Large-scale reverse Monte Carlo analysis for the morphologies of silica nanoparticles in end-modified rubbers based on ultra-small-angle X-ray scattering data

Hagita, Katsumi; Tominaga, T.; Sone, Takuo

doi:10.1016/j.polymer.2017.12.018

Cited by 23 publications

(27 citation statements)

References 44 publications

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“…We performed FIB-SEM observation of 3D volume data for NP-filled SBR (supplied by JSR Corporation). Note that the mechanical properties and small angle X-ray scattering curves of these specimens have been examined in detail in previous studies 32 , 35 . These volume data with 2-nm/pixel resolution were used as a reference for SR in the present study.…”

Section: Resultsmentioning

confidence: 99%

“…As specimens for FIB-SEM observation, we used NP-filled SBR without end-functionalization, supplied by JSR Corporation. Details of the SBR used in this study are given in refs 32 , 35 . The average NP diameter was 18.8 nm and the NP volume fraction in the SBR was 16%.…”

Section: Methodsmentioning

confidence: 99%

“…From the viewpoint of rubber technologies, there is a high interest in filler morphologies; the FIB-SEM observation of filler-filled PNCs is a powerful tool, as well as small-angle X-ray scattering (SAXS) experiments 32 – 35 , to observe 3D volume data of NP morphologies. Although many studies have semi-quantitatively compared the behavior of SAXS data and 2D images of SEM and/or TEM micrographs, it is, in principle, impossible to calculate scattering functions from the 2D image.…”

Section: Introductionmentioning

confidence: 99%

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Super-resolution for asymmetric resolution of FIB-SEM 3D imaging using AI with deep learning

Hagita

Higuchi

Jinnai

2018

Sci Rep

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Scanning electron microscopy equipped with a focused ion beam (FIB-SEM) is a promising three-dimensional (3D) imaging technique for nano- and meso-scale morphologies. In FIB-SEM, the specimen surface is stripped by an ion beam and imaged by an SEM installed orthogonally to the FIB. The lateral resolution is governed by the SEM, while the depth resolution, i.e., the FIB milling direction, is determined by the thickness of the stripped thin layer. In most cases, the lateral resolution is superior to the depth resolution; hence, asymmetric resolution is generated in the 3D image. Here, we propose a new approach based on an image-processing or deep-learning-based method for super-resolution of 3D images with such asymmetric resolution, so as to restore the depth resolution to achieve symmetric resolution. The deep-learning-based method learns from high-resolution sub-images obtained via SEM and recovers low-resolution sub-images parallel to the FIB milling direction. The 3D morphologies of polymeric nano-composites are used as test images, which are subjected to the deep-learning-based method as well as conventional methods. We find that the former yields superior restoration, particularly as the asymmetric resolution is increased. Our super-resolution approach for images having asymmetric resolution enables observation time reduction.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Super-resolution for asymmetric resolution of FIB-SEM 3D imaging using AI with deep learning

Hagita

Higuchi

Jinnai

2018

Sci Rep

Self Cite

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“…Besides electrostatic charges varying with grafting function, differences in interactions may be due to patch formation at the NP surface favoured by polycondensation of trifunctional as opposed to monofunctional molecules. It should be mentioned that much more ambitious reverse Monte Carlo simulations using massively parallelised code have been applied to scattering from nanocomposites made of silica dispersed in the crosslinked car-tire polymer material, styrene-butadiene rubber (SBR), recently 144. This is an industrial system, but it is discussed here due to the proximity of the RMC approaches.…”

mentioning

confidence: 99%

“…This is an industrial system, but it is discussed here due to the proximity of the RMC approaches. Hagita et al144 simulate enormous numbers of (monodisperse) NPs, typically 225 , allowing them to reproduce the scattering data and to obtain real-space pictures comparable to experimental TEM. Interestingly, they find that the changes in dispersion induced by the use of end-functionalised polymer chains is reflected in the peak of the pair-correlation function, but that the global dispersion visible as voids in TEM and simulation is better recognised by identifying free volumes in a 3D topological analysis, based on Voronoi cells.…”

