Development of a reduced model of formation reactions in Zr-Al nanolaminates

Handle URI:
http://hdl.handle.net/10754/552276
Title:
Development of a reduced model of formation reactions in Zr-Al nanolaminates
Authors:
Vohra, Manav ( 0000-0003-4135-7025 ) ; Winokur, Justin; Overdeep, Kyle R.; Marcello, Paul; Weihs, Timothy P.; Knio, Omar
Abstract:
A computational model of anaerobic reactions in metallic multilayered systems with an equimolar composition of zirconium and aluminum is developed. The reduced reaction formalism of M. Salloum and O. M. Knio, Combust. Flame 157(2): 288–295 (2010) is adopted. Attention is focused on quantifying intermixing rates based on experimental measurements of uniform ignition as well as measurements of self-propagating front velocities. Estimates of atomic diffusivity are first obtained based on a regression analysis. A more elaborate Bayesian inference formalism is then applied in order to assess the impact of uncertainties in the measurements, potential discrepancies between predictions and observations, as well as the sensitivity of predictions to inferred parameters. Intermixing rates are correlated in terms of a composite Arrhenius law, which exhibits a discontinuity around the Al melting temperature. Analysis of the predictions indicates that Arrhenius parameters inferred for the low-temperature branch lie within a tight range, whereas the parameters of the high-temperature branch are characterized by higher uncertainty. The latter is affected by scatter in the experimental measurements, and the limited range of bilayers where observations are available. For both branches, the predictions exhibit higher sensitivity to the activation energy than the pre-exponent, whose posteriors are highly correlated.
KAUST Department:
Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
Citation:
Development of a reduced model of formation reactions in Zr-Al nanolaminates 2014, 116 (23):233501 Journal of Applied Physics
Publisher:
AIP Publishing
Journal:
Journal of Applied Physics
Issue Date:
15-Dec-2014
DOI:
10.1063/1.4903816
Type:
Article
ISSN:
0021-8979; 1089-7550
Additional Links:
http://scitation.aip.org/content/aip/journal/jap/116/23/10.1063/1.4903816
Appears in Collections:
Articles; Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorVohra, Manaven
dc.contributor.authorWinokur, Justinen
dc.contributor.authorOverdeep, Kyle R.en
dc.contributor.authorMarcello, Paulen
dc.contributor.authorWeihs, Timothy P.en
dc.contributor.authorKnio, Omaren
dc.date.accessioned2015-05-05T08:38:24Zen
dc.date.available2015-05-05T08:38:24Zen
dc.date.issued2014-12-15en
dc.identifier.citationDevelopment of a reduced model of formation reactions in Zr-Al nanolaminates 2014, 116 (23):233501 Journal of Applied Physicsen
dc.identifier.issn0021-8979en
dc.identifier.issn1089-7550en
dc.identifier.doi10.1063/1.4903816en
dc.identifier.urihttp://hdl.handle.net/10754/552276en
dc.description.abstractA computational model of anaerobic reactions in metallic multilayered systems with an equimolar composition of zirconium and aluminum is developed. The reduced reaction formalism of M. Salloum and O. M. Knio, Combust. Flame 157(2): 288–295 (2010) is adopted. Attention is focused on quantifying intermixing rates based on experimental measurements of uniform ignition as well as measurements of self-propagating front velocities. Estimates of atomic diffusivity are first obtained based on a regression analysis. A more elaborate Bayesian inference formalism is then applied in order to assess the impact of uncertainties in the measurements, potential discrepancies between predictions and observations, as well as the sensitivity of predictions to inferred parameters. Intermixing rates are correlated in terms of a composite Arrhenius law, which exhibits a discontinuity around the Al melting temperature. Analysis of the predictions indicates that Arrhenius parameters inferred for the low-temperature branch lie within a tight range, whereas the parameters of the high-temperature branch are characterized by higher uncertainty. The latter is affected by scatter in the experimental measurements, and the limited range of bilayers where observations are available. For both branches, the predictions exhibit higher sensitivity to the activation energy than the pre-exponent, whose posteriors are highly correlated.en
dc.publisherAIP Publishingen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/jap/116/23/10.1063/1.4903816en
dc.rightsArchived with thanks to Journal of Applied Physicsen
dc.titleDevelopment of a reduced model of formation reactions in Zr-Al nanolaminatesen
dc.typeArticleen
dc.contributor.departmentComputer, Electrical and Mathematical Sciences and Engineering (CEMSE) Divisionen
dc.identifier.journalJournal of Applied Physicsen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Mechanical Engineering and Materials Science Duke University Durham, North Carolina 27708, USAen
dc.contributor.institutionDepartment of Mechanical Engineering and Materials Science Duke University Durham, North Carolina 27708, USAen
dc.contributor.institutionDepartment of Materials Science and Engineering Johns Hopkins University Baltimore, Maryland 21218, USAen
dc.contributor.institutionDepartment of Materials Science and Engineering Johns Hopkins University Baltimore, Maryland 21218, USAen
dc.contributor.institutionDepartment of Materials Science and Engineering Johns Hopkins University Baltimore, Maryland 21218, USAen
dc.contributor.institutionDepartment of Mechanical Engineering and Materials Science Duke University Durham, North Carolina 27708, USAen
kaust.authorKnio, Omaren
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