Mechanical properties of mesoporous ceria nanoarchitectures

Sayle, T.X.T., Inkson, B.J., Möbus, G., Parker, S.C., Seal, S., Sayle, D.C. (2014) Mechanical properties of mesoporous ceria nanoarchitectures. Physical Chemistry Chemical Physics, 16 (45). pp. 24899-24912. ISSN 14639076 (ISSN). (doi:10.1039/c4cp03526g)

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). This journal is

Item Type: Article
DOI/Identification number: 10.1039/c4cp03526g
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Phys. Chem. Chem. Phys. [Field not mapped to EPrints] AD - School of Physical Sciences, University of KentCanterbury, United Kingdom [Field not mapped to EPrints] AD - NanoLAB Centre, Dept. of Materials Science and Engineering, Sheffield UniversitySheffield, United Kingdom [Field not mapped to EPrints] AD - Dept. of Chemistry, University of Bath, Claverton DownBath Avon, United Kingdom [Field not mapped to EPrints] AD - Advanced Materials Processing and Analysis Center, University of Central FloridaOrlando, FL, United States [Field not mapped to EPrints] AD - NanoScience Technology Center, University of Central FloridaOrlando, FL, United States [Field not mapped to EPrints] AD - Materials Science and Engineering and School of Medicine, University of Central FloridaOrlando, FL, United States [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QD Chemistry > QD478 Solid State Chemistry
Q Science > QD Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Dean Sayle
Date Deposited: 27 Jan 2015 15:32 UTC
Last Modified: 29 May 2019 14:06 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46768 (The current URI for this page, for reference purposes)
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