Publications

Publications

Poster (11)

  1. 101.
    Poster
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Advances in oxide materials: Preparation, properties, performance, University of California, Santa Barbara, CA, USA (2014)
  2. 102.
    Poster
    Grabowski, B.; Korbmacher, D.; Glensk, A.; Duff, A.; Hickel, T.; Neugebauer, J.: Ab initio description of dynamically unstable systems from zero Kelvin up to the melting point. CALPHAD 2014, Changsha, China (2014)
  3. 103.
    Poster
    Koprek, A.; Cojocaru-Mirédin, O.; Freysoldt, C.; Würz, R.; Raabe, D.: Atomic scale investigation of the p-n Junction in CIGS based solar cells: correlation between cell efficiency and impurities. E-MRS 2014, Lille, France (2014)
  4. 104.
    Poster
    Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab-initio based study of kappa-carbides in Fe-based alloys. Asia Sweden meeting on understanding functional materials from lattice dynamics (ASMFLD) conference, Indian Institute of technology Guwahati, Guwahati, India (2014)
  5. 105.
    Poster
    Dey, P.; Nazarov, R.; Dutta, B.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of magnetism in Fe–Mn–Al–C kappa-carbide precipitates in steels. ADIS Workshop , Ringberg, Germany (2014)
  6. 106.
    Poster
    Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab-initio understanding of interaction of kappa-carbide with hydrogen in steels. ICAMS Science Days , Bochum, Germany (2014)
  7. 107.
    Poster
    Dutta, B.; Hickel, T.; Neugebauer, J.: Intra-martensitic transitions in Ni–Mn–Ga magnetic shape memory alloys: First-principles study. International Conference on Martensitic Transformations 2014 (ICOMAT 2014), Bilbao, Spain (2014)
  8. 108.
    Poster
    Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: Lattice dynamics in systems with magnetic disorder: Role of fluctuations investigated with the itinerant coherent potential approximation. ADIS 2014, Ringberg, Germany (2014)
  9. 109.
    Poster
    Dutta, B.; Hickel, T.; Neugebauer, J.: Intra-martensitic transitions in Ni–Mn–Ga magnetic shape memory alloys: A first-principles study. ADIS 2014, Ringberg, Germany (2014)
  10. 110.
    Poster
    Lai, M.; Tasan, C. C.; Zhang, J.; Grabowski, B.; Huang, L.; Springer, H.; Raabe, D.: ω phase accommodated nano-twinning mechanism in Gum Metal: An ab initio study. 3rd International Workshop on Physics Based Material Models and Experimental Observations: Plasticity and Creep, Cesme/Izmir, Turkey (2014)

Teaching (4)

  1. 111.
    Teaching
    Hickel, T.: Introduction to Quantum Mechanics in Solid-State Physics. Lecture: Masterstudiengang „Materials Science and Simulation“, WS 2014/2015, Ruhr-Universität Bochum, Bochum, Germany, October 01, 2014 - March 31, 2015
  2. 112.
    Teaching
    Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: Ruhr-Universität Bochum, SS 2014, Bochum, Germany, April 01, 2014 - September 30, 2014
  3. 113.
    Teaching
    Spatschek, R. P.: Thermodynamics & Statistical Physics. Lecture: WS 2013/2014, Ruhr University Bochum, Bochum, Germany, October 01, 2013 - March 30, 2014
  4. 114.
    Teaching
    Zaefferer, S.; Hickel, T.; Prahl, U.: Microstructures, Microscopy & Modelling. Lecture: Masterstudiengang, SS 2014, RWTH Aachen, Aachen, Germany, April 01, 2014 - September 30, 2014

Thesis - PhD (1)

  1. 115.
    Thesis - PhD
    Nematollahi, G. A.: Multiscale description of super-saturated ferrite in severely deformed pearlitic wires. Dissertation, Ruhr-Universität Bochum, Bochum, Germany (2014)

Thesis - Master (1)

  1. 116.
    Thesis - Master
    Sözen, H. I.: Ab initio investigations on the energetics and kinetics of defects in Fe–Al alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2014)

Editorial (1)

  1. 117.
    Editorial
    Hickel, T.; Kattner, U. R.; Fries, S. G.: Computational Thermodynamics: Recent developments and future potential and prospects. Physica Status Solidi B 251 (1), pp. 9 - 13 (2014)
 
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