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2014
N. Gunda. Coarse grained lattice dynamics using compressive sensing. Master Thesis, Ruhr-Universität Bochum, (2014)
A. Breidi, M. Andasmas, J. Crivello et al. Experimental and computed phase diagrams of the Fe-Re system. Journal of Physics: Condensed Matter, 26, 485402, (2014)
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)
F. Farahpour, M. Ejtehadi, F. Varnik. Polyelectrolytes polarization in nonuniform electric fields. International Journal of Modern Physics C, 25, 1 - 9, (2014)
S. Schuwalow, J. Rogal, R. Drautz. Vacancy mobility and interaction with transition metal solutes in Ni. Journal of Physics: Condensed Matter, 26, 485014, (2014)
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)
M. Kanani, A. Hartmaier, R. Janisch. Interface properties in lamellar TiAl microstructures from density functional theory. Intermetallics, 54, 154-163, (2014)
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)
A. Zendegani. Modelling the morphological instability of the oxidation front in binary alloys by phase-field. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
T. Schablitzki. Atomistic study of kinetic processes of solid-state phase transformation in FeCr with topological fingerprints. PhD Thesis, Ruhr-Universität Bochum, (2014)
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)
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)
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)
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)
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)
H. Sözen. Ab initio investigation on the energetics and kinetics of defects in Fe-Al alloys. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
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)
M. Wegner, J. Leuthold, M. Peterlechner et al. Grain boundary and triple junction diffusion in nanocrystalline copper. Journal of Applied Physics, 116, 093514, (2014)
G. Wilde. Physical metallurgy of nanocrystalline metals. Physical Metallurgy, 2707-2805, (2014)
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)
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)
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)
L. Govinda Sharma. Effect of martensite fraction on cooling rate and grain size. Master Thesis, Ruhr-Universität Bochum, (2014)
J. Bokeloh, G. Wilde. High-precision nucleation rate measurements for higher-melting metals. Journal of Metals, 66, 1512-1519, (2014)
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)
N. Alemayehu. Intercalation kinetics of battery- and related materials. PhD Thesis, Ruhr-Universität Bochum, (2014)
M. Ilyas. Lagrangian dynamics simulation of cubic to tetragonal martensitic phase transformations. Master Thesis, Ruhr-Universität Bochum, (2014)
M. Rajendran, O. Shchyglo, I. Steinbach. Large scale 3-D phase-field simulation of coarsening in Ni-base superalloys. MATEC Web of Conferences: EUROSUPERALLOYS 2014 – 2^nd European Symposium on Superalloys and their Applications, 14, 11001, (2014)
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)
A. Paul, T. Laurila, V. Vuorinen et al. . Thermodynamics, diffusion and the Kirkendall effect in solids, (2014)
H. Sözen. Ab initio investigations on the energetics and kinetics of defects in Fe-Al Alloys. Master Thesis, Ruhr-Universität Bochum, (2014)
V. Yardley, E. Payton. Austenite-martensite/bainite orientation relationship: characterisation parameters and their application. Materials Science and Technology, 30, 1125-1130, (2014)
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)
A. 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)
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)
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)
S. Mandal, S. Lang, M. Gross et al. Multiple reentrant glass transitions in confined hard-sphere glasses. Nature Communications, 5, 4435, (2014)
S. Urazhdin, V. E. Demidov, H. Ulrichs et al. Nanomagnonic devices based on the spin transfer torque. Nature Nanotechnology, 9, 509-513, (2014)
Y. Zhang, C. Simon, T. Volkmann et al. Nucleation transitions in an undercooled Cu₇₀Co₃₀ immiscible alloy. Applied Physics Letters, 105, 041908, (2014)
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)
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)
M. Palumbo, S. Fries, A. Dal Corso et al. Reliability evaluation of thermophysical properties from first-principles calculations. Journal of Physics: Condensed Matter, 26, 335401, (2014)
M. Ghasemi, B. Sundman, S. Fries et al. The thermodynamic assessment of the Au-In-Ga system. Journal of Alloys and Compounds, 600, 178–185, (2014)
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)
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)
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)
B. Reinholz. Discrete disclination dynamics: microstructure evolution in Ni-Mn-Ga shape-memory alloys. PhD Thesis, Ruhr-Universität Bochum, (2014)
S. Roy, S. Prasad, S. 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)
D. Prokoshkina, L. Klinger, A. Moros et al. Effect of recrystallization on diffusion in ultrafine-grained Ni. Acta Materialia, 69, 314-325, (2014)
