285 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- RWTH Aachen UniversityDE51 papers
- Jülich Supercomputing CentreDE10 papers
- Forschungszentrum JülichDE9 papers
- Indian Institute of Technology KanpurIN7 papers
- Jülich Aachen Research AllianceDE5 papers
- University of California, BerkeleyUS5 papers
- Lawrence Berkeley National LaboratoryUS4 papers
- Gdańsk University of TechnologyPL3 papers
- Beihang UniversityCN2 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Chinese Academy of SciencesCN2 papers
- Shanghai Jiao Tong UniversityCN2 papers
8 papers · 1 filter
Comparing quantum, molecular and continuum models for graphene at large deformations
Aningi Mokhalingam, Reza Ghaffari, Roger A. Sauer +1
In this paper, the validity and accuracy of three interatomic potentials and the continuum shell model of Ghaffari and Sauer [1] are investigated. The mechanical behavior of single…
Arbitrary Lagrangian--Eulerian finite element method for curved and deforming surfaces. I. General theory and application to fluid interfaces
Amaresh Sahu, Yannick A. D. Omar, Roger A. Sauer +1
An arbitrary Lagrangian--Eulerian (ALE) finite element method for arbitrarily curved and deforming two-dimensional materials and interfaces is presented here. An ALE theory is deve…
A monolithic fluid-structure interaction formulation for solid and liquid membranes including free-surface contact
Roger A. Sauer, Tobias Luginsland
A unified fluid-structure interaction (FSI) formulation is presented for solid, liquid and mixed membranes. Nonlinear finite elements (FE) and the generalized-alpha scheme are used…
A Lagrangian approach to modeling heat flux driven close-contact melting
K. Schüller, J. Kowalski
Close-contact melting refers to the process of a heat source melting its way into a phase-change material. Of special interest is the close-contact melting velocity, or more specif…
A new shell formulation for graphene structures based on existing ab-initio data
Reza Ghaffari, Thang X. Duong, Roger A. Sauer
An existing hyperelastic membrane model for graphene calibrated from ab-initio data (Kumar and Parks, 2014) is adapted to curvilinear coordinates and extended to a rotation-free sh…
Diverse anisotropy of phonon transport in two-dimensional IV-VI compounds: A comparative study
Guangzhao Qin, Zhenzhen Qin, Wu-Zhang Fang +5
New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their…
Correlations in sequences of generalized eigenproblems arising in Density Functional Theory
Edoardo Di Napoli, Stefan Blügel, Paolo Bientinesi
Density Functional Theory (DFT) is one of the most used ab initio theoretical frameworks in materials science. It derives the ground state properties of a multi-atomic ensemble dir…
Matrix Structure Exploitation in Generalized Eigenproblems Arising in Density Functional Theory
Edoardo Di Napoli, Paolo Bientinesi
In this short paper, the authors report a new computational approach in the context of Density Functional Theory (DFT). It is shown how it is possible to speed up the self-consiste…