Investigation of the Negative Thermal Expansion Mechanism of Zeolite Chabazite Using the Pair Distribution Function Method

2005 ◽  
Vol 109 (19) ◽  
pp. 9389-9396 ◽  
Author(s):  
María M. Martínez-Iñesta ◽  
Raúl F. Lobo
Keyword(s):  
Thermal Expansion ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Method ◽  
Negative Thermal Expansion ◽  
Expansion Mechanism

scholarly journals Reprobing the mechanism of negative thermal expansion in siliceous faujasite

RSC Advances ◽  
2016 ◽  
Vol 6 (24) ◽  
pp. 19903-19909 ◽  
Author(s):  
M. P. Attfield ◽  
M. Feygenson ◽  
J. C. Neuefeind ◽  
T. E. Proffen ◽  
T. C. A. Lucas ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Distribution Function ◽  
Neutron Scattering ◽  
Rietveld Refinement ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Negative Thermal Expansion ◽  
Scattering Data ◽  
Total Neutron ◽  
Expansion Mechanism

Combined Rietveld refinement and pair distribution function analysis of total neutron scattering data unveils the finer details of the negative thermal expansion mechanism of siliceous faujasite.

Pair Distribution Function as a Probe for Zeolite Structures

2004 ◽  
Vol 840 ◽  
Author(s):  
María M. Martínez-Iñesta ◽  
Raúl F. Lobo
Keyword(s):  
Thermal Expansion ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Negative Thermal Expansion ◽  
Zeolite Beta ◽  
Structural Problems ◽  
Alkylation Of Benzene ◽  
Complex Structural ◽  
The Individual

ABSTRACTIn this article we describe how we have used the pair distribution function of zeolites to solve complex structural problems. A first study was dedicated to refining the structure of disordered zeolite beta, a zeolite that is used in the alkylation of benzene. A second study is a work in progress geared toward the determination of the mechanism of negative thermal expansion of zeolite chabazite, which has been found to be one of the most contracting materials known. Preliminary results suggest that the individual Si-Ox distances and Ox-Si-Ox angles in the tetrahedral are deformed with temperature while the average tetrahedra dimensions stay constant.

First-principles study of negative thermal expansion mechanism in A-site-ordered perovskite SrCu3Fe4O12

RSC Advances ◽  
2015 ◽  
Vol 5 (3) ◽  
pp. 1801-1807 ◽  
Author(s):  
Hongping Li ◽  
Shuai Liu ◽  
Lin Chen ◽  
Jiandong Zhao ◽  
Beibei Chen ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Thermal Expansion ◽  
First Principles ◽  
Negative Thermal Expansion ◽  
First Principles Study ◽  
Electrical And Magnetic Properties ◽  
Expansion Mechanism ◽  
A Site

We investigate electrical and magnetic properties of an A-site-ordered perovskite SrCu3Fe4O12 and clarify its negative thermal expansion mechanism.

Thermal expansion of a glassy alloy studied using a real-space pair distribution function

2006 ◽  
Vol 88 (12) ◽  
pp. 121926 ◽  
Author(s):  
Dmitri V. Louzguine-Luzgin ◽  
Akihisa Inoue ◽  
Alain R. Yavari ◽  
Gavin Vaughan
Keyword(s):  
Thermal Expansion ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
Glassy Alloy ◽  
Real Space

Theoretical study of negative thermal expansion mechanism of ZnF2

2012 ◽  
Vol 47 (5) ◽  
pp. 1113-1118 ◽  
Author(s):  
Lei Wang ◽  
Peng-Fei Yuan ◽  
Fei Wang ◽  
Qiang Sun ◽  
Er-Jun Liang ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Theoretical Study ◽  
Negative Thermal Expansion ◽  
Expansion Mechanism

scholarly journals Framework flexibility and the negative thermal expansion mechanism of copper(I) oxideCu2O

2014 ◽  
Vol 89 (21) ◽  
Author(s):  
Leila H. N. Rimmer ◽  
Martin T. Dove ◽  
Björn Winkler ◽  
Dan J. Wilson ◽  
Keith Refson ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Negative Thermal Expansion ◽  
Expansion Mechanism
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