Octave program for fitting quasi-elastic neutron scattering data

Laurence (Laurie) P. Aldridge; Simon R. Larsen; Heloisa N. Bordallo

doi:10.1016/j.physb.2018.12.027

Octave program for fitting quasi-elastic neutron scattering data

Laurence (Laurie) P. Aldridge, Simon R. Larsen, Heloisa N. Bordallo^*

^*Corresponding author for this work

Xray and Neutron Science

2 Citations (Scopus)

Abstract

Here we describe a new program, written in Octave version 4.2.1, freely available to run in both Linux and Windows systems, called ZTR.m. ZTR.m is one of a series designed to exclusively mimic and model quasielastic neutron scattering (QENS) data on water, ranging from that confined in nano-pores to bulk water. This program promptly allows for visualising initial fitting results, including modelling of the experimental spectra and evolution of the diffusion coefficients vs scattering vector, Q. As example, QENS spectra obtained using the time of flight spectrometer PELICAN at ANSTO from a clay that has been stored over a saturated solution has been used to demonstrated how ZTR.m correctly describes the dynamics of water in confinement.

Original language	English
Journal	Physica B: Condensed Matter
Volume	561
Pages (from-to)	75-78
Number of pages	4
ISSN	0921-4526
DOIs	https://doi.org/10.1016/j.physb.2018.12.027
Publication status	Published - 15 May 2019

Keywords

Confined water
Fitting QENS program
Rotational diffusion
Translational diffusion

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10.1016/j.physb.2018.12.027

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title = "Octave program for fitting quasi-elastic neutron scattering data",

abstract = "Here we describe a new program, written in Octave version 4.2.1, freely available to run in both Linux and Windows systems, called ZTR.m. ZTR.m is one of a series designed to exclusively mimic and model quasielastic neutron scattering (QENS) data on water, ranging from that confined in nano-pores to bulk water. This program promptly allows for visualising initial fitting results, including modelling of the experimental spectra and evolution of the diffusion coefficients vs scattering vector, Q. As example, QENS spectra obtained using the time of flight spectrometer PELICAN at ANSTO from a clay that has been stored over a saturated solution has been used to demonstrated how ZTR.m correctly describes the dynamics of water in confinement.",

keywords = "Confined water, Fitting QENS program, Rotational diffusion, Translational diffusion",

author = "Aldridge, {Laurence (Laurie) P.} and Larsen, {Simon R.} and Bordallo, {Heloisa N.}",

year = "2019",

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doi = "10.1016/j.physb.2018.12.027",

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TY - JOUR

T1 - Octave program for fitting quasi-elastic neutron scattering data

AU - Aldridge, Laurence (Laurie) P.

AU - Larsen, Simon R.

AU - Bordallo, Heloisa N.

PY - 2019/5/15

Y1 - 2019/5/15

N2 - Here we describe a new program, written in Octave version 4.2.1, freely available to run in both Linux and Windows systems, called ZTR.m. ZTR.m is one of a series designed to exclusively mimic and model quasielastic neutron scattering (QENS) data on water, ranging from that confined in nano-pores to bulk water. This program promptly allows for visualising initial fitting results, including modelling of the experimental spectra and evolution of the diffusion coefficients vs scattering vector, Q. As example, QENS spectra obtained using the time of flight spectrometer PELICAN at ANSTO from a clay that has been stored over a saturated solution has been used to demonstrated how ZTR.m correctly describes the dynamics of water in confinement.

AB - Here we describe a new program, written in Octave version 4.2.1, freely available to run in both Linux and Windows systems, called ZTR.m. ZTR.m is one of a series designed to exclusively mimic and model quasielastic neutron scattering (QENS) data on water, ranging from that confined in nano-pores to bulk water. This program promptly allows for visualising initial fitting results, including modelling of the experimental spectra and evolution of the diffusion coefficients vs scattering vector, Q. As example, QENS spectra obtained using the time of flight spectrometer PELICAN at ANSTO from a clay that has been stored over a saturated solution has been used to demonstrated how ZTR.m correctly describes the dynamics of water in confinement.

KW - Confined water

KW - Fitting QENS program

KW - Rotational diffusion

KW - Translational diffusion

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U2 - 10.1016/j.physb.2018.12.027

DO - 10.1016/j.physb.2018.12.027

M3 - Journal article

AN - SCOPUS:85062610699

SN - 0921-4526

VL - 561

SP - 75

EP - 78

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

ER -

Octave program for fitting quasi-elastic neutron scattering data

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Keywords

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