Veröffentlichungen

Vortrag (57)

1. 101.
   MPG.PuRe
   Vortrag

   Neugebauer, J.: Inclusion of Phonon-Phonon and Magnon-Phonon couplings in the thermodynamic description of materials: An ab initio approach. TMS Conference, Nashville, TN, USA (2016)
2. 102.
   MPG.PuRe
   Vortrag

   Neugebauer, J.: Understanding the fundamental mechanisms behind H embrittlement in metals: An ab initio guided multiscale approach. Joint Hydrogenius and I2CNER International Workshop on Hydrogen-Materials Interactions at Kyushu University, Fukuoka, Japan (2016)
3. 103.
   MPG.PuRe
   Vortrag

   Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. TMS 2016, Nashville, TN, USA (2016)
4. 104.
   MPG.PuRe
   Vortrag

   Jaya, B. N.; Alam, M.; Bhowmick, S.; Das , D. K.; Kamat , S. V.; Asif, S. A. S.; Jayaram, V.: Composition and temperature dependence of fracture behavior of diffusion aluminide bond coats. 2016 TMS Annual Meeting and Exhibition Symposium: High-Temperature Systems for Energy Conversion and Storage, Nashville, TN, USA (2016)
5. 105.
   MPG.PuRe
   Vortrag

   Neugebauer, J.: Describing Hydrogen Embrittlement by ab initio guided multiscale modeling – status, perspectives and challenges. I2CNER Annual Symposium: Computational Solutions to Fundamental Problems in Carbon-Neutral Energy Research, Fukuoka, Japan (2016)
6. 106.
   MPG.PuRe
   Vortrag

   Neugebauer, J.: Mechanical properties and finite temperatures. CECAM Conference Lausanne, Lausanne, Switzerland (2016)
7. 107.
   MPG.PuRe
   Vortrag

   Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Shear Transformation in a Non-Equiatomic CoCrFeMnNi High-Entropy Alloy. 2016 MRS Fall Meeting, Boston, MA, USA (2016)
8. 108.
   MPG.PuRe
   Vortrag

   Raabe, D.; Li, Z.; Tasan, C. C.; Yao, M.; Ma, D.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics and Mechanical Properties of Non-Equiatomic CoCrFeMnNi Alloys. 2016 MRS Fall Meeting, Boston, MA, USA (2016)
9. 109.
   MPG.PuRe
   Vortrag

   Yao, M.; Dey, P.; Welsch, E. D.; Choi, P.-P.; Herbig, M.; Gault, B.; Seol, J. B.; Marceau, R. K. W.: Atomistic understanding of structure and deformation of nano-sized kappa-carbide precipitates in light-weight steels. APT&M 2016, The 55th International Conference on Atom Probe Tomography & Microscopy, Gyeongju, South Korea (2016)

Poster (6)

1. 110.
   MPG.PuRe
   Poster

   Dutta, B.; Hickel, T.; Neugebauer, J.: Investigation of point defects in Heusler alloys: An ab initio study. Bunsen Colloquium at Institute of Physical Chemistry, RWTH Aachen University, Aachen, Germany (2016)
2. 111.
   MPG.PuRe
   Poster

   Dutta, B.; Hickel, T.; Olsen, R. J.; Larson, B. C.; Stocks, M.; Samolyuk, G. D.; Neugebauer, J.: Towards a microscopic understanding of lattice vibrations in disordered systems: implications for high entropy alloys. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)
3. 112.
   MPG.PuRe
   Poster

   Dutta, B.; Körmann, F.; Alling, B.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Interaction of magnetic and lattice degrees of freedom. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)
4. 113.
   MPG.PuRe
   Poster

   Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Welsch, E.; Herbig, M.; Friák, M.; Lipińska-Chwałek, M.; Hickel, T.; Scheu, C. et al.; Raabe, D.; Neugebauer, J.: Off-stoichiometric composition of κ carbide in Fe–Mn–Al–C steels: An ab-initio study combined with experiment. ADIS 2016 Workshop, Tegernsee, Germany (2016)
5. 114.
   MPG.PuRe
   Poster

   Li, X.; Bottler, F.; Spatschek, R. P.; Scherf, A.; Heilmaier, M.; Stein, F.: Novel Lamellar in situ Composite Materials in the Al-Rich Part of the Fe-Al System. Int. Conf. The Materials Chain: From Discovery to Production, University Bochum, Bochum, Germany (2016)
6. 115.
   MPG.PuRe
   Poster

   Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. The Materials Chain: From Discovery to Production, International Conference, Bochum, Germany (2016)

Lehrmaterial (1)

1. 116.
   MPG.PuRe
   Lehrmaterial

   Zaefferer, S.; Hickel, T.; Prahl, U.: Microstructures, Microscopy & Modelling. Vorlesung: SS 2016, RWTH Aachen, Aachen, Germany, 2016

Hochschulschrift - Doktorarbeit (3)

1. 117.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Vatti, A. K.: An ab initio study of muscovite mica and formation energy of ions in liquid water. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
2. 118.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Bhogireddy, V. S. P. K.: Liquid metal induced grain boundary embrittlement: A multi-scale study. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
3. 119.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Aydin, U.: Interstitial solution enthalpies derived from rst-principles: Knowledge Discovery using High-Throughput Databases. Dissertation, Universität Paderborn, Fakultät für Naturwissenschaften, Paderborn, Germany (2016)

Hochschulschrift - Master (1)

1. 120.
   MPG.PuRe
   Hochschulschrift - Master

   Surendralal, S.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)