Mechanical properties of mesoporous ceria nanoarchitectures

    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 [email protected]

    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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