507 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of FreiburgDE49 papers
- Karlsruhe Institute of TechnologyDE19 papers
- Forschungszentrum JülichDE5 papers
- Johns Hopkins UniversityUS4 papers
- Technische Universität DarmstadtDE4 papers
- University of CambridgeGB4 papers
- Fraunhofer Institute for Industrial MathematicsDE3 papers
- RWTH Aachen UniversityDE3 papers
- University of RegensburgDE3 papers
- Arizona State UniversityUS2 papers
- Fraunhofer Institute for Applied Solid State PhysicsDE2 papers
- Innovation Cluster (Canada)CA2 papers
8 papers · 1 filter
Atomistic analysis of Li migration in (LATP) solid electrolytes
Daniel Pfalzgraf, Daniel Mutter, Daniel F. Urban
We examine the ionic migration of Li in LATP [] solid electrolytes from an atomistic viewpoint by means of de…
Compensating data shortages in manufacturing with monotonicity knowledge
Martin von Kurnatowski, Jochen Schmid, Patrick Link +5
Optimization in engineering requires appropriate models. In this article, a regression method for enhancing the predictive power of a model by exploiting expert knowledge in the fo…
Taylor-series expansion based numerical methods: a primer, performance benchmarking and new approaches for problems with non-smooth solutions
Thibault Jacquemin, Satyendra Tomar, Konstantinos Agathos +2
We provide a primer to numerical methods based on Taylor series expansions such as generalized finite difference methods and collocation methods. We provide a detailed benchmarking…
Influence of extended defects on the formation energy, the hyperfine structure, and the zero-field splitting of NV centers in diamond
Wolfgang Körner, Daniel F. Urban, Christian Elsässer
We present a density functional theory analysis of nitrogen-vacancy (NV) centers in diamond which are located in the vicinity of extended defects, namely intrinsic stacking faults…
Deep Reinforcement Learning Methods for Structure-Guided Processing Path Optimization
Johannes Dornheim, Lukas Morand, Samuel Zeitvogel +3
A major goal of materials design is to find material structures with desired properties and in a second step to find a processing path to reach one of these structures. In this pap…
CupNet -- Pruning a network for geometric data
Raoul Heese, Lukas Morand, Dirk Helm +1
Using data from a simulated cup drawing process, we demonstrate how the inherent geometrical structure of cup meshes can be used to effectively prune an artificial neural network i…
Constitutive relations for plasticity of amorphous carbon
Richard Jana, Julian von Lautz, S. Mostafa Khosrownejad +3
We deform representative volume elements of amorphous carbon obtained from melt-quenches in molecular dynamics calculations using bond-order and machine learning interatomic potent…
First-principles calculation of electroacoustic properties of wurtzite (Al,Sc)N
Daniel F. Urban, Oliver Ambacher, Christian Elsässer
We study the electroacoustic properties of aluminum scandium nitride crystals AlScN with the metastable wurtzite structure by means of first-principles calculations bas…