Veröffentlichungen

Poster (11)

1. 101.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
   MPG.PuRe
   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.
    MPG.PuRe
    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)

Lehrmaterial (4)

1. 111.
   MPG.PuRe
   Lehrmaterial

   Hickel, T.: Introduction to Quantum Mechanics in Solid-State Physics. Vorlesung: Masterstudiengang „Materials Science and Simulation“, WS 2014/2015, Ruhr-Universität Bochum, Bochum, Germany, 01. Oktober 2014 - 31. März 2015
2. 112.
   MPG.PuRe
   Lehrmaterial

   Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Vorlesung: Ruhr-Universität Bochum, SS 2014, Bochum, Germany, 01. April 2014 - 30. September 2014
3. 113.
   MPG.PuRe
   Lehrmaterial

   Spatschek, R. P.: Thermodynamics & Statistical Physics. Vorlesung: WS 2013/2014, Ruhr University Bochum, Bochum, Germany, 01. Oktober 2013 - 30. März 2014
4. 114.
   MPG.PuRe
   Lehrmaterial

   Zaefferer, S.; Hickel, T.; Prahl, U.: Microstructures, Microscopy & Modelling. Vorlesung: Masterstudiengang, SS 2014, RWTH Aachen, Aachen, Germany, 01. April 2014 - 30. September 2014

Hochschulschrift - Doktorarbeit (1)

1. 115.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

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

Hochschulschrift - Master (1)

1. 116.
   MPG.PuRe
   Hochschulschrift - 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.
   MPG.PuRe

   DOI
   Editorial

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