Just another WordPress site - Ruhr-Universität Bochum
2011
- X. Pang, Z.Q. Liu, S.Q. Wang et al. Effects of Bi segregation on the tensile properties of Cu/Cu3Sn(100) interface. Microelectronics Reliability, 51, 2330-5, (2011)
- R. Hameed. Fitting of plasticity parameters based on indentatiotion results. Master thesis, (2011)
- C. Dai, H.H. Xu, S.Q. Wang et al. Interdiffusivities and atomic mobilities in fcc Cu–Al–Fe alloys. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 35, 556–561, (2011)
- B. Grabowski, P. Söderlind, T. Hickel et al. Temperature-driven phase transitions from first principles including all relevant excitations: the fcc-to-bcc transition in Ca. Physical Review B, 84, 214107, (2011)
- Y. Peng, Y. Du, L. Zhang et al. Thermodynamic modeling of the C–RE (RE = La, Ce and Pr) systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 35, 533–541, (2011)
- R. Drautz, D. Pettifor. Valence-dependent analytic bond-order potential for magnetic transition metals. Physical Review B, 84, 214114, (2011)
- M. Siewert, M. Gruner, A. Dannenberg et al. Designing shape-memory Heusler alloys from first-principles. Applied Physics Letters, 99, 191904, (2011)
- U. Preiss, W. Beichel, A. M. T. Erle et al. Is universal, simple melting point prediction possible?. ChemPhysChem, 12, 2959–2972, (2011)
- R. Margine, A. Kolmogorov, M. Reese et al. Development of orthogonal tight-binding models for Ti-C and Ti-N systems. Physical Review B, 84, 155120, (2011)
- Y. Du, L. Ismer, J. Rogal et al. First-principles study on the interaction of H interstitials with grain boundaries in α- and γ-Fe. Physical Review B, 84, 144121, (2011)
- M. Friák, T. Hickel, B. Grabowski et al. Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physical Journal Plus, 126, 101, (2011)
- S. Brinckmann, R. Sivanesapillai, A. Hartmaier. On the formation of vacancies by edge dislocation dipole annihilation in fatigued copper. International Journal of Fatigue, 33, 1369-1375, (2011)
- A. Dick, F. Körmann, T. Hickel et al. Ab initio based determination of thermodynamic properties of cementite including vibronic, magnetic and electronic excitations. Physical Review B, 84, 125101, (2011)
- Y. Liu, L. Zhang, Y. Du et al. Atomic mobilities, zero-flux planes and flux reversals in fcc Cu–Fe–Ni alloys. International Journal of Materials Research, 35, 376-383, (2011)
- Y. Du, T. J. Lenosky, R. G. Hennig et al. Energy landscape of silicon tetra-interstitials using an optimized classical potential. Physica Status Solidi B, 248, 2050–2055, (2011)
- A. Monas. Funktionsweise und Einflüsse auf die mobile Ultrasonic Contact Impedance (UCI)-Härteprüfung. Prakt. Met. Sonderband, 43, 91-96, (2011)
- J. Lian, N. Vajragupta, S. Münstermann et al. On application of a damage plasticity model to sheet metal forming of DP steel. Steel Research International Special Edition: 10th International Conference on Technology of Plasticity, Aachen, 901-906, (2011)
- N. A. W. Holzwarth, N. D. Lepley, Y. Du. Computer modeling of lithium phosphate and thiophosphate electrolyte materials. Journal of Power Sources, 196, 6870-6876, (2011)
- N. Moradi, F. Varnik, I. Steinbach. Contact angle dependence of the velocity of sliding cylindrical drop on flat substrates. Europhysics Letters, 95, 44003, (2011)
- L. Bjerg, G. Madsen, B. Iversen. Enhanced thermoelectric properties in zinc antimonides. Chemistry of Materials, 23, 3907-3914, (2011)
- J. von Pezold, L. Lymperakis, J. Neugebauer. Hydrogen-enhanced local plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia, 59, 2969-2980, (2011)
- H. Zheng, D. Wu, S. Xue et al. Martensitic transformation in rapidly solidified Heusler Ni49Mn39Sn12 ribbons. Acta Materialia, 59, 5692-5699, (2011)
- L. Ferrighi, G. Madsen, B. Hammer. Self-consistent meta-generalized gradient approximation study of adsorption of aromatic molecules on noble metal surfaces. Journal of Chemical Physics, 135, 084704, (2011)
- I. Lopez-Galilea, S. Huth, S. 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)
- E. McEniry, G. Madsen, J. Drain et al. Tight-binding simulation of transition-metal alloys. Journal of Physics: Condensed Matter, 23, 276004, (2011)
