Materialia 77 248-257 (2014) abstract
M.Q. Jiang, G. Wilde, C.B. Qu, et al. Wavelike fracture pattern in a metallic glass: a Kelvin-Helmholtz flow instability Philosophical Magazine Letters 94 669-677 (2014) abstract
R. Sivanesapillai, H. Steeb, A. Hartmaier, Transition of effective hydraulic properties from low to high Reynolds number flow in porous media Geophysical Research Letters 41 4920-4928 (2014) abstract
J. Bokeloh, G. Wilde, High-precision nucleation rate measurements for higher-melting metals Journal of Metals 66 1512-1519 (2014) 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
M. U. Ilyas, Lagrangian dynamics simulation of cubic to tetragonal martensitic phase transformations 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
T. Hickel, S. Sandlöbes, R.K.W. Marceau, et al. Impact of nanodiffusion on the stacking fault energy in high-strength steels Acta Materialia 75 147-155 (2014) 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
N. Alemayehu, Intercalation kinetics of battery- and related materials PhD Thesis Ruhr-Universität Bochum, ICAMS, STKS, Bochum, Germany 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
H. Rösner, M. Peterlechner, C. Kübel, et al. Density changes in shear bands of a metallic glass determined by correlative analytical transmission electron microscopy Ultramicroscopy 142 1-9 (2014) abstract
S. Cosentino, S. Knebel, S. Mirabella, et al. Light absorption in Ge nanoclusters embedded in SiO2: comparison between magnetron sputtering and sol-gel synthesis Applied Physics A 116 233-241 (2014) abstract
V. Yardley, E. Payton, Austenite-martensite/bainite orientation relationship: characterisation parameters and their application Materials Science and Technology 30 1125-1130 (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
Y. Zhang, J. Gao, H. Yasuda, et al. Particle size distribution and composition in phase-separated Cu75Co25 alloys under various magnetic fields Scripta Materialia 82 5-8 (2014) 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
A. Paul, T. Laurila, V. Vuorinen, et al. no title Thermodynamics, diffusion and the Kirkendall effect in solids SPRINGER INT. PUBL. SWITZERLAND, CHAM (2014) abstract
S. Urazhdin, V. E. Demidov, H. Ulrichs, et al. Nanomagnonic devices based on the spin transfer torque Nature Nanotechnology 9 509-513 (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
A. M. Tahir, R. Janisch, A. Hartmaier, Hydrogen embrittlement of a carbon segregated Σ5(310)[001] symmetrical tilt grain boundary in α-Fe Material Science and Engineering A 612 462-467 (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
Y. Zhang, C. Simon, T. Volkmann, et al. Nucleation transitions in an undercooled Cu70Co30 immiscible alloy Applied Physics Letters 105 041908 (2014) abstract
I. Eremin, J. Knolle, R. M. Fernandes, et al. Antiferromagnetism in iron-based superconductors: selection of magnetic order and quasiparticle interference Journal Of The Physical Society Of Japan 83 061015 (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
G. Dennler, R. Chmielowski, S. Jacob, et al. Are binary copper sulfides/selenides really new and promising thermoelectric materials? Advanced Energy Materials 4 1301581 (2014) abstract
B. Reinholz, Discrete disclination dynamics: microstructure evolution in Ni-Mn-Ga shape-memory alloys PhD Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
P. Xiao, D. Sheppard, J. Rogal, et al. Solid-state dimer method for calculating solid-solid phase transitions The Journal of Chemical Physics 140 174104 (2014) abstract
S. Roy, S. Prasad, S. V. Divinski, et al. Diffusion pattern in MSi2 and M5Si3 silicides in group VB (M = V, Nb, Ta) and VIB (M = Mo, W) refractory metal-silicon systems Philosophical Magazine 94 1508-1528 (2014) abstract
D. Prokoshkina, L. Klinger, A. Moros, et al. Effect of recrystallization on diffusion in ultrafine-grained Ni Acta Materialia 69 314-325 (2014) abstract
A. Janghorban, J. Pfetzing-Micklich, J. Frenzel, et al. Investigation of the thin-film phase diagram of the Cr-Ni-Re system by high-throughput experimentation Advanced Engineering Materials 16 588-593 (2014) abstract
Y. Zhang, Z. Wu, M. Wang, et al. Effect of undercooling on particle size distribution in phase separated Cu75Co25-xMx (M = Ni, Fe) alloys with low M content Journal of Alloys and Compounds 596 55-57 (2014) abstract
M. Ford, R. Drautz, T. Hammerschmidt, et al. Convergence of an analytic bond-order potential for collinear magnetism in Fe Modelling and Simulation in Materials Science and Engineering 22 034005 (2014) abstract
N. Hatcher, G. Madsen, R. Drautz, Parameterized electronic description of carbon cohesion in iron grain boundaries Journal of Physics: Condensed Matter 26 145502 (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
J. Bünz, T. Brink, K. Tsuchija, et al. Low temperature heat capacity of a severely deformed metallic glass Physical Review Letters 112 135501 (2014) abstract
S. V. Madge, A. Caron, R. Gralla, et al. Novel W-based metallic glass with high hardness and wear resistance Intermetallics 47 6-10 (2014) abstract
G. Laplanche, J. Pfetzing-Micklich, G. Eggeler, Orientation dependence of stress-induced martensite formation during nanoindentation in NiTi shape memory alloys Acta Materialia 68 19-31 (2014) abstract
