Title

Mechanical Properties Of Mesoporous Ceria Nanoarchitectures

Abstract

Architectural constructs are engineered to impart desirable mechanical properties facilitating bridges spanning a thousand meters and buildings nearly 1 km in height. However, do the same ' engineering-rules’ translate to the nanoscale, where the architectural features are less than 0.0001 mm in size? Here, we calculate the mechanical properties of a porous ceramic functional material, ceria, as a function of its nanoarchitecture using molecular dynamics simulation and predict its yield strength to be almost two orders of magnitude higher than the parent bulk material. In particular, we generate models of nanoporous ceria with either a hexagonal or cubic array of one-dimensional pores and simulate their responses to mechanical load. We find that the mechanical properties are critically dependent upon the orientation between the crystal structure (symmetry, direction) and the pore structure (symmetry, direction). © the Partner Organisations 2014.

Publication Date

10-22-2014

Publication Title

Physical Chemistry Chemical Physics

Volume

16

Issue

45

Number of Pages

24899-24912

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1039/c4cp03526g

Socpus ID

84908432290 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84908432290

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