Center for Molecular Modeling - C.R. Siviour https://molmod.ugent.be/publication-authors/cr-siviour en High-rate nanofluidic energy absorption in porous zeolitic frameworks https://molmod.ugent.be/publications/high-rate-nanofluidic-energy-absorption-porous-zeolitic-frameworks <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> Y. Sun, S.M.J. Rogge, A. Lamaire, S. Vandenbrande, J. Wieme, C.R. Siviour, V. Van Speybroeck, J.-C. Tan </span> </div> <div class="field field-name-field-journal-title field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> Nature Materials </span> </div> <div class="field field-name-field-vol-iss field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">20 (7), 1015–1023 </div> </div> </div> <div class="field field-name-field-a1year field-type-datestamp field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2021-01-01T00:00:00+01:00">2021</span></div> </div> </div> <div class="field field-name-field-a1-type field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">A1</div> </div> </div> <div class="field field-name-field-not-a-cmm-publication field-type-list-boolean field-label-hidden"> <div class="field-items"> <div class="field-item even"></div> </div> </div> <div class="field field-name-field-cover field-type-image field-label-hidden"> <div class="field-items"> <div class="field-item even"><img typeof="foaf:Image" src="//molmod.ugent.be/sites/default/files/styles/cover/public/CoverImage.png?itok=8X8niE82" width="270" height="358" alt="" /></div> </div> </div> <div class="field field-name-body field-type-text-with-summary field-label-above"> <h3><div class="field-label">Abstract&nbsp;</div></h3> <div class="field-items"> <div class="field-item even" property="content:encoded"><div class="tex2jax"><p>Optimal mechanical impact absorbers are reusable and exhibit high specific energy absorption. The forced intrusion of liquid water in hydrophobic nanoporous materials, such as zeolitic imidazolate frameworks (ZIFs), presents an attractive pathway to engineer such systems. However, to harness their full potential, it is crucial to understand the underlying water intrusion and extrusion mechanisms under realistic, high-rate deformation conditions. Here, we report a critical increase of the energy absorption capacity of confined water-ZIF systems at elevated strain rates. Starting from ZIF-8 as proof-of-concept, we demonstrate that this attractive rate dependence is generally applicable to cage-type ZIFs but disappears for channel-containing zeolites. Molecular simulations reveal that this phenomenon originates from the intrinsic nanosecond timescale needed for critical-sized water clusters to nucleate inside the nanocages, expediting water transport through the framework. Harnessing this fundamental understanding, design rules are formulated to construct effective, tailorable and reusable impact energy absorbers for challenging new applications.</p> </div></div> </div> </div> <div class="field field-name-field-open-access field-type-list-boolean field-label-hidden"> <div class="field-items"> <div class="field-item even"></div> </div> </div> <div class="field field-name-field-doi field-type-text field-label-above"> <h3><div class="field-label">DOI&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://dx.doi.org/10.1038/s41563-021-00977-6">http://dx.doi.org/10.1038/s41563-021-00977-6</a></p> </div></div> </div> </div> <div class="field field-name-field-a1-file field-type-file field-label-above"> <h3><div class="field-label">Private attachment&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/s41563-021-00977-6.pdf" type="application/pdf; length=3808081">s41563-021-00977-6.pdf</a></span></div> </div> </div> Thu, 22 Apr 2021 19:37:50 +0000 sven 5756 at https://molmod.ugent.be https://molmod.ugent.be/publications/high-rate-nanofluidic-energy-absorption-porous-zeolitic-frameworks#comments Harder, better, faster, stronger: Designing hydrophobic cage-type materials as efficient high-rate shock absorbers https://molmod.ugent.be/c1_c3_publications/harder-better-faster-stronger-designing-hydrophobic-cage-type-materials-efficient <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/smj-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.M.J. Rogge</a>, <a href="/publication-authors/y-sun" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Y. Sun</a>, <a href="/publication-authors/lamaire" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Lamaire</a>, <a href="/publication-authors/s-vandenbrande" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Vandenbrande</a>, <a href="/publication-authors/j-wieme" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Wieme</a>, <a href="/publication-authors/cr-siviour" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C.R. Siviour</a>, <a href="/publication-authors/j-c-tan" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.-C. Tan</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">EuroMOF2021</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Online</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2021-09-15T00:00:00+02:00">Wednesday, 15 September, 2021</span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/euromof2021" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EuroMOF2021</a> </span> </div> Fri, 17 Sep 2021 09:07:33 +0000 sven 5815 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/harder-better-faster-stronger-designing-hydrophobic-cage-type-materials-efficient#comments