- D. Psiachos, T. Hammerschmidt, R. Drautz. Ab initio study of the modification of elastic properties of alpha-iron by hydrostatic strain and by hydrogen interstitials. Acta Materialia, 59, 4255-4263, (2011)
- S. Cui, W. Zhang, L. Zhang et al. Assessment of atomic mobilities in fcc Cu-Ni-Zn alloys. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 35, 231-241, (2011)
- B. Grabowski, T. Hickel, J. Neugebauer. Formation energies of point defects at finite temperatures. Physica Status Solidi B, 248, 1295–1308, (2011)
- T. Hammerschmidt, G. Madsen, J. Rogal et al. From electrons to materials. Physica Status Solidi B - Basic Solid State Physics, 248, 2213, (2011)
- D. Peter, F. Otto, T. Depka et al. High temperature test rig for inert atmosphere miniature specimen creep testing. Materialwissenschaft und Werkstofftechnik, 42, 493-499, (2011)
- M. Lodes, A. Hartmaier, M. Göken et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF(2) single crystals: Experiments and molecular dynamics simulations. Acta Materialia, 59, 4264-4273, (2011)
- M. A. Lodes, A. Hartmaier, M. Göken et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations. Acta Materialia, 59, 4264-4273, (2011)
- N. Ahmed, A. Hartmaier. Mechanisms of grain boundary softening and strain-rate sensitivity in deformation of ultrafine-grained metals at high temperatures. Acta Materialia, 59, 4323-4334, (2011)
- M. Gross, R. Adhikari, M. 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)
- 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)
- Y. Schneider, E. Soppa, C. Kohler et al. Numerical and experimental investigations of the global and local behaviour of an Al(6061)/Al2O3 metal matrix composite under low cycle fatigue. Procedia Engineering, 10, 1515–1520, (2011)
- T. Krüger, F. Varnik, D. Raabe. Particle stress in suspensions of soft objects. Philosophical Transactions of The Royal Society A, 13, 2414-2421, (2011)
- W. Gong, L. Zhang, H. Wei et al. Phase equilibria, diffusion growth and diffusivities in Ni-Al-Pt system using Pt/β-NiAl diffusion couples. Progress in Natural Science: Materials International, 21, 221-226, (2011)
- 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)
- 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)
- T. Gebhardt, D. Music, M. Ekholm et al. The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe–Mn random alloys. Journal of Physics: Condensed Matter, 23, 246003, (2011)
- B. Seiser, T. Hammerschmidt, A. Kolmogorov et al. Theory of structural trends within 4d and 5d transition metal topologically close-packed phases. Physical Review B, 83, 224116, (2011)
- K. A. Fichthorn, Y. Tiwary, T. Hammerschmidt et al. Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties. Physical Review B, 83, 195328, (2011)
- W. Song, U. Prahl, W. Bleck. Atomic analysis on bainitic reaction in high-carbon steel 100Cr6. 8th International Symposium on Atomic Level Characterization for New Materials and Devices’11 (ALC’11), 84-86, (2011)
- W. Song, U. Prahl, W. Bleck. Atomic scale observation on second phase precipitation in bainite reaction in high carbon steel 100Cr6. 26. Aachener Stahlkolloquium 2011, 29-35, (2011)
- A. Abbasi, A. Dick, T. Hickel et al. First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia, 59, 3041-3048, (2011)
- 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)
- P. Kucharczyk, M. Sharaf, S. Münstermann. Influence of microstructure on fatigue crack growth in structural steel. 26. Aachener Stahlkolloquium 2011, (2011)
- 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)
- 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)
- J. Lian, N. Vajragupta, S. Münstermann. Multiscale modeling of cold formability of DP steel using XFEM and the modified Mohr-Coulomb criterion. Proceeding, 26. Aachener Stahlkolloquium, Aachen, Germany, (2011)
- 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)
- G. Madsen, E. McEniry, R. Drautz. Optimized orthogonal tight-binding basis: Application to iron. Physical Review B, 83, 184119, (2011)
- A. Udyansky, J. von Pezold, A. Dick et al. Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B, 83, 184112, (2011)
- 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)
- 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)
