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Autor:
Gröger, R.
The thermodynamic description of dislocation glide in crystals depends crucially on the shape of the Peierls barrier that the dislocation has to overcome when moving in the lattice. While the height of this barrier can be obtained unequivocally using
Externí odkaz:
http://arxiv.org/abs/1409.1069
Autor:
Gröger, R.
By direct application of stress in molecular statics calculations we identify the stress components that affect the glide of 1/2<111> screw dislocations in bcc tungsten. These results prove that the hydrostatic stress and the normal stress parallel t
Externí odkaz:
http://arxiv.org/abs/1310.7272
Autor:
Martini, Daniele, Marti, Othmar, Beil, Michael, Paust, T., Huang, C., Moosmann, M., Jin, J., Heiler, T., Gröger, R., Schimmel, Thomas, Walheim, Stefan
Publikováno v:
in Schimmel, T.; von L\"ohneysen, H. & Barczewski (Eds.) Advances in Nanotechnology, Baden-W\"urttemberg Stiftung, 2013, 69, 151-190, ISBN 978-3-00-039257-3
A detailed understanding of the interface between living cells and substrate materials is of rising importance in many fields of medicine, biology and biotechnology. Cells at interfaces often form epithelia. The physical barrier that they form is one
Externí odkaz:
http://arxiv.org/abs/1303.0392
Autor:
Gröger, R., Vitek, V.
We demonstrate that the straightforward application of the Nudged Elastic Band (NEB) method does not determine the correct Peierls barrier of 1/2<111> screw dislocations in BCC metals. Although this method guarantees that the states (images) of the s
Externí odkaz:
http://arxiv.org/abs/1111.5709
Autor:
Gröger, R., Lookman, T.
The continuum theory of dislocations, as developed predominantly by Kr\"oner and Kosevich, views each dislocation as a source of incompatibility of strains. We show that this concept can be employed efficiently in the Landau free energy functional to
Externí odkaz:
http://arxiv.org/abs/1007.2708
Structural transitions are invariably affected by lattice distortions. If the body is to remain crack-free, the strain field cannot be arbitrary but has to satisfy the Saint-Venant compatibility constraint. Equivalently, an incompatibility constraint
Externí odkaz:
http://arxiv.org/abs/1005.0903
One of the most challenging problems in understanding the structural phase transformations in Pu is to determine the energetically favored, continuous atomic pathways from one crystal symmetry to another. This problem involves enumerating candidate p
Externí odkaz:
http://arxiv.org/abs/0812.0985
Autor:
Gröger, R., Vitek, V.
Publikováno v:
Mat. Sci. Forum 482, 123-126, 2005
The breakdown of the Schmid law in bcc metals has been known for a long time. The asymmetry of shearing in the slip direction <111> in the positive and negative sense, respectively, commonly identified with the twinning-antitwinning asymmetry, is und
Externí odkaz:
http://arxiv.org/abs/0808.0738
Autor:
Gröger, R., Vitek, V.
In this paper we develop a link between the atomic-level modeling of the glide of 1/2<111> screw dislocations at 0 K and the thermally activated motion of these dislocations via nucleation of pairs of kinks. For this purpose, we introduce the concept
Externí odkaz:
http://arxiv.org/abs/0807.2772