Publications

Talk (383)

1. 241.
   MPG.PuRe
   Talk

   Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Stacking Fault Energies: A First Principles Investigation for fcc Iron. TMS 2014, San Diego, CA, USA (2014)
2. 242.
   MPG.PuRe
   Talk

   Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio study of hydrogen trapping by kappa-carbides in an austenitic Fe matrix. DPG Frühjahrstagung, Dresden, Germany (2014)
3. 243.
   MPG.PuRe
   Talk

   Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.; Haley, D.; Choi, P.-P.; Evertz, T.; Georgeou, Z.; Mirković, D.; Klose, F.: Hydrogen-carbide interactions in steels: Ab-initio calculations combined with experiment. Steel & Hydrogen, 2nd International Conference on Metals and Hydrogen, Gent, Belgium (2014)
4. 244.
   MPG.PuRe
   Talk

   Dutta, B.; Hickel, T.; Neugebauer, J.: Coupling of lattice dynamics and magnetism in magnetic shape memory alloys: Consequences for phase diagrams. Asia Sweden meeting on understanding functional materials from lattice dynamics (ASMFLD) conference, Indian Institute of technology Guwahati, Guwahati, India (2014)
5. 245.
   MPG.PuRe
   Talk

   Dutta, B.; Hickel, T.; Neugebauer, J.: Interface-related phenomena in coupled direct and inverse magneto-caloric materials: A first-principles study. DPG Frühjahrstagung, Dresden, Germany (2014)
6. 246.
   MPG.PuRe
   Talk

   Hickel, T.; Glensk, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Thermodynamics of materials up to the melting point: The role of anharmonicities. Asia Sweden Meeting on Understanding Functional Materials from Lattice dynamics, Guwahati, India (2014)
7. 247.
   MPG.PuRe
   Talk

   Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)
8. 248.
   MPG.PuRe
   Talk

   Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of anharmonic free energy contributions in an ab initio description of the hcp to bcc transition in Ti. DPG-Frühjahrstagung 2014, Dresden, Germany (2014)
9. 249.
   MPG.PuRe
   Talk

   Körmann, F.; Hickel, T.; Neugebauer, J.: Phase stabilities of metals and steels - The impact of magnetic excitations from fi rst-principles. ADIS (Ab initio Description of Iron and Steel) Conference 2014 , Ringberg Castle, Rottach-Egern, Germany (2014)
10. 250.
    MPG.PuRe
    Talk

    Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Impact of weak and strong magnetic coupling on the thermodynamics of chromium. DPG spring meeting 2014 , Dresden, Germany (2014)
11. 251.
    MPG.PuRe
    Talk

    Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Adaptive behavior in the Fe–C system. Pearlite workshop, MPIE, Düsseldorf, Germany (2014)
12. 252.
    MPG.PuRe
    Talk

    Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Ab initio study on the role of interfaces for structural transformations in the Fe–C system. TMS 2014, San Diego, CA, USA (2014)
13. 253.
    MPG.PuRe
    Talk

    Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Ab initio based insights into structural transformations and the role of interfaces in Fe–C alloys. DPG 2014, Dresden, Germany (2014)
14. 254.
    MPG.PuRe
    Talk

    Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin film and impact for structural transformations in Fe–C alloys. ADIS Workshop 2014, Ringberg, Germany (2014)
15. 255.
    MPG.PuRe
    Talk

    Körmann, F.; Grabowski, B.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.: Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)
16. 256.
    MPG.PuRe
    Talk

    Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. IMR Seminar at Institute for Materials Research, Tohoku University, Sendai, Japan (2013)
17. 257.
    MPG.PuRe
    Talk

    Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)
18. 258.
    MPG.PuRe
    Talk

    Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)
19. 259.
    MPG.PuRe
    Talk

    Grabowski, B.; Huang, L.; Korbmacher, D.; Glensk, A.; Hickel, T.; Neugebauer, J.: Ab initio based thermodynamics of and phase transformations in Ti alloys. EUROMAT Conference, Sevilla, Spain (2013)
20. 260.
    MPG.PuRe
    Talk

    Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)