output
20042026
most citedQuantitative characterization of surface topography using spectral analysis

507 citations

Showing 2020Show all

8 papers · 1 filter

cond-mat.mtrl-sci2020★ 45 cited

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…

cs.LG2020★ 2 cited

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…

math.NA2020★ 36 cited

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…

cond-mat.mtrl-sci2020★ 15 cited

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…

cs.LG2020★ 26 cited

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…

cs.LG2020★ 1 cited

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…

cond-mat.mtrl-sci2020★ 8 cited

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…

cond-mat.mtrl-sci2020★ 100 cited

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…