Hierarchical optimization for neutron scattering problems

Journal Article (Academic article)

We present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

Full Text

Duke Authors

Cited Authors

  • Bao, F; Archibald, R; Bansal, D; Delaire, O

Published Date

  • June 15, 2016

Published In

Volume / Issue

  • 315 /

Start / End Page

  • 39 - 39

Published By


  • 51

International Standard Serial Number (ISSN)

  • 1001-246X

Digital Object Identifier (DOI)

  • 10.1016/j.jcp.2016.03.017