12 citations · 20 across the 5 of their papers we have counts for
5 papers
Ontology-based knowledge graph infrastructure for interoperable atomistic simulation data
Abril Azocar Guzman, Sarath Menon, Tilmann Hickel +1
The reuse of atomistic simulation data is often limited by heterogeneous formats, incomplete metadata, and a lack of standardized representations of workflows and provenance. Here…
Automated analysis of continuum fields from atomistic simulations using statistical machine learning
Aruna Prakash, Stefan Sandfeld
Atomistic simulations of the molecular dynamics/statics kind are regularly used to study small scale plasticity. Contemporary simulations are performed with tens to hundreds of mil…
Sintering of Alumina Nanoparticles: Comparison of Interatomic Potentials, Molecular Dynamics Simulations, and Data Analysis
Shyamal Roy, Arun Prakash, Stefan Sandfeld
Sintering of alumina nanoparticles is of interest both from the view of fundamental research as well as for industrial applications. Atomistic simulations are tailor-made for under…
Grain segmentation in atomistic simulations using orientation-based iterative self-organizing data analysis
M. Vimal, S. Sandfeld, A. Prakash
Atomistic simulations have now established themselves as an indispensable tool in understanding deformation mechanisms of materials at the atomic scale. Large scale simulations are…
OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
Prince Henry Serrao, Stefan Sandfeld, Aruna Prakash
Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of material…