Literature DB >> 35322871

Partial radial distribution functions for a two-component glassy solid, GeSe[Formula: see text], from scattering experimental data using an artificial intelligence framework.

Felipe Silva Carvalho1, João Pedro Braga2.   

Abstract

The Hopfield neural network has been applied successfully to solve ill-posed inverse problems in simple monoatomic liquids structure using scattering experimental data to retrieve the radial distribution function, g(r), and direct correlation function, C(r). In this work, the method was extended to a more complex system: a two-component glassy solid, GeSe3. To acquire results with correct peak intensities and behavior for large values of r, it was necessary to carry out the calculations a few times by adjusting the initial conditions to solve a set of coupled equations. However, the new initial conditions are simple and can be defined based on the results obtained at each run. In this sense, the method robustness is also evident while retrieving the radial distribution function for more complex systems from experimental data.
© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.

Entities:  

Keywords:  Glassy solid; Hopfield neural network; Ill-posed problems; Radial distribution function; Scattering experimental data

Year:  2022        PMID: 35322871     DOI: 10.1007/s00894-022-05055-5

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  5 in total

1.  Diffusion coefficient distribution from NMR-DOSY experiments using Hopfield neural network.

Authors:  Rita C O Sebastião; Carlos N Pacheco; J P Braga; Dorila Piló-Veloso
Journal:  J Magn Reson       Date:  2006-06-27       Impact factor: 2.229

2.  Neural networks and physical systems with emergent collective computational abilities.

Authors:  J J Hopfield
Journal:  Proc Natl Acad Sci U S A       Date:  1982-04       Impact factor: 11.205

3.  "Neural" computation of decisions in optimization problems.

Authors:  J J Hopfield; D W Tank
Journal:  Biol Cybern       Date:  1985       Impact factor: 2.086

4.  Structure of rare-earth chalcogenide glasses by neutron and x-ray diffraction.

Authors:  James W E Drewitt; Philip S Salmon; Anita Zeidler; Chris J Benmore; Alex C Hannon
Journal:  J Phys Condens Matter       Date:  2017-04-28       Impact factor: 2.333

  5 in total

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