Hickel T - Search Results

1

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: hickel t. 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

2

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. 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

3

Advancing density functional theory to finite temperatures: methods and applications in steel design.

Hickel T, Grabowski B, Körmann F, Neugebauer J. Hickel T, et al. J Phys Condens Matter. 2012 Feb 8;24(5):053202. doi: 10.1088/0953-8984/24/5/053202. Epub 2011 Dec 9. J Phys Condens Matter. 2012. PMID: 22156143 Review.

4

The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation.

Aksyonov DA, Hickel T, Neugebauer J, Lipnitskii AG. Aksyonov DA, et al. Among authors: hickel t. J Phys Condens Matter. 2016 Sep 28;28(38):385001. doi: 10.1088/0953-8984/28/38/385001. Epub 2016 Jul 27. J Phys Condens Matter. 2016. PMID: 27460043

5

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

McEniry EJ, Hickel T, Neugebauer J. McEniry EJ, et al. Among authors: hickel t. 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.

6

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: hickel t. 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

7

Thermodynamic modeling of chromium: strong and weak magnetic coupling.

Körmann F, Grabowski B, Söderlind P, Palumbo M, Fries SG, Hickel T, Neugebauer J. Körmann F, et al. Among authors: hickel t. J Phys Condens Matter. 2013 Oct 23;25(42):425401. doi: 10.1088/0953-8984/25/42/425401. Epub 2013 Sep 24. J Phys Condens Matter. 2013. PMID: 24065339

8

Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation.

Glensk A, Grabowski B, Hickel T, Neugebauer J. Glensk A, et al. Among authors: hickel t. Phys Rev Lett. 2015 May 15;114(19):195901. doi: 10.1103/PhysRevLett.114.195901. Epub 2015 May 12. Phys Rev Lett. 2015. PMID: 26024182

9

Mechanism of collective interstitial ordering in Fe-C alloys.

Zhang X, Wang H, Hickel T, Rogal J, Li Y, Neugebauer J. Zhang X, et al. Among authors: hickel t. Nat Mater. 2020 Aug;19(8):849-854. doi: 10.1038/s41563-020-0677-9. Epub 2020 May 4. Nat Mater. 2020. PMID: 32367079

10

Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principles.

Uijttewaal MA, Hickel T, Neugebauer J, Gruner ME, Entel P. Uijttewaal MA, et al. Among authors: hickel t. Phys Rev Lett. 2009 Jan 23;102(3):035702. doi: 10.1103/PhysRevLett.102.035702. Epub 2009 Jan 22. Phys Rev Lett. 2009. PMID: 19257370

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