000893817 001__ 893817
000893817 005__ 20210810182022.0
000893817 0247_ $$2doi$$a10.1103/PhysRevMaterials.5.065601
000893817 0247_ $$2ISSN$$a2475-9953
000893817 0247_ $$2ISSN$$a2476-0455
000893817 0247_ $$2Handle$$a2128/28065
000893817 0247_ $$2altmetric$$aaltmetric:109039625
000893817 0247_ $$2WOS$$aWOS:000661932700002
000893817 037__ $$aFZJ-2021-02856
000893817 082__ $$a530
000893817 1001_ $$0P:(DE-HGF)0$$aCorona, Patrick T.$$b0
000893817 245__ $$aBayesian estimations of orientation distribution functions from small-angle scattering enable direct prediction of mechanical stress in anisotropic materials
000893817 260__ $$aCollege Park, MD$$bAPS$$c2021
000893817 3367_ $$2DRIVER$$aarticle
000893817 3367_ $$2DataCite$$aOutput Types/Journal article
000893817 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1625898366_30350
000893817 3367_ $$2BibTeX$$aARTICLE
000893817 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000893817 3367_ $$00$$2EndNote$$aJournal Article
000893817 520__ $$aProperties of soft materials are influenced by their anisotropic structuring under nonequilibrium fields. Although anisotropic structure-property relationships have been extensively explored theoretically, comparison to experiments requires determination of the microstructural orientation probability distribution function (OPDF) of microstructural elements. Small angle scattering (SAS) measurements encode information about the OPDF, but tools to navigate this connection are incomplete. Here, we develop and validate an explicit framework to link arbitrary OPDFs to SAS measurements. Specifically, we propose, validate, and apply a method, maximum a posteriori scattering inference (MAPSI), whereby the OPDF may be obtained from SAS measurements using a Bayesian estimation method. Using this method, we obtain estimates of the full 3D OPDF for two model semidilute fd-virus (rodlike) dispersions at concentrations that are approximately equal to and twice the overlap concentration. From the OPDF, we calculate its second and fourth moments and compare these to predictions for a dilute suspension of rigid rods and to a recent theory for semidilute suspensions. Finally, we use both the theoretical and measured moments to calculate the stress, both for dilute and semidilute suspensions. These predictions are not only compared to each other, but also to measured values of the shear stress, and point to new insights into the behavior of suspensions of highly elongated particles in the transition between dilute and semidilute behavior. We also use this new framework to provide perspective on the connection between scalar parameterizations of scattering and the OPDF that have frequently been used in the past. The new tools developed in this work provide an unprecedented path toward experimental validation of dynamical theories of rodlike colloids and polymers, and for measurement of nonequilibrium structures and stresses of other complex fluids and soft materials with SAS.
000893817 536__ $$0G:(DE-HGF)POF4-5243$$a5243 - Information Processing in Distributed Systems (POF4-524)$$cPOF4-524$$fPOF IV$$x0
000893817 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
000893817 7001_ $$0P:(DE-HGF)0$$aSilmore, Kevin S.$$b1
000893817 7001_ $$00000-0001-7622-2812$$aAdkins, Raymond$$b2
000893817 7001_ $$0P:(DE-Juel1)168105$$aLang, Christian$$b3
000893817 7001_ $$0P:(DE-Juel1)130797$$aLettinga, M. P.$$b4
000893817 7001_ $$0P:(DE-HGF)0$$aSwan, James W.$$b5
000893817 7001_ $$0P:(DE-HGF)0$$aLeal, L. Gary$$b6
000893817 7001_ $$00000-0001-9384-4023$$aHelgeson, Matthew E.$$b7$$eCorresponding author
000893817 773__ $$0PERI:(DE-600)2898355-5$$a10.1103/PhysRevMaterials.5.065601$$gVol. 5, no. 6, p. 065601$$n6$$p065601$$tPhysical review materials$$v5$$x2475-9953$$y2021
000893817 8564_ $$uhttps://juser.fz-juelich.de/record/893817/files/PhysRevMaterials.5.065601.pdf$$yOpenAccess
000893817 909CO $$ooai:juser.fz-juelich.de:893817$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000893817 9101_ $$0I:(DE-HGF)0$$60000-0001-7622-2812$$aExternal Institute$$b2$$kExtern
000893817 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)168105$$aForschungszentrum Jülich$$b3$$kFZJ
000893817 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130797$$aForschungszentrum Jülich$$b4$$kFZJ
000893817 9131_ $$0G:(DE-HGF)POF4-524$$1G:(DE-HGF)POF4-520$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5243$$aDE-HGF$$bKey Technologies$$lNatural, Artificial and Cognitive Information Processing$$vMolecular and Cellular Information Processing$$x0
000893817 9141_ $$y2021
000893817 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2021-01-27
000893817 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000893817 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bPHYS REV MATER : 2019$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000893817 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2021-01-27
000893817 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2021-01-27
000893817 920__ $$lyes
000893817 9201_ $$0I:(DE-Juel1)IBI-4-20200312$$kIBI-4$$lBiomakromolekulare Systeme und Prozesse$$x0
000893817 980__ $$ajournal
000893817 980__ $$aVDB
000893817 980__ $$aUNRESTRICTED
000893817 980__ $$aI:(DE-Juel1)IBI-4-20200312
000893817 9801_ $$aFullTexts