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Albert Glensk

Max Planck Society

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Featured researches published by Albert Glensk.

Advances in Materials Science and Engineering | 2016

Effects of Aluminum on Hydrogen Solubility and Diffusion in Deformed Fe-Mn Alloys

Claas Hüter; Siaufung Dang; Xie Zhang; Albert Glensk; Robert Spatschek

We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies and then employ Oriani’s theory which reflects the influence of Al alloying via trap site diffusion. This local equilibrium model is complemented by qualitative considerations of Einstein diffusion. Therefore, we apply the climbing image nudged elastic band method to compute the minimum energy paths and energy barriers for hydrogen diffusion. Both for diffusivity and solubility of hydrogen, we find that the influence of the substitutional Al atom has both local chemical and nonlocal volumetric contributions.

Physical Review Letters | 2015

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

Albert Glensk; Blazej Grabowski; Tilmann Hickel; Jörg Neugebauer

Physical Review X | 2014

Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics

Albert Glensk; Blazej Grabowski; Tilmann Hickel; Jörg Neugebauer

Physica Status Solidi B-basic Solid State Physics | 2014

Perspectives on point defect thermodynamics

Jutta Rogal; Sergiy V. Divinski; Michael W. Finnis; Albert Glensk; Jörg Neugebauer; J.H. Perepezko; Sergej Schuwalow; Marcel H. F. Sluiter; Bo Sundman

Physical Review B | 2016

Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics

Björn Alling; Fritz Körmann; Blazej Grabowski; Albert Glensk; Igor A. Abrikosov; Jörg Neugebauer

Physical Review B | 2015

Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

Andrew Duff; Theresa Davey; Dominique Korbmacher; Albert Glensk; Blazej Grabowski; Jörg Neugebauer; Michael W. Finnis

Calphad-computer Coupling of Phase Diagrams and Thermochemistry | 2012

Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system

Michael Schick; Bengt Hallstedt; Albert Glensk; Blazej Grabowski; Tilmann Hickel; Milan Hampl; Joachim Gröbner; Jörg Neugebauer; Rainer Schmid-Fetzer

Physical Review B | 2015

Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au

Blazej Grabowski; Stefan Martin Wippermann; Albert Glensk; Tilmann Hickel; Jörg Neugebauer

Physical Review B | 2018

Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni

Yilun Gong; Blazej Grabowski; Albert Glensk; Fritz Körmann; Jörg Neugebauer; Roger C. Reed

Physical Review Letters | 2018

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

Irina Stockem; Anders Bergman; Albert Glensk; Tilmann Hickel; Fritz Körmann; Blazej Grabowski; Jörg Neugebauer; Björn Alling

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Blazej Grabowski

Max Planck Society

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Jörg Neugebauer

Max Planck Society

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Tilmann Hickel

Max Planck Society

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Dominique Korbmacher

Max Planck Society

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Fritz Körmann

Delft University of Technology

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Michael W. Finnis

Imperial College London

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Andrew Duff

Imperial College London

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J. Neugebauer

Max Planck Society

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Björn Alling

Linköping University

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Roger C. Reed

University of Oxford

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