Journal Article (31)
21.
Journal Article
182 (3), pp. 543 - 554 (2011)
The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 22.
Journal Article
59, pp. 2969 - 2980 (2011)
Hydrogen-enhanced plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia 23.
Journal Article
98 (7), pp. 072103-1 - 072103-3 (2011)
Effect of edge threading dislocations on the electronic structure of InN. Applied Physics Letters 24.
Journal Article
In-situ Scanning Tunneling Microscopy Study of selective dissolution of Au3Cu and Cu3Au(001). SI, pp. 1694 - 1700 (2011)
25.
Journal Article
59, pp. 3041 - 3048 (2011)
First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia 26.
Journal Article
82 (2), pp. 86 - 100 (2011)
Determining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 27.
Journal Article
109, pp. 083511-1 - 083511-6 (2011)
Electronic structure of 1/6 <20 2¯3> partial dislocations in wurtzite GaN. Journal of Applied Physics 28.
Journal Article
4, pp. 129 - 145 (2011)
Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 29.
Journal Article
56 (4), pp. 1694 - 1700 (2011)
In situ scanning tunneling microscopy study of selective dissolution of Au3Cu and Cu3Au (001). Electrochimica Acta 30.
Journal Article
19, pp. 327 - 335 (2011)
Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 31.
Journal Article
83 (18), pp. 184112-1 - 184112-11 (2011)
Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B Book (1)
32.
Book
Advanced Calculations for Defects in Materials: Electronic Structure Methods. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2011), 384 pp.
Book Chapter (1)
33.
Book Chapter
Chitin in the exoskeletons of arthropoda: From ancient design to novel materials science. In: Chitin, pp. 35 - 60 (Ed. editor), N. S. G. (.). Springer, Germany (2011)
Conference Paper (6)
34.
Conference Paper
Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)
35.
Conference Paper
105, pp. 22 - 50 (2011)
Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 36.
Conference Paper
248 (5), pp. 1067 - 1076 (2011)
Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, June 08, 2009 - June 10, 2009. Physica Status Solidi B 37.
Conference Paper
A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, September 05, 2011 - September 08, 2011., (2011)
38.
Conference Paper
326, pp. 012016-1 - 012016-5 (2011)
Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, April 04, 2011 - April 07, 2011. Journal of Physics Conference Series 39.
Conference Paper
690, pp. 202 - 205 (2011)
The relation between shear banding, microstructure and mechanical properties in Mg and Mg–Y alloys. 5th International Conference on Light Metals Technology V, Lüneburg, Germany, July 19, 2011 - July 22, 2011. Materials Science Forum Talk (82)
40.
Talk
Prediction of the Ground State of NiN and Ni2N within the Quantum Mechanical Study. Multiscale Design of Advanced Materials, Brno, Czech Republic (2011)