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2015
- L. Poggenpohl. Entwicklung eines mechanischen Ersatzmodells zur Beschreibung gesinterter Keramiken. Master Thesis, Ruhr-Universität Bochum, (2015)
- J. Görler, S. Brinckmann, O. Shchyglo et al. Gamma-channel stabilization mechanism in Ni-base superalloys. Philosophical Magazine Letters, 95, 519-525, (2015)
- D. Novokshanov, B. Döbereiner, M. Sharaf et al. A new model for upper shelf impact toughness assessment with a computationally efficient parameter identification algorithm. Engineering Fracture Mechanics, 148, 281-303, (2015)
- D. C. Ma, B. Grabowski, F. Körmann et al. Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. Acta Materialia, 100, 90-97, (2015)
- 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, (2015)
- C. P. Race, R. Hadian, J. von Pezold et al. Mechanisms and kinetics of the migration of grain boundaries containing extended defects. Physical Review B, 92, 174115, (2015)
- D. Yan. Micromechanically guided design of graded ultra-fine-grained dual-phase steel. PhD Thesis, Ruhr-Universität Bochum, (2015)
- 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)
- X. Zhang. Structural transformations in Fe-C alloys: From atomistic simulations to a microscopic understanding. PhD Thesis, Ruhr-Universität Bochum, (2015)
- D. Ma, M. Friák, J. von Pezold et al. Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stress. Acta Materialia, 98, 367-376, (2015)
- S. Kenmoe. Ab initio study of the low-index non-polar zinc oxide surfaces in contact with water: From single molecules to multilayers. PhD Thesis, Ruhr-Universität Bochum, (2015)
- M. Kanani. Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys. PhD Thesis, Ruhr-Universität Bochum, (2015)
- W. S. Ko, B. Grabowski, J. Neugebauer. Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition. Physical Review B, 92, 134107, (2015)
- M. Boeff, F. Gutknecht, P. Engels et al. Formulation of nonlocal damage models based on spectral methods for application to complex microstructures. Engineering Fracture Mechanics, 147, 373-387, (2015)
- 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)
- M. Naderi, M. Peterlechner, E. Schafler et al. Kinetic, volumetric and structural effects induced by liquid Ga penetration into ultrafine grained Al. Acta Materialia, 99, 196-205, (2015)
- E. Borukhovich, P. Engels, J. Mosler et al. Large deformation framework for phase-field simulations at the mesoscale. Computational Materials Science, 108, 367-373, (2015)
- T. Wang, C. Begau, G. Sutmann et al. Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper. Surface and Coatings Technology, 280, 72-80, (2015)
- B. Dongre. The effect of a vacancy on the thermal conductivity of Stillinger-Weber silicon. Master Thesis, Ruhr-Universität Bochum, (2015)
- A. Gießmann. The influence of stress enhanced diffusion on the growth of pearlite in eutectoid plain carbon steel. PhD Thesis, Ruhr-Universität Bochum, (2015)
- R. Drautz, T. Hammerschmidt, M. Čák et al. Bond-order potentials: Derivation and parameterization for refractory elements. Modelling and Simulation in Materials Science and Engineering, 23, 074004, (2015)
- P. Vasconcelos, 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)
- L.-F. Huang, B. Grabowski, E. McEniry et al. Importance of coordination number and bond length in titanium revealed by electronic structure investigations. Physica Status Solidi B, 252, 1907-1924, (2015)
- M. Golam. Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates. Master Thesis, Ruhr-Universität Bochum, (2015)
- H. Shabbir. Multi scale simulations: Interaction between γ' precipitate and interfacial dislocation in nickel base superalloys. Master Thesis, Ruhr-Universität Bochum, (2015)
- S. Gao, M. 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)
- J. Koßmann, T. Hammerschmidt, S. Maisel et al. Solubility and ordering of Ti, Ta, Mo and W on the Al sublattice in L12-Co3Al. Intermetallics, 64, 44-50, (2015)
