Neugebauer J - Search Results

1

Hydrogen behaviour at twist {110} grain boundaries in α-Fe.

McEniry EJ, Hickel T, Neugebauer J. McEniry EJ, et al. Among authors: neugebauer j. Philos Trans A Math Phys Eng Sci. 2017 Jul 28;375(2098):20160402. doi: 10.1098/rsta.2016.0402. Philos Trans A Math Phys Eng Sci. 2017. PMID: 28607182 Free PMC article.

2

A map for phase-change materials.

Lencer D, Salinga M, Grabowski B, Hickel T, Neugebauer J, Wuttig M. Lencer D, et al. Among authors: neugebauer j. Nat Mater. 2008 Dec;7(12):972-7. doi: 10.1038/nmat2330. Epub 2008 Nov 16. Nat Mater. 2008. PMID: 19011618

3

Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite.

Elstnerová P, Friák M, Fabritius HO, Lymperakis L, Hickel T, Petrov M, Nikolov S, Raabe D, Ziegler A, Hild S, Neugebauer J. Elstnerová P, et al. Among authors: neugebauer j. Acta Biomater. 2010 Dec;6(12):4506-12. doi: 10.1016/j.actbio.2010.07.015. Epub 2010 Aug 2. Acta Biomater. 2010. PMID: 20650336

4

Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys (abstract only).

Hickel T, Uijttewaal M, Grabowski B, Neugebauer J. Hickel T, et al. Among authors: neugebauer j. J Phys Condens Matter. 2008 Feb 13;20(6):064219. doi: 10.1088/0953-8984/20/6/064219. Epub 2008 Jan 24. J Phys Condens Matter. 2008. PMID: 21693881

5

Density functional theory in materials science.

Neugebauer J, Hickel T. Neugebauer J, et al. Wiley Interdiscip Rev Comput Mol Sci. 2013 Sep;3(5):438-448. doi: 10.1002/wcms.1125. Epub 2013 Jan 8. Wiley Interdiscip Rev Comput Mol Sci. 2013. PMID: 24563665 Free PMC article.

6

Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: a first-principles study.

von Appen J, Dronskowski R, Chakrabarty A, Hickel T, Spatschek R, Neugebauer J. von Appen J, et al. Among authors: neugebauer j. J Comput Chem. 2014 Dec 5;35(31):2239-44. doi: 10.1002/jcc.23742. Epub 2014 Sep 24. J Comput Chem. 2014. PMID: 25250795

7

Origin of Structural Modulations in Ultrathin Fe Films on Cu(001).

Zhang X, Hickel T, Rogal J, Neugebauer J. Zhang X, et al. Among authors: neugebauer j. Phys Rev Lett. 2017 Jun 9;118(23):236101. doi: 10.1103/PhysRevLett.118.236101. Epub 2017 Jun 9. Phys Rev Lett. 2017. PMID: 28644663

8

Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts.

Zegkinoglou I, Zendegani A, Sinev I, Kunze S, Mistry H, Jeon HS, Zhao J, Hu MY, Alp EE, Piontek S, Smialkowski M, Apfel UP, Körmann F, Neugebauer J, Hickel T, Roldan Cuenya B. Zegkinoglou I, et al. Among authors: neugebauer j. J Am Chem Soc. 2017 Oct 18;139(41):14360-14363. doi: 10.1021/jacs.7b07902. Epub 2017 Oct 4. J Am Chem Soc. 2017. PMID: 28937775

9

Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study.

Stockem I, Bergman A, Glensk A, Hickel T, Körmann F, Grabowski B, Neugebauer J, Alling B. Stockem I, et al. Among authors: neugebauer j. Phys Rev Lett. 2018 Sep 21;121(12):125902. doi: 10.1103/PhysRevLett.121.125902. Phys Rev Lett. 2018. PMID: 30296117 Free article.

10

Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio.

Glensk A, Grabowski B, Hickel T, Neugebauer J, Neuhaus J, Hradil K, Petry W, Leitner M. Glensk A, et al. Among authors: neugebauer j. Phys Rev Lett. 2019 Dec 6;123(23):235501. doi: 10.1103/PhysRevLett.123.235501. Phys Rev Lett. 2019. PMID: 31868491

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