81 citations · 209 across the 6 of their papers we have counts for
6 papers
Development and Evaluation of Interactive, Research-oriented Teaching Elements for Raising the Students' Interest in Research and for Facilitating the Achievement of Educational Objectives within the Lecture "Atomistic Materials Modeling"
Gregor Feldbauer, Marcel Steffen
The lecture "Atomistic Materials Modeling" is a core qualification of the master program "materials science" at the Hamburg University of Technology (TUHH). Within the lecture, var…
Thermostat Influence on the Structural Development and Material Removal during Abrasion of Nanocrystalline Ferrite
Stefan J. Eder, Ulrike Cihak-Bayr, Davide Bianchi +2
We consider a nanomachining process of hard, abrasive particles grinding on the rough surface of a polycrystalline ferritic work piece. Using extensive large-scale molecular dynami…
Ab-initio calculation of the real contact area on the atomic scale
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
We present a novel approach to determine the onset of contact between a tip and a surface. The real contact area depending on the distance is calculated using Bader's quantum theor…
Adhesion and material transfer between contacting Al and TiN surfaces from first principles
Gregor Feldbauer, Michael Wolloch, Pedro O. Bedolla +3
A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of…
Ab-initio friction forces on the nanoscale: A DFT study of fcc Cu(111)
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
While there are a number of models that tackle the problem of calculating friction forces on the atomic level, providing a completely parameter-free approach remains a challenge. H…
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
Pedro O. Bedolla, Gregor Feldbauer, Michael Wolloch +5
Van der Waals (vdW) forces play a fundamental role in the structure and behavior of diverse systems. Thanks to development of functionals that include non-local correlation, it is…