Biedermann, P. U.; Blumenau, A. T.: Ab-Initio Calculation of the Standard Hydrogen Electrode Potential and Application to the Mechanism of the Oxygen Reduction. Workshop on Converging Theoretical and Experimental Approaches to Corrosion, MPIE, Düsseldorf, Germany (2007)
Blumenau, A. T.; Biedermann, P. U.; Torres, E.: Modelling adhesion and delamination at oxide/polymer interfaces. Multiscale Material Modeling of Condensed Matter, MMM2007, St. Feliu de Guixols, Spain (2007)
Biedermann, P. U.; Torres, E.; Blumenau, A. T.: Oxygen Reduction at Thiol/Au(111)SAMs, Atomistic Modelling and Experiment. 212th ECS Meeting, Washington, D.C., USA (2007)
Özcan, Ö.; Thissen, P.; Diesing, D.; Blumenau, A. T.; Grundmeier, G.: A Monte Carlo - DFT Study: Adsorption of organosilanes on polar ZnO(0001) surfaces. 43rd Symposium on Theoretical Chemistry, Saarbrücken, Germany (2007)
Özcan, Ö.; Thissen, P.; Blumenau, A. T.; Grundmeier, G.: Adsorption of organosilane molecules on polar ZnO (0001) surfaces. ECASIA 2007, 12th European Conference on Applications of Surface and Interface Analysis, Brussels-Flggey, Belgium (2007)
Blumenau, A. T.: Extended defects in GaN from an atomistic modelling point view. OPTO 2007, Integrated Optoelectronic Devices, San Jose, California, USA (2007)
Biederrmann, U. P.; Torres, E.; Blumenau, A. T.: Degradation of Alkanethiol/Au(111) Self-Assembled Monolayers During Oxygen Reduction. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)
Torres, E.; Biederrmann, U. P.; Blumenau, A. T.: A DFT study of Alkanethiol adsorption sites on Au(111) surfaces. A DFT study of Alkanethiol adsorption sites on Au(111) surfaces, Clausthal, Germany (2006)
Lehtinen, P.; Grundmeier, G.; Blumenau, A. T.: Ab initio studies of molecular adsorption on g-AlOOH (001)-surface. 1. Harzer Ab initio Workshop, Clausthal, Germany (2006)
Eberlein, T. A. G.; Jones, R.; Blumenau, A. T.; Öberg, S.; Briddon, P. R.: Movement and pinning of dislocations in SiC. EDS 2006, Halle, Germany (2006)
Fujita, N.; Blumenau, A. T.; Jones, R.; Öberg, S.; Briddon, P. R.: Dislocations in single crystal CVD diamond and their interaction with intrinsic point defects. EDS 2006, Halle, Germany (2006)
Fujita, N.; Blumenau, A. T.; Jones, R.; Öberg, S.; Briddon, P. R.: A theoretical investigation of transition metal defects trapped at dislocations in silicon. EDS 2006, Halle, Germany (2006)
Lehtinen, P.; Blumenau, A. T.; Grundmeier, G.: Adsorption of water molecule on gamma-AlOOH (001)-surface. Internationaler Workshop auf Schloss Ringberg, Schloss Ringberg, Germany (2006)
Blumenau, A. T.; Eberlein, T. A. G.; Jones, R.; Frauenheim, T.: The Modelling of Dislocations in Semiconductor Crystals. EUROMAT 2005, Prague, Czech Republic (2005)
Fujita, N.; Blumenau, A. T.; Jones, R.; Öberg, S.; Briddon, P. R.: <100> dislocations in single crystal CVD diamond - Theoretical aspects. De Beers Diamond conference, Oxford, UK (2005)
Blumenau, A. T.; Eberlein, T. A. G.; Jones, R.; Öberg, S.; Frauenheim, T.; Briddon, P. R.: The effect of charge on Basal dislocations in silicon carbide. EDS 2004, Chernogolovka, Russia (2004)
Hamou, R. F.; Biedermann, P. U.; Rohwerder, M.; Blumenau, A. T.: FEM Simulation of the Scanning Electrochemical Potential Microscopy (SECPM). 2nd IMPRS-SurMat Workshop in Surface and Interface Engineering in Advanced Materials, Ruhr-Universität Bochum, Bochum, Germany (2008)
Özcan, Ö.; Blumenau, A. T.; Grundmeier, G.: Adsorption of Organosilanes on ZnO Surfaces. 2nd IMPRS-SurMat Workshop in Surface and Interface Engineering in Advanced Materials, Ruhr-Universität Bochum, Bochum, Germany (2008)
Torres, E.; Biedermann, P. U.; Blumenau, A. T.: A DFT study of Alkanethiol adsorption sites on Au(111) surfaces. 2nd IMPRS-SurMat Workshop in Surface and Interface Engineering in Advanced Materials, Ruhr-Universität Bochum, Bochum, Germany (2008)
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
Hydrogen induced embrittlement of metals is one of the long standing unresolved problems in Materials Science. A hierarchical multiscale approach is used to investigate the underlying atomistic mechanisms.
Hydrogen embrittlement affects high-strength ferrite/martensite dual-phase (DP) steels. The associated micromechanisms which lead to failure have not been fully clarified yet. Here we present a quantitative micromechanical analysis of the microstructural damage phenomena in a model DP steel in the presence of hydrogen.
Thermo-chemo-mechanical interactions due to thermally activated and/or mechanically induced processes govern the constitutive behaviour of metallic alloys during production and in service. Understanding these mechanisms and their influence on the material behaviour is of very high relevance for designing new alloys and corresponding…
The project aims to study corrosion, a detrimental process with an enormous impact on global economy, by combining denstiy-functional theory calculations with thermodynamic concepts.
Understanding hydrogen-assisted embrittlement of advanced structural materials is essential for enabling future hydrogen-based energy industries. A crucially important phenomenon in this context is the delayed fracture in high-strength structural materials. Factors affecting the hydrogen embrittlement are the hydrogen content,...
Understanding hydrogen-assisted embrittlement of advanced high-strength steels is decisive for their application in automotive industry. Ab initio simulations have been employed in studying the hydrogen trapping of Cr/Mn containing iron carbides and the implication for hydrogen embrittlement.