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Chapter
Molecular Dynamics
This chapter outlines approaches to the hyperordered structures using molecular dynamics simulations. Molecular dynamics is a simulation technique that can be applied to a wide range of materials, from protein...
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Article
Self-growth of silver tree-like fractal structures with different geometries
Silver tree-like fractal structures are self-grown, where needle growths and branching are iterated, via rapid reduction of silver ions in a solution. Many self-similar frameworks exist at different scales in ...
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Article
Open AccessPublisher Correction: Low melting oxide glasses prepared at a melt temperature of 500 °C
An amendment to this paper has been published and can be accessed via a link at the top of the paper.
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Article
Open AccessExamination of structure and optical properties of Ce3+-doped strontium borate glass by regression analysis
Amorphous materials with non-periodic structures are commonly evaluated based on their chemical composition, which is not always the best parameter to evaluate physical properties, and an alternative parameter...
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Article
Open AccessLow melting oxide glasses prepared at a melt temperature of 500 °C
Transparent low-melting inorganic glass is an attractive industrial material based on its high thermal and light resistance compared with conventional engineering plastics. If the melting temperature of inorga...
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Article
Open AccessPhotocatalytic hydrogen generation of monolithic porous titanium oxide-based glass–ceramics
A large relative surface area is crucial for high catalytic activity. Monolithic catalysts are important catalytic materials because of minimal self-degradation. Regarding large surface area catalysts, the gla...
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Article
Open AccessMolecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores
The porous structure and mass transport characteristics of disordered silicate porous media were investigated via a geometry based analysis of water confined in the pores. Disordered silicate porous media were...
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Article
Open AccessFormation of metallic cation-oxygen network for anomalous thermal expansion coefficients in binary phosphate glass
Understanding glass structure is still challenging due to the result of disorder, although novel materials design on the basis of atomistic structure has been strongly demanded. Here we report on the atomic st...
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Article
Molecular dynamics simulations of nafion and sulfonated poly ether sulfone membranes II. Dynamic properties of water and hydronium
We measured the self-diffusion coefficients of water in a Nafion membrane and two sulfonated polyethersulfone (SPES) membranes with varying ion-exchange capacities (IEC) in terms of relative humidity using the...
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Article
Understanding properties of copoly(arylene ether nitrile)s high-performance polymer electrolyte membranes for fuel cells from molecular dynamics simulations
Sulfonated poly(arylene ether ether nitrile) (m-SPAEEN) copolymers are reported to have the property of reduced water uptake compared with other hydrocarbon membranes, such as sulfonated polysulfones or polyke...
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Article
Molecular dynamics simulations of Nafion and sulfonated polyether sulfone membranes. I. Effect of hydration on aqueous phase structure
We measured the water uptakes and proton conductivities of a Nafion membrane and three sulfonated polyether sulfone membranes (SPESs) with different values of ion-exchange capacity (IEC = 0.75, 1.0 and 1.4 meq...
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Article
Tortuosity based on Anisotropic Diffusion Process in Structured Plate-like Obstacles by Monte Carlo Simulation
The diffusion of fluids in porous media, composed of regularly aligned plate-like obstacles, was studied by Monte Carlo simulation. The diffusion coefficients and all diagonal components of the diffusion tenso...
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Article
Nanospace Molecular Science and Adsorption
The relationships between the enhanced interaction potential and intensive confinement effect of slit-shaped and cylindrical nanospaces are shown. The structures of water molecules and aqueous ions confined in...
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Article
Structural Analyses of Layer Structure in Na-Montmorillonite using NMR
The analyses of layer structure in Na-montmorillonite have been performed using 27Al MAS and 27Al Multi Quantum (MQ) MAS NMR techniques. In 27Al 5QMAS NMR spectra measured at higher magnetic field of 16.4 T, two ...
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Article
Observation of Two 4-Coordinated Al Sites in Montmorillonite using High Magnetic Field Strength 27Al MQMAS NMR
Analyses of the layer structure of Na-montmorillonite have been performed using 27Al MAS and 27Al MQMAS NMR techniques. Results of 27Al MAS NMR measurements at higher magnetic field strength (16.4 T) suggest that...