- 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)
- N. Winkler, M. Peterlechner, G. Wilde. Controlling crystallization, phase transformation and magnetic properties of amorphous FeNiP by annealing in nano-confinement. Journal of Materials Chemistry C, 3, 7543-7551, (2015)
- 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, (2015)
- A. Monas, O. Shchyglo, S. Kim et al. Divorced eutectic solidification of Mg-Al alloys. JOM, 67, 1805-1811, (2015)
- S. Bhattacharya, G. Madsen. High-throughput exploration of alloying as design strategy for thermoelectrics. Physical Review B, 92, 085205, (2015)
- , I. Steinbach, F. Varnik. Modeling the flow in diffuse interface methods of solidification. Physical Review E, 92, 023303, (2015)
- B. Wu, Y. Yan, S. Münstermann. Modelling of chip breakage in machining process with damage mechanics model. Applied Mechanics and Materials, 784, 411-418, (2015)
- A. Kothapalli. RVE based characterization and homogenization of elasto plastic properties for woven thermoplastic composite materials. Master Thesis, Ruhr-Universität Bochum, (2015)
- M. Q. Jiang, G. Wilde, F. Jiang et al. Understanding ductile-to-brittle transition of metallic glasses from shear-transformation-zone dilatation. Theoretical and Applied Mechanics Letters, 5, 200-204, (2015)
- S. Ramesh Babu. Additive manufacturing of nickel-base superalloys: A phase-field study. Master Thesis, Ruhr-Universität Bochum, (2015)
- 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)
- S. Divinski. Grain boundary diffusion in severe plastically deformed metals: State of the art and unresolved issues. Diffusion Foundations, 5, 57-73, (2015)
- E. Pinatel, M. Palumbo, F. Massimino et al. Hydrogen sorption in the LaNi5-xAlx-H system (0 ≤ x ≤ 1). Intermetallics, 62, 7-16, (2015)
- D. Weygand, M. Mrovec, T. Hochrainer et al. Multiscale simulation of plasticity in bcc metals. Annual Review of Materials Research, 45, 369-390, (2015)
- V. Schmidt, H. Rösner, M. Peterlechner et al. Quantitative measurement of density in a shear band of metallic glass monitored along its propagation direction. Physical Review Letters, 115, 035501, (2015)
- M. Heyn. Evolution of the grain boundary microstructure on tempering of a 2.25Cr1Mo steel. Master Thesis, Ruhr-Universität Bochum, (2015)
- D. Liu, M. Peterlechner, J. Fiebig et al. Grain boundary diffusion and precipitates in B2 Ti−50.2 at.% Ni alloy. Intermetallics, 61, 30-37, (2015)
- A. Kauws. Investigation of mechanical properties of martensite packets using inverse analysis. Master Thesis, Ruhr-Universität Bochum, (2015)
- J. Koßmann, C. H. Zenk, I. Lopez-Galilea et al. Microsegregation and precipitates of an as-cast Co-based superalloy - microstructural characterization and phase stability modelling. Journal of Materials Science, 50, 6329-6338, (2015)
- A. Katre. Modelling thermal transport in nanostructured materials. PhD Thesis, Ruhr-Universität Bochum, (2015)
- A. Gupta. Precipitation kinetics in binary alloys. Master Thesis, Ruhr-Universität Bochum, (2015)
- M. Shepelenko, L. Klinger, E. Rabkin et al. Recovery, recrystallization and diffusion in cold-rolled Ni. International Journal of Materials Research, 106, 554-564, (2015)
- N. Rivas. Sulfidation resistance of Ni-Cr alloys exposed to simulated coal power plant atmospheres. Master Thesis, Ruhr-Universität Bochum, (2015)
- R. Darvishi Kamachali, S. Kim, I. Steinbach. Texture evolution in deformed AZ31 magnesium sheets: Experiments and phase-field study. Computational Materials Science, 104, 193-199, (2015)
- J. Zhang, C. Begau, L. Geng et al. Atomistic investigation of wear mechanisms of a copper bi-crystal. Wear, 332-333, 941-948, (2015)
- T. Chakraborty, A. Hens, S. Kulashrestha et al. Calculation of diffusion coefficient of long chain molecules using molecular dynamics. Physica E, 69, 371-377, (2015)
- 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)
