Bayesian Inference in MANTID – An Update

Vidal, Benjamin; Oram, Etuari; Baños, Raúl; Pardo, Luis Carlos; Mukhopadhyay, Sanghamitra; Fernandez-Alonso, Félix

doi:10.1088/1742-6596/1021/1/012012

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“…In QENS techniques, we measure the elastic broadening at different momentum transfer Q values, which is further used to determine the nature of diffusion. The measurement of QENS spectra has been done using the OSIRIS [46][47][48][49] indirect geometry time of flight spectrometer at ISIS. The QENS spectra have been measured at several temperatures from 300 K to 1173 K. In these experiments, the sample was heated under vacuum in a thin niobium cylindrical cell.…”

Section: Methodsmentioning

confidence: 99%

Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations

et al. 2022

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Section: Methodsmentioning

confidence: 99%

Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations

et al. 2022

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A modern approach to QENS data analysis in Mantid

Mukhopadhyay

Hewer

Howells

et al. 2019

Physica B: Condensed Matter

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Data analysis of Quasi-elastic Neutron Scattering (QENS) experiments often requires multiple steps involving fitting the elastic and quasi-elastic parts of spectra with several empirical functions and analytical models. Parameters of those models can be interdependent and also dependent on the momentum transfer vector Q. Here we present a modern data analysis interface dedicated for QENS data analysis implemented within the open source software Mantid. The interface has been implemented using the state-of-the-art design pattern Model-View-Presenter (MVP). The MVP, an architectural software design pattern, facilitates automated unit tests as well as decoupling of the business logic, presentation logic and the graphical interface. Several models are implemented for analysing both elastic and quasi-elastic parts of the dynamical scattering function S (Q, ω) and intermediate scattering function I(Q, t). To understand the nature of dynamics in a QENS experiments, several models are also implemented for elastic incoherent structure factor (EISF) and jump diffusions. The interface has been validated by analysing a sample of liquid water at room temperature. The nature of hydrogen bond dynam

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Bayesian Inference in MANTID – An Update

Cited by 2 publications

References 9 publications

Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations

Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations

A modern approach to QENS data analysis in Mantid

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Bayesian Inference in MANTID – An Update

Cited by 2 publications

References 9 publications

Sodium diffusion and dynamics in Na2Ti3O7: neutron scattering and ab initio simulations

Sodium diffusion and dynamics in Na2Ti3O7: neutron scattering and ab initio simulations

A modern approach to QENS data analysis in Mantid

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Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations

Sodium diffusion and dynamics in Na₂Ti₃O₇: neutron scattering and ab initio simulations