ArticleRSC advances2019
Computational characterization of the structural and mechanical properties of nanoporous titania.
Article in RSC advances, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 authors at 1 institution in 1 country.
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Abstract
Nanoporous titania is one of the most commonly used biomaterials with good biocompatibility and mechanical strength. Understanding to the influence of pore structures on their performances is crucial for the design and preparation of titania-based materials. Two kinds of structural models for nanoporous titania were constructed and used to investigate the effect of pore size and/or porosity on their mechanical properties by using molecular dynamic simulations with the Matsui-Akaogi potentials. The porous structures were relaxed and their elastic constants were computed and used to evaluated their bulk, shear and Young's moduli. Overlap effect in small pores, pore size and porosity have considerable influence on computed elastic moduli. Compared to bulk rutile TiO
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