- B. Dutta, T. Hickel, J. Neugebauer et al. Interplay of strain and interdiffusion in Heusler alloy bilayers. Physica Status Solidi RRL, 9, 321-325, (2015)
- T. Wang. Large-scale molecular dynamics simulation of growth, microstructure and properties of thermal-sprayed coatings. PhD Thesis, Ruhr-Universität Bochum, (2015)
- T. Wang. Large-scale molecular dynamics simulation of growth, microstructure and properties of thermal-sprayed coatings. PhD Thesis, Ruhr-Universität Bochum, (2015)
- J. Buenz, K. A. Padmanabhan, G. Wilde. On the applicability of a mesoscopic interface sliding controlled model for understanding superplastic flow in bulk metallic glasses. Intermetallics, 60, 50-57, (2015)
- J. Frenzel, A. Wieczorek, I. Opahle et al. On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys. Acta Materialia, 90, 213-231, (2015)
- D. Prokoshkina, L. Klinger, A. Moros et al. Persistence of ultrafast atomic diffusion paths in recrystallizing ultrafine grained Ni. Scripta Materialia, 101, 91-94, (2015)
- B. Grabowski, A. Glensk, T. Hickel et al. Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au. Physical Review B, 91, 201103, (2015)
- Y.P. Mitrofanov, M. Peterlechner, I. Binkowski et al. The impact of elastic and plastic strain on relaxation and crystallization of Pd–Ni–P-based bulk metallic glasses. Acta Materialia, 90, 318-329, (2015)
- A. Glensk, B. Grabowski, T. Hickel et al. Understanding anharmonicity in the fcc materials: From its origin to ab initio strategies beyond the quasiharmonic approximation. Physical Review Letters, 114, 195901, (2015)
- A. Ladines. Influence of light elements on precipitates of complex phases in steel. PhD Thesis, Ruhr-Universität Bochum, (2015)
- S. Gupta, A. Ma, A. Hartmaier. Investigating the influence of crystal orientation on bending size effect of single crystal beams. Computational Materials Science, 101, 201-210, (2015)
- C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz et al. Parallel bond order potentials for materials science simulations. Proceedings of the 4th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, (2015)
- A. Ladines, T. Hammerschmidt, R. Drautz. Structural stability of Fe-based topologically close-packed phases. Intermetallics, 59, 59-67, (2015)
- A. Lange. Ti-Ta based high-temperature shape memory alloy thin films. Master Thesis, Ruhr-Universität Bochum, (2015)
- S. Bhattacharya, N. Gunda, R. Stern et al. Achieving optimum carrier concentrations in p-doped SnS thermoelectrics. Physical Chemistry Chemical Physics, 17, 9161-9166, (2015)
- C. Simon, M. Peterlechner, G. Wilde. Experimental determination of the nucleation rates of undercooled micron-sized liquid droplets based on fast chip calorimetry. Thermochimica Acta, 603, 39-45, (2015)
- L. Sharma. Implementation and comparison of different damage criteria in the framework of crystal plasticity. Master Thesis, Ruhr-Universität Bochum, (2015)
- S. Gao, M. Fivel, A. Ma et al. Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study. Journal of the Mechanics and Physics of Solids, 76, 276-290, (2015)
- A. Wengert. Initial stages of internal oxidation of iron base alloys in the temperature range of 600°C to 850°C. Master Thesis, Ruhr-Universität Bochum, (2015)
- T. Chakraborty, J. Rogal, R. Drautz. Martensitic transformation between competing phases in Ti-Ta alloys: A solid-state nudged elastic band study. Journal of Physics: Condensed Matter, 27, 115401, (2015)
- 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)
- W. Kochański, M. Boeff, Z. Hashemiyan et al. Modelling and numerical simulations of in-air reverberation images for fault detection in medical ultrasonic transducers: A feasibility study. Journal of Sensors, 2015, 796439, (2015)
- R. Chmielowski, D. Pere, C. Bera et al. Theoretical and experimental investigations of the thermoelectric properties of Bi2S3. Journal of Applied Physics, 117, 125103, (2015)
