The nanomechanics virtual laboratory provides experimentalists and modelers a platform from which to simulate experimental microscopy and diffraction based on molecular dynamic simulations of nanostructured materials.

Contact: Rémi Dingreville

Research Highlights:
Decoding defect statistics from diffractograms via machine learning
Kunka, C.; Shanker, A.; Chen, E. Y.; Kalidindi, S. R.; Dingreville, R. npj Computational Materials 2021, 7 (1). doi.org/10.1038/s41524-021-00539-z

Revealing inconsistencies in X-ray width methods for nanomaterials
Kunka, C.; Boyce, B. L.; Foiles, S. M.; Dingreville, R. Nanoscale 2019, 11 (46), 22456–22466. doi.org/10.1039/C9NR08268A

Characterizing single isolated radiation-damage events from molecular dynamics via virtual diffraction methods
Stewart, J. A.; Brookman, G.; Price, P.; Franco, M.; Ji, W.; Hattar, K.; Dingreville, R. Journal of Applied Physics 2018, 123 (16), 165902. doi.org/10.1063/1.5022471