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SEMINAR Dr. Shingo URATA:"Applications of molecular dynamics simulations on oxide glasses and polymers in AGC inc"

Il giorno Giovedì 19 Luglio 2018, alle ore 14:30  
in aula U1.4
del dipartimento di Scienze Chimiche e Geologiche (Via G. Campi, 103 - 41125 Modena)

il Dr. Shingo URATA 
Principal Researcher della Asahi Glass Co. Innovative Technology Research Center, Yokohama, Japan

terrà il seminario:
"Applications of molecular dynamics simulations on oxide glasses and polymers in AGC inc"


Abstract: Oxide glasses are essential materials for architectures, automotive, TVs, mobile devices, and so on because of the thermally and mechanically durable properties. On the other hands, it is inherently brittle and thus fragile against collision by a sharp impactor. To improve the toughness, several techniques have been developed. For instance, chemically and thermally tempering methods, which create compressive stress on glass surface, are usually utilized to automotive windows and cover glasses of mobile phones, respectively. Finding an optimal glass composition is also effective because the brittleness can be decreased by enhancing its plasticity. Further, addition of secondary materials, such as ceramics, metals and crystals are possible reinforcement methods. In this talk, recent studies [1, 2] applying MD simulations to estimate mechanical properties of oxide glasses and understand toughening mechanisms of their composites would be introduced. In addition, several examples of MD simulations for polymers [3, 4] with respect to mechanical responses against deformation will be discussed.

[1] Urata, Shingo, and Yosuke Sato. "A study on the plasticity of soda-lime silica glass via molecular dynamics simulations." The Journal of chemical physics 147.17 (2017): 174501.
[2] Urata, Shingo, et al. "Molecular dynamics study on nano‐particles reinforced oxide glass." Journal of the American Ceramic Society 101.6 (2018): 2266-2276.
[3] Kuo, An-Tsung, et al. "Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation." Polymer 146 (2018): 53-62.
[4] Urata, Shingo, Kuo, An-Tsung and Murofushi, Hidenobu. “Origin of Flexibility of Organic-Inorganic Aerogels; Insights from Atomistic Simulations”, submitted.