Regensburg 2019 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 27: Methods in Computational Materials Modelling (methodological aspects, numerics)

Mittwoch, 3. April 2019, 15:00–18:15, H44

Sessions: Alloys and Mechanical Response

  15:00 MM 27.1 The contribution has been withdrawn.
15:15 MM 27.2 Ab initio study of plastic deformation in Fe2Nb Laves phase — •Alvin Noe Ladines, Thomas Hammerschmidt, Ali Zendegani, Tilmann Hickel, Ralf Drautz, and Joerg Neugebauer
15:30 MM 27.3 Understanding the thermodynamics and kinetics of precipitate formation in Al-Sc-Zr alloys — •Ankit Gupta, Yulia Buranova, Vladislav Kulitcki, K. Li, Yong Du, Biswanath Dutta, Tilmann Hickel, Jörg Neugebauer, Gerhard Wilde, and Sergiy V. Divinski
15:45 MM 27.4 Multi-Scale Modelling of Guinier-Preston Zone Formation in Al-Cu Alloys — •Tobias Stegmüller and Ferdinand Haider
16:00 MM 27.5 mergence of complex patterns in CoTixZr1-xSb1-ySny and NiTixZr1-xSb1-ySny half-Heuslers — •Joaquin Miranda Mena and Thomas Gruhn
16:15 MM 27.6 First principle studies of Electronic, Magnetic, and mechanical properties of (Pt and Ru) ZrTiAl Quaternary Heusler Alloy — •Ramesh Paudel and Jingchuan Zhu
  16:30 15 min. break
16:45 MM 27.7 Numerical simulation of deformation of aluminum alloy during novel Conform-HPTE process — •Jiamin Hu, Roman Kulagin, Yulia Ivanisenko, and Hui Zhang
17:00 MM 27.8 Hydrogen enhanced cross-slip of dislocations in the vicinity of grain boundaries in nickel — •Ali Tehranchi, Tilmann Hickel, and Jörg Neugebauer
17:15 MM 27.9 Electronic structure and lithium storage mechanism of high-rate niobium oxide-based crystallographic shear phases from first principles — •Can P. Koçer, Kent J. Griffith, Clare P. Grey, and Andrew J. Morris
17:30 MM 27.10 Effect of strain on ionic conductivity of cubic Li6.25Al0.25La3Zr2O12 solid electrolyte — •Ashkan Moradabadi and Payam Kaghazchi
17:45 MM 27.11 Ab initio study of tetragonal and trigonal bcc-fcc trans- formations in Ti-Al-Mo systemNeda Abdoshahi, •David Holec, Martin Friák, and Mojmir Šob
18:00 MM 27.12 An ab initio perspective on reversible martensitic transformations in Ti-Ta shape memory alloys — •Alberto Ferrari, Davide G. Sangiovanni, Jutta Rogal, and Ralf Drautz
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