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2014
- N. Gunda. Coarse grained lattice dynamics using compressive sensing. Master Thesis, Ruhr-Universität Bochum, (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)
- T. Schablitzki. Atomistic study of kinetic processes of solid-state phase transformation in FeCr with topological fingerprints. PhD Thesis, Ruhr-Universität Bochum, (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)
- 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)
- 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. 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)
- 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)
- R. Drautz, I. Steinbach. Applications of scale-bridging to computational materials design. Modelling and Simulation in Materials Science and Engineering, 22, 030201, (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)
- 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)
- 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)
- N. Hatcher, G. Madsen, R. Drautz. Parameterized electronic description of carbon cohesion in iron grain boundaries. Journal of Physics: Condensed Matter, 26, 145502, (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)
- 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)
- 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)
- L. Bjerg, B. B. Iversen, G. Madsen. Modeling the thermal conductivity of the zinc antimonides ZnSb and Zn4Sb3. Physical Review B, 89, 024304, (2014)
- J. Rogal, S. V. Divinski, M. Finnis et al. Perspectives on point defect thermodynamics. Physica Status Solidi B, 251, 97-129, (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)