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confidence: 99%

Nanoparticle self-assembly: from interactions in suspension to polymer nanocomposites

Genix

Oberdisse

2018

Soft Matter

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Recent experimental results using in particular small-angle scattering to characterize the self-assembly of mainly hard spherical nanoparticles into higher ordered structures ranging from fractal aggregates to ordered assemblies are reviewed. The crucial control of interparticle interactions is discussed, from chemical surface-modification, or the action of additives like depletion agents, to the generation of directional patches and the use of external fields. It is shown how the properties of interparticle interactions have been used to allow inducing and possibly controlling aggregation, opening the road to the generation of colloidal molecules or potentially metamaterials. In the last part, studies of the microstructure of polymer nanocomposites as an application of volume-spanning and stress-carrying aggregates are discussed.

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Aerva lanata flower extract mediated green synthesis of silver nanoparticles: Their characterization, in vitro antioxidants and antimicrobial investigations

Ganesan,

Muthukrishnan,

Albeshr

et al. 2024

Polymers for Advanced Techs

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The production of nanoparticles (NPs) using biological methods may lead to the enhancement of clean, non‐hazardous, and environmentally acceptable procedures. With this context, in the present study silver nanoparticles (AgNPs) were synthesized using the flower extract of Aerva lanata (A. lanata). The following techniques, including UV–visible spectroscopy, XRD, Scanning Electron Microscopy (SEM), and Fourier Transform Infrared Spectroscopy (FTIR), are used to study the crystalline nature, size, shape, and elemental composition of the biosynthesized AgNPs, and antimicrobial applications of the NPs also studied. In UV–visible spectroscopy results a strong absorbance peak at 425 nm confirmed the AgNPs. The SEM results confirmed the spherical shape of the NPs and their average size of 45.05 nm. X‐ray diffractometry XRD spectra confirmed the crystalline nature of the AgNPs. Against the DPPH (2,2‐diphenyl‐1‐picrylhydrazyl), nitric oxide and superoxide radicals, Alf‐AgNPs and ascorbic acid had significant scavenging effects at higher concentration of 250 μg/mL, exhibited 65.76 ± 0.41% and 86.42 ± 0.69%, 78.39 ± 0.49% and 72.72 ± 0.14% and 70.79 ± 0.87% and 72.79 ± 0.33% inhibition, respectively. As produced AgNPs had strong antibacterial and moderate antifungal activities against pathogenic test bacterial strains viz. Staphylococcus aureus (S. aureus), Bacillus subtilis (B. subtilis), Escherichia coli (E. coli), and Klebsiella pneumonia (K. pneumonia) with the maximum zone of inhibition 15 ± 1.07 mm, 12 ± 0.96 mm, 14 ± 1.05 mm, and 15 ± 2.54 mm, respectively at maximum (75 μg/mL) concentration of AgNPs, and the zone of inhibition of fungal strains Aspergillus fumigatus (A. fumigatus) (9 ± 0.67 mm) and Candida albicans (C. albicans) (7 ± 0.75 mm) at 75 μg/mL. It was eventually concluded that the biosynthesized Alf‐AgNPs showed promising antioxidant and antimicrobial agents with very low concentrations.

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Large-scale reverse Monte Carlo analysis for the morphologies of silica nanoparticles in end-modified rubbers based on ultra-small-angle X-ray scattering data

Cited by 23 publications

References 44 publications

Super-resolution for asymmetric resolution of FIB-SEM 3D imaging using AI with deep learning

Super-resolution for asymmetric resolution of FIB-SEM 3D imaging using AI with deep learning

Nanoparticle self-assembly: from interactions in suspension to polymer nanocomposites

Aerva lanata flower extract mediated green synthesis of silver nanoparticles: Their characterization, in vitro antioxidants and antimicrobial investigations

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