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)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.
Atom probe tomography (APT) is one of the MPIE’s key experiments for understanding the interplay of chemical composition in very complex microstructures down to the level of individual atoms. In APT, a needle-shaped specimen (tip diameter ≈100nm) is prepared from the material of interest and subjected to a high voltage. Additional voltage or laser…
Ever since the discovery of electricity, chemical reactions occurring at the interface between a solid electrode and an aqueous solution have aroused great scientific interest, not least by the opportunity to influence and control the reactions by applying a voltage across the interface. Our current textbook knowledge is mostly based on mesoscopic…
Integrated Computational Materials Engineering (ICME) is one of the emerging hot topics in Computational Materials Simulation during the last years. It aims at the integration of simulation tools at different length scales and along the processing chain to predict and optimize final component properties.