Y. Zhang, Z. Wu, M. Wang et al. Effect of undercooling on particle size distribution in phase separated Cu₇₅Co_25-xM_x (M = Ni, Fe) alloys with low M content. Journal of Alloys and Compounds, 596, 55-57, (2014)
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)
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)
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)
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)
M. Palumbo, S. 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)
R. Drautz, I. Steinbach. Applications of scale-bridging to computational materials design. Modelling and Simulation in Materials Science and Engineering, 22, 030201, (2014)
J. Amodeo, C. Begau, E. Bitzek. Atomistic simulations of compression tests on Ni₃Al nanocubes. Materials Research Letters, 2, 140-145, (2014)
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)
F. Varnik, S. Mandal, V. Chikkadi et al. Correlations of plasticity in sheared glasses. Physical Review E, 89, 1 - 6, (2014)
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)
G. Wilde. Early stages of crystal formation in glass-forming metallic alloys. Glass – selected properties and crystallization, 95-135, (2014)
Y.P. Mitrofanov, M. Peterlechner, S. 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)
E. Borukhovich, P. Engels, T. Böhlke et al. Large strain elasto-plasticity for diffuse interface models. Modelling and Simulation in Materials Science and Engineering, 22, 034008, (2014)
J. Bünz, T. Brink, K. Tsuchija et al. Low temperature heat capacity of a severely deformed metallic glass. Physical Review Letters, 112, 135501, (2014)
J. Drain, R. Drautz, D. Pettifor. Magnetic analytic bond-order potential for modeling the different phases of Mn at zero Kelvin. Physical Review B, 89, 134102, (2014)
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)
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)
N. Hatcher, G. Madsen, R. Drautz. Parameterized electronic description of carbon cohesion in iron grain boundaries. Journal of Physics: Condensed Matter, 26, 145502, (2014)
H. Kim, S. 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)
F. Falsafi. Thermophysical properties of Ti and Ni-Ti alloys: first-principle calculations compared to evaluated emperimental results. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
S. 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)
T. Katiyar. Phase-field study of mechanically driven grain growth. Master Thesis, Ruhr-Universität Bochum, (2014)
S. Roy, S. Divinski, A. Paul. Reactive diffusion in the Ti-Si system and the significance of the parabolic growth constant. Philosophical Magazine, 94, 683-699, (2014)
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)
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)
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)
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)
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)
M. Addis. Lattice Boltzmann studies of non-Newtonian fluids. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
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)
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)
T. Hickel, U. Kattner, S. Fries. Computational thermodynamics: recent developments and future potential and prospects. Physica Status Solidi B, 251, 9-13, (2014)
A. Tahir. Development and validation of a scale-bridging method for simulation of intergranular fracture in body-centered cubic metals. PhD Thesis, Ruhr-Universität Bochum, (2014)
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)
M. Palumbo, S. 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)
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)
F. Körmann, A. Breidi, S. Dudarev et al. Lambda transitions in materials science: recent advances in CALPHAD and first-principles modelling. Physica Status Solidi B, 251, 53-80, (2014)
J. 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, (2014)
J. Heyer, S. Brinckmann, J. Pfetzing-Micklich et al. Microshear deformation of gold single crystals. Acta Materialia, 62, 225-238, (2014)
C. Begau, A. Hartmaier. Microstructural characterization of shape memory alloys on the atomic scale. TMS 2014 Supplemental Proceedings, 247-256, (2014)
L. Bjerg, B. B. Iversen, G. Madsen. Modeling the thermal conductivity of the zinc antimonides ZnSb and Zn₄Sb₃. Physical Review B, 89, 024304, (2014)
P. Engels, C. Begau, S. Gupta et al. Multiscale modelling of nanoindentation: from atomistic to continuum models. Nanomechanical analysis of high performance materials, 203, 285-322, (2014)
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)
J. Rogal, S. V. Divinski, M. Finnis et al. Perspectives on point defect thermodynamics. Physica Status Solidi B, 251, 97-129, (2014)
W. Arif. Superalloy single crystal creep deformation modelling by crystal plasticity finite element method. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
M. Palumbo, B. Burton, A. Costa e Silva et al. Thermodynamic modelling of crystalline unary phases. Physica Status Solidi B, 251, 14-32, (2014)

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