J. Amodeo, C. Begau, E. Bitzek, Atomistic simulations of compression tests on Ni3Al nanocubes Materials Research Letters 2 140-145 (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
G. Wilde, Early stages of crystal formation in glass-forming metallic alloys Glass – selected properties and crystallization DE GRUYTER, BERLIN 95-135 (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
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
J. Drain, R. Drautz, D. G. Pettifor, Magnetic analytic bond-order potential for modeling the different phases of Mn at zero Kelvin Physical Review B 89 134102 (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
R. Nazarov, T. Hickel, J. Neugebauer, Ab initio study of H-vacancy interactions in fcc metals: implications for the formation of superabundant vacancies Physical Review B 89 144108 (2014) abstract
M. Čák, T. Hammerschmidt, J. Rogal, et al. Analytic bond-order potentials for the bcc refractory metals Nb, Ta, Mo and W Journal of Physics: Condensed Matter 26 195501 (2014) abstract
Y.P. Mitrofanov, M. Peterlechner, S. V. Divinski, et al. Impact of plastic deformation and shear band formation on the boson heat capacity peak of a bulk metallic glass Physical Review Letters 112 135901 (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. Drautz, I. Steinbach, Applications of scale-bridging to computational materials design Modelling and Simulation in Materials Science and Engineering 22 030201 (2014) abstract
T. Katiyar, Phase-field study of mechanically driven grain growth Master Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
S. Roy, S. V. Divinski, A. Paul, Reactive diffusion in the Ti-Si system and the significance of the parabolic growth constant Philosophical Magazine 94 683-699 (2014) abstract
T. Wang, G. Madsen, A. Hartmaier, Atomistic study of the influence of lattice defects on the thermal conductivity of silicon Modelling and Simulation in Materials Science and Engineering 22 035011 (2014) 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
S. V. Divinski, G. Reglitz, M. Peterlechner, et al. Effect of pinning by an orientation gradient on the thermal stability of ultrafine grained Ni produced by equal channel angular pressing Journal of Applied Physics 115 113503 (2014) abstract
J. Bokeloh, G. Wilde, R. E. Rozas, et al. Nucleation barriers for the liquid-to-crystal transition in simple metals: experiment vs. simulation European Physical Journal Special Topics 223 511-526 (2014) abstract
A. Glensk, B. Grabowski, T. Hickel, et al. Breakdown of the Arrhenius Law in describing vacancy formation energies: the importance of local anharmonicity revealed by ab initio thermodynamics Physical Review X 4 011018 (2014) abstract
J. Zhang, R. Rynko, J. Frenzel, et al. Ingot metallurgy and microstructural characterization of Ti–Ta alloys International Journal of Materials Research 105 156-167 (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
Y. Zhou, Z. Yang, T. Wang, et al. Crack propagation behaviours at Cu/SiC interface by molecular dynamics simulation Computational Materials Science 82 17-25 (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
J. Rogal, S. V. Divinski, M. Finnis, et al. Perspectives on point defect thermodynamics Physica Status Solidi B 251 97-129 (2014) abstract
P. S. Engels, C. Begau, S. Gupta, et al. Multiscale modelling of nanoindentation: from atomistic to continuum models Nanomechanical analysis of high performance materials SPRINGER SCIENCE + BUSINESS MEDIA, DORDRECHT 203 285-322 (2014) abstract
A. M. Tahir, Development and validation of a scale-bridging method for simulation of intergranular fracture in body-centered cubic metals PhD Thesis Ruhr-Universität Bochum 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
R. Stern, F. Effenberger, H. Fichtner, et al. The space-fractional diffusion-advection equation: analytical solutions and critical assessment of numerical solutions Fractional Calculus and Applied Analysis 17 171-190 (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
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
L. Bjerg, B. B. Iversen, G. Madsen, Modeling the thermal conductivity of the zinc antimonides ZnSb and Zn4Sb3 Physical Review B 89 024304 (2014) abstract
C. Begau, A. Hartmaier, Microstructural characterization of shape memory alloys on the atomic scale TMS 2014 Supplemental Proceedings 247-256 (2014) 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
A. S. Makarov, V. A. Khonik, G. Wilde, et al. "Defect"-induced heat flow and shear modulus relaxation in a metallic glass Intermetallics 44 106-109 (2014) abstract
A. Ma, A. Hartmaier, On the influence of isotropic and kinematic hardening caused by strain gradients on the deformation behaviour of polycrystals Philosophical Magazine 94 125-140 (2014) abstract
J. Pfetzing-Micklich, N. Wieczorek, T. Simon, et al. Direct microstructural evidence for the stress induced formation of martensite during nanoindentation of NiTi Materials Science and Engineering A - Structural Material Properties 591 33-37 (2014) abstract
J. Heyer, S. Brinckmann, J. Pfetzing-Micklich, et al. Microshear deformation of gold single crystals Acta Materialia 62 225-238 (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
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
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