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Modeling the
deformation of nanocrystalline CdS nanospheres
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Nanocrystalline materials offer very high strength but
are typically
limited in their strain to failure, and efforts to improve
deformability in these materials are usually found to be at the expense
of strength. Using a combination of quantitative in situ
compression in a transmission electron microscope, the mechanical
properties of nanoparticles are directly measured on an individual
basis. The computational tools of finite element analysis (FEA) and
density functional theory (DFT) are vital for accurately interpreting the
experimental data.
Nanocrystalline
CdS synthesized into a spherical shell geometry was found to be
capable of withstanding extreme stresses (approaching the ideal shear
strength of CdS). This unusual strength enables the spherical shells to
exhibit considerable deformation to failure.
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CdS nanospheres
before
and after crushing between a silicon substrate and flat diamond punch.
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FEA was used to predict the load displacement
response of the nanospheres. The theory accurately predicts the load
vs. displacement response. It is shown that the peak shear stresses
occur in
the interiors of the spherical shells. Thus, the surfaces do not lead
to
premature failure. The strength of the nanospheres is a manifestation
of Hall-Petch strengthening, though the detailed mechanism is still not
well understood.
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Data from a
large number of experiments was
used to construct a failure criteria based on the maximum shear
stresses within the spheres. The failure criteria indicates that shear
stresses approach 2.2 GPa, making these structures remarkably strong.
DFT was used to compute the ideal shear strength of CdS to be 3 GPa.
These
nanostructures therefore reach stresses that are approximately 70%
of their ideal
shear strength before failing. The agreement between the theoretical
predictions (red triangles) and the experimental measurements (black
circles) is remarkable.
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Reference
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Z. W. Shan, G.
Adesso, A. Cabot, M. P. Sherburne, S. A. Syed Asif, O. L. Warren, D. C.
Chrzan, A. M. Minor, and A. P. Alivisatos, "Ultrahigh stress and strain
in hierarchically structured hollow nanoparticles," Nature Materials,
published online Oct. 19.
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