- U. Kaya. Development of simulation methods for characterization and modeling of tribological properties of thin metal sheets. Master Thesis, Ruhr-Universität Bochum, (2015)
- D. Belardinelli, M. Sbragaglia, L. Biferale et al. Fluctuating multicomponent lattice Boltzmann model. Physical Review E, 91, 023313, (2015)
- M. Gross, T. Krüger, F. Varnik. Fluctuations and diffusion in sheared athermal suspensions of deformable particles. Europhysics Letters, 108, 68006, (2015)
- 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)
- M. Ford, D. Pettifor, R. Drautz. Non-collinear magnetism with analytic bond-order potentials. Journal of Physics: Condensed Matter, 27, 086002, (2015)
- M. Q. Jiang, G. Wilde, L. H. Dai. Origin of stress overshoot in amorphous solids. Mechanics of Materials, 81, 72-83, (2015)
- J. Gehrmann, D. Pettifor, A. Kolmogorov et al. Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems. Physical Review B, 91, 054109, (2015)
- S. Ayodele, D. Raabe, F. Varnik. Shear-flow-controlled mode selection in a nonlinear autocatalytic medium. Physical Review E, 91, 022913, (2015)
- P. Nörtershäuser, J. Frenzel, A. Ludwig et al. The effect of cast microstructure and crystallography on rafting, dislocation plasticity and creep anisotropy of single crystal Ni-base superalloys. Materials Science and Engineering A, 626, 305-312, (2015)
- L. Morales-Rivas, V. Yardley, C. Capdevila et al. A procedure for indirect and automatic measurement of prior austenite grain size in bainite/martensite microstructures. Journal of Materials Science, 50, 258-267, (2015)
- A. Ma, A. Hartmaier. A study of deformation and phase transformation coupling for TRIP-assisted steels. International Journal of Plasticity, 64, 40-55, (2015)
- C. Begau, G. Sutmann. Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations. Computer Physics Communications, 190, 51-61, (2015)
- G. Reglitz, B. Oberdorfer, N. Fleischmann et al. Combined volumetric, energetic and microstructural defect analysis of ECAP-processed nickel. Acta Materialia, 103, 396-406, (2015)
- B. Sundman, M. Stratmann, L. Zhang et al. Computational thermodynamics and its applications in materials science. Materials China, 34, 15-29, (2015)
- S. Divinski, G. Reglitz, I. S. Golovin et al. Effect of heat treatment on diffusion, internal friction, microstructure and mechanical properties of ultra-fine-grained nickel severely deformed by equal-channel angular pressing. Acta Materialia, 82, 11-21, (2015)
- A. Katre, A. Togo, I. Tanaka et al. First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides. Journal of Applied Physics, 117, 045102, (2015)
- O. Güvenc, F. Roters, T. Hickel et al. ICME for crashworthiness of TWIP steels: From ab initio to the crash performance. JOM, 67, 120-128, (2015)
- P. Schwittek. Micromechanical and continuum modeling of hydrogen assisted steel degradation. PhD Thesis, Ruhr-Universität Bochum, (2015)
- S. Gupta. Micromechanical modeling of martensitic phase transformation in steels based on nonlocal crystal plasticity. PhD Thesis, Ruhr-Universität Bochum, (2015)
- P. Wollgramm, H. Buck, K. Neuking et al. On the role of Re in the stress and temperature dependence of creep of Ni-base single crystal superalloys. Materials Science and Engineering A, 628, 382-395, (2015)
- B. Sundman, U. Kattner, M. Palumbo et al. OpenCalphad - a free thermodynamic software. Integrating Materials and Manufacturing Innovation, 4, 1, (2015)
- A. Hariri. Phase transitions in high manganese steels: Simulation and experiment. Master Thesis, Ruhr-Universität Bochum, (2015)
- U. Unije. Simulation of transport processes through asymmetric gas separation membrane. Master Thesis, Ruhr-Universität Bochum, (2015)
- X. Zhang, T. Hickel, J. Rogal et al. Structural transformations among austenite, ferrite and cementite in Fe-C alloys: A unified theory based on ab initio simulations. Acta Materialia, 99, 281-289, (2015)