Search results

Journal Article (4)

1.
Journal Article
Korbmacher, D.; Glensk, A.; Duff, A. I.; Finnis, M. W.; Grabowski, B.; Neugebauer, J.: Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 100 (10), 104110 (2019)
2.
Journal Article
Korbmacher, D.; von Pezold, J.; Brinckmann, S.; Neugebauer, J.; Hüter, C.; Spatschek, R. P.: Modeling of phase equilibria in Ni–H: Bridging the atomistic with the continuum scale. Metals 8 (4), 280 (2018)
3.
Journal Article
Kaplan, B.; Korbmacher, D.; Blomqvist, A.; Grabowski, B.: Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr3C2. Calphad 53, pp. 72 - 77 (2016)
4.
Journal Article
Duff, A. I.; Davey, T.; Korbmacher, D.; Glensk, A.; Grabowski, B.; Neugebauer, J.; Finnis, M. W.: Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B 91 (21), 214311 (2015)

Conference Paper (1)

5.
Conference Paper
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Duff, A.; Finnis, M. W.; Neugebauer, J.: Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 755 - 756 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)

Talk (13)

6.
Talk
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Duff, A.; Finnis, M. W.: Ab initio description of the Ti bcc to omega transition at finite temperatures. DPG-Frühjahrstagung 2015, Berlin, Germany (2015)
7.
Talk
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Duff, A.; Finnis, M. W.: Ab initio description of the Ti bcc to omega transition at finite temperatures. PTM 2015, International Conference on Solid-Solid Phase Transformations in Inorganic Materials, Whistler, BC, Canada (2015)
8.
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.
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)
10.
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)
11.
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)
12.
Talk
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio finite temperature description of α Ti including anharmonic contributions. DPG-Frühjahrstagung 2013, Regensburg, Germany (2013)
13.
Talk
Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale Bridging Modeling of Hydrogen Embrittlement. 2012 MRS Fall Meeting & Exhibit, Boston, MA, USA (2012)
14.
Talk
Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale bridging modeling of hydrogen embrittlement. ICAMS Klausurtagung, Münster, Germany (2012)
15.
Talk
Spatschek, R.; Korbmacher, D.; von Pezold, J.: Scale bridging modeling of hydrogen embrittlement. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
16.
Talk
Korbmacher, D.; von Pezold, J.; Spatschek, R.: Hydrogen embrittlement - A scale bridging perspective. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)
17.
Talk
Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale bridging modeling of hydrogen embrittlement. MMM 2012, Singapore City, Singapore (2012)
18.
Talk
Korbmacher, D.; Spatschek, R.: Development of a continuum model for hydrogen embrittlement at cracks. CM-Workshop, Attendorn, Germany (2011)

Poster (2)

19.
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)
20.
Poster
Korbmacher, D.; Hüter, C.; von Pezold, J.; Spatschek, R.; Neugebauer, J.: Continuum modeling of hydrogen embrittlement. Gordon conference "Physical Metallurgy", Easton, MA, USA (2011)
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