Title

Mechanical properties of mesoporous ceria nanoarchitectures

Authors

Authors

T. X. T. Sayle; B. J. Inkson; G. Mobus; S. C. Parker; S. Seal;D. C. Sayle

Comments

Authors: contact us about adding a copy of your work at STARS@ucf.edu

Abbreviated Journal Title

Phys. Chem. Chem. Phys.

Keywords

THIN-FILMS; SURFACES; NANOPARTICLES; DEFORMATION; OXIDES; PURE; Chemistry, Physical; Physics, Atomic, Molecular & Chemical

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 'engineeringrules' 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).

Journal Title

Physical Chemistry Chemical Physics

Volume

16

Issue/Number

45

Publication Date

1-1-2014

Document Type

Article

Language

English

First Page

24899

Last Page

24912

WOS Identifier

WOS:000344464800029

ISSN

1463-9076

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