Reprobing the mechanism of negative thermal expansion in siliceous faujasite

Attfield, Martin P.; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Lucas, T. C. A.; Hriljac, Joseph Anthony

doi:10.1039/C5RA23827G

Title: Reprobing the mechanism of negative thermal expansion in siliceous faujasite

Journal Article · Thu Feb 11 00:00:00 EST 2016 · RSC Advances

DOI:https://doi.org/10.1039/C5RA23827G· OSTI ID:1334420

Attfield, Martin P. ^[1]; Feygenson, Mikhail ^[2]; Neuefeind, Joerg C. ^[2]; Proffen, Thomas E. ^[2]; Lucas, T. C. A. ^[3]; Hriljac, Joseph Anthony ^[3]

Univ. of Manchester (United Kingdom). Centre for Nanoporous Materials, School of Chemistry
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
Univ. of Birmingham, Edgbaston, Birmingham (United Kingdom). School of Chemistry

A combination of Rietveld refinement and PDF analysis of total neutron scattering data are used to provide further insight into the negative thermal expansion mechanism of siliceous faujasite. The negative thermal expansion mechanism of siliceous faujasite is attributed to the transverse vibrations of bridging oxygen atoms resulting in the coupled librations of the SiO₄ tetrahedra. The constituent SiO₄ tetrahedra are revealed to expand in size with temperature which is a behaviour that has not been determined directly previously and they are also shown to undergo some distortion as temperature is increased. However, these distortions are not distinct enough in any geometric manner for the average behaviour of the SiO₄ tetrahedra not to be considered as that of a rigid units. The work further displays the benefits of using total scattering experiments to unveil the finer details of dynamic thermomechanical processes within crystalline materials.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1334420

Journal Information:: RSC Advances, Vol. 6, Issue 24; ISSN 2046-2069

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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