Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites Page: 11
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MODIFIED EMBEDDED ATOM METHOD STUDY OF THE...
to pure nickel for the composites with Ni/SWCNTs, how-
ever, slight increase is seen for Ni/MWCNT composite with
higher CNT volume fractions. The result indicates that Ni/
CNT composites with embedded single-walled nanotubes
with large CNT volume fraction would give slightly inferior
mechanical properties than that of pure nickel. However,
slightly enhanced mechanical properties may be expected
when MWCNT with sufficiently large diameter and volume
fractions are used.
Due to aligned CNTs, the composites show difference in
the bulk modulus along different axes. The present calcula-
tions show that the bulk modulus along the longitudinal di-
rection is much higher than the transverse directions and in-
creases with the CNT volume fractions. The shear
anisotropic factors (A