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Combining tensile test results with atomistic predictions of elastic modulus of graphene/polyamide-6,6 nanocomposites
(Elsevier, 2023-06)
In this work, we combined tensile test results with atomistic simulations to investigate the effect of filler parameters including distribution, stacking, loading and lateral graphene size on elastic moduli of graphene/PA-6,6 ...
Computational investigation of dual filler-incorporated polymer membranes for efficient CO2 and H2 separation: MOF/COF/Polymer mixed matrix membranes
(American Chemical Society, 2023-01-26)
Mixed matrix membranes (MMMs) composed of two different fillers such as metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) embedded into polymers provide enhanced gas separation performance. Since it ...
Size dependent change of mean square displacement in gold nanocrystals: A molecular dynamics simulation
(Wiley, 2023-11-01)
Thermally activated atomic vibrations significantly decrease the x-ray diffraction intensities of nanocrystalline powders. Hence their quantification is critical for accurate structural characterization of small nanocrystals ...
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