162 citations · 165 across the 10 of their papers we have counts for
14 papers
AMGenC: Generating Charge Balanced Amorphous Materials
Yan Lin, Jilin Hu, N. M. Anoop Krishnan +1
Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystal…
AMShortcut: An Inference- and Training-Efficient Inverse Design Model for Amorphous Materials
Yan Lin, Jonas A. Finkler, Tao Du +2
Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells…
Connecting bond switching to fracture toughness of calcium aluminosilicate glasses
Sidsel Mulvad Johansen, Tao Du, Johan F. S. Christensen +5
Fracture toughness is a critical mechanical property of glasses, but a detailed understanding of its link to composition and structure is still missing. Here, focusing on the indus…
In situ mapping of indentation-induced densification and cracking in vitreous silica by nanofocus X-ray scattering
Johan F. S. Christensen, M. Faizal Ussama Jalaludeen, Søren S. Sørensen +9
The practical strength of oxide glasses is greatly reduced by surface flaws that form during processing and use. Instrumented indentation can mimic such real-life damage events and…
Transferable potential for molecular dynamics simulations of borosilicate glasses and structural comparison of machine learning optimized parameters
Kai Yang, Ruoxia Chen, Anders K. R. Christensen +4
The simulation of borosilicate glasses is challenging due to the composition and temperature dependent coordination state of boron atoms. Here, we present a newly developed machine…
Optimization of Transferable Interatomic Potentials for Glasses toward Experimental Properties
Ruoxia Chen, Kai Yang, Morten M. Smedskjaer +3
The accuracy of molecular simulations is fundamentally limited by the interatomic potentials that govern atomic interactions. Traditional potential development, which relies heavil…