The study of disorder and nanocrystallinity in C–S–H, supplementary cementitious materials and geopolymers using pair distribution function analysis

Handle URI:
http://hdl.handle.net/10754/599970
Title:
The study of disorder and nanocrystallinity in C–S–H, supplementary cementitious materials and geopolymers using pair distribution function analysis
Authors:
Meral, Cagla; Benmore, C.J.; Monteiro, Paulo J.M.
Abstract:
Significant progress was achieved with the application of Rietveld method to characterize the crystalline phases in portland cement paste. However, to obtain detailed information on the amorphous or poorly crystalline phases, it is necessary to analyze the total scattering data. The pair distribution function (PDF) method has been successfully used in the study of liquids and amorphous solids. The method takes the Sine Fourier transform of the measured structure factor over a wide momentum transfer range, providing a direct measure of the probability of finding an atom surrounding a central atom at a radial distance away. The obtained experimental characteristic distances can be also used to validate the predictions by the theoretical models, such as, molecular dynamics, ab initio simulations and density functional theory. The paper summarizes recent results of PDF analysis on silica fume, rice husk ash, fly ash, ASR gel, C-S-H and geopolymers. © 2011 Elsevier Ltd. All rights reserved.
Citation:
Meral C, Benmore CJ, Monteiro PJM (2011) The study of disorder and nanocrystallinity in C–S–H, supplementary cementitious materials and geopolymers using pair distribution function analysis. Cement and Concrete Research 41: 696–710. Available: http://dx.doi.org/10.1016/j.cemconres.2011.03.027.
Publisher:
Elsevier BV
Journal:
Cement and Concrete Research
KAUST Grant Number:
KUS-l1-004021
Issue Date:
Jul-2011
DOI:
10.1016/j.cemconres.2011.03.027
Type:
Article
ISSN:
0008-8846
Sponsors:
This work was supported by the U.S. DOE, Argonne National Laboratory under contract number DE-AC02-06CH11357. This publication was based on work supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST) and by NIST Grant 60NANB10D014. Also, thanks to Dr. L.B. Skinner, Dr. C. Erdonmez, Dr. B. Ercan, Dr. S. Soyer-Uzun and Dr. C. White for their valuable discussions during the production of this paper.
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Full metadata record

DC FieldValue Language
dc.contributor.authorMeral, Caglaen
dc.contributor.authorBenmore, C.J.en
dc.contributor.authorMonteiro, Paulo J.M.en
dc.date.accessioned2016-02-28T06:33:31Zen
dc.date.available2016-02-28T06:33:31Zen
dc.date.issued2011-07en
dc.identifier.citationMeral C, Benmore CJ, Monteiro PJM (2011) The study of disorder and nanocrystallinity in C–S–H, supplementary cementitious materials and geopolymers using pair distribution function analysis. Cement and Concrete Research 41: 696–710. Available: http://dx.doi.org/10.1016/j.cemconres.2011.03.027.en
dc.identifier.issn0008-8846en
dc.identifier.doi10.1016/j.cemconres.2011.03.027en
dc.identifier.urihttp://hdl.handle.net/10754/599970en
dc.description.abstractSignificant progress was achieved with the application of Rietveld method to characterize the crystalline phases in portland cement paste. However, to obtain detailed information on the amorphous or poorly crystalline phases, it is necessary to analyze the total scattering data. The pair distribution function (PDF) method has been successfully used in the study of liquids and amorphous solids. The method takes the Sine Fourier transform of the measured structure factor over a wide momentum transfer range, providing a direct measure of the probability of finding an atom surrounding a central atom at a radial distance away. The obtained experimental characteristic distances can be also used to validate the predictions by the theoretical models, such as, molecular dynamics, ab initio simulations and density functional theory. The paper summarizes recent results of PDF analysis on silica fume, rice husk ash, fly ash, ASR gel, C-S-H and geopolymers. © 2011 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipThis work was supported by the U.S. DOE, Argonne National Laboratory under contract number DE-AC02-06CH11357. This publication was based on work supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST) and by NIST Grant 60NANB10D014. Also, thanks to Dr. L.B. Skinner, Dr. C. Erdonmez, Dr. B. Ercan, Dr. S. Soyer-Uzun and Dr. C. White for their valuable discussions during the production of this paper.en
dc.publisherElsevier BVen
dc.subjectB: amorphous materialen
dc.subjectC: alkali-aggregate reactionen
dc.subjectCalcium-Silicate-Hydrate (C-S-H)en
dc.subjectGeopolymeren
dc.subjectX-ray diffractionen
dc.titleThe study of disorder and nanocrystallinity in C–S–H, supplementary cementitious materials and geopolymers using pair distribution function analysisen
dc.typeArticleen
dc.identifier.journalCement and Concrete Researchen
dc.contributor.institutionUC Berkeley, Berkeley, United Statesen
dc.contributor.institutionArgonne National Laboratory, Argonne, United Statesen
kaust.grant.numberKUS-l1-004021en
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