- M. Palumbo, T. Abe, S. 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)
- F. Otto, J. Frenzel, G. Eggeler. On the evolution of microstructure in oxygen-free high conductivity copper during thermo-mechanical processing using rotary swaging. International Journal of Materials Research, 102, 363-370, (2011)
- 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)
- W. Song, U. Prahl, W. Bleck et al. Phase-field simulations of baintic phase transformation in 100Cr6. TMS 2011 - 140th Annual Meeting and Exhibition, 417-425, (2011)
- F. Körmann, A. Dick, T. Hickel et al. Role of spin quantization in determining the thermodynamic properties of magnetic transition metals. Physical Review B, 83, 165114, (2011)
- M. Gross, M. 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)
- J. Pfetzing-Micklich, S. Brinckmann, S.J. Dey et al. Micro-shear deformation of pure copper. Materialwissenschaft und Werkstofftechnik, 42, 219-223, (2011)
- F. Otto, J. Frenzel, G. Eggeler. On the influence of small quantities of Bi and Sb on the evolution of microstructure during swaging and heat treatments in copper. Journal of Alloys and Compounds, 509, 4073-4080, (2011)
- M. Prechtel, P. Leiva-Ronda, R. Janisch et al. Simulation of fracture in heterogeneous elastic materials with cohesive zone models. International Journal of Fracture, 168, 15-29, (2011)
- O. Dezellus, R. Arroyave, S. Fries. Thermodynamic modelling of the Ag-Cu-Ti ternary system. International Journal of Materials Research, 03, 286-294, (2011)
- 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)
- C. Begau, A. Hartmaier, E.P. George et al. Atomistic processes of dislocation generation and plastic deformation during nanoindentation. Acta Materialia, 59, 934-942, (2011)
- B. Eidel. Crystal plasticity finite-element analysis versus experimental results of pyramidal indentation into (001) fcc single crystal. Acta Materialia, 59, 1761-1771, (2011)
- M. Friák, T. Hickel, F. Körmann et al. Determining the elasticity of materials employing quantum-mechanical approaches: from the electronic ground state to the limits of materials stability. Steel Research International, 82, 86-100, (2011)
- A. Bialon, T. Hammerschmidt, R. Drautz et al. Possible routes for synthesis of new boron-rich Fe-B and Fe1-xCrxB4 compounds. Applied Physics Letters, 98, 081901-(1-3), (2011)
- J. Zhao, Y. Du, L. Zhang et al. Thermodynamic assessment of the Sn-Sr system supported by first-principles calculations. Thermochimica Acta, 529, 74-79, (2011)
- T. Böhme, T. Hammerschmidt, R. Drautz et al. Closing the gap between nano- and macroscale: Atomic interactions vs. macroscopic materials behavior. Thermodynamics - Kinetics of Dynamic Systems, 129-164, (2011)
- P. Wang, J. Zhao, Y. Du et al. Experimental investigation and thermodynamic calcualtion of the Fe-Mg-Mn and Fe-Mg-Ni systems. International Journal of Materials Research, 102, 6-16, (2011)
- S. Ayodele, F. Varnik, D. Raabe. Lattice Boltzmann study of pattern formation in reaction-diffusion systems. Physical Review E, 83, 14, (2011)
- M. Pouya. Lattice-Boltzmann simulation of Gray-Scott model with inhomogeneous reaction rates: Towards applications in vegetation pattern formation. Master Thesis, Ruhr-University Bochum, (2011)
- R. Schultz. Mesoscale-modelling of pine tree nanowires. Master Thesis, Ruhr-University Bochum, 1-92, (2011)
- M. Gross, N. Moradi, G. Zikos et al. Shear stress in nonideal fluid lattice Boltzmann simulations. Physical Review E, 83, 17701, (2011)
- E. Hristova, R. Janisch, R. Drautz et al. Solubility of carbon in α-iron under volumetric strain and close to the Σ5(310)[001] grain boundary: Comparison of DFT and empirical potential methods. Computational Materials Science, 50, 1088-1096, (2011)
- X. Pang, Z.Q. Liu, S.Q. Wang et al. First-principles calculations of doped elements on electromigration of Bi. The Chinese Journal of Nonferrous Metals, 21, 875, (2011)
- I. Steinbach, M. Plapp. Pearlite revisited. Continuum Mechanics and Thermodynamics, 1, 0935-1175, (2011)
- B. Seiser, R. Drautz, D. Pettifor. TCP phase predictions in Ni-based superalloys: Structure maps revisited. Acta Materialia, 59, 749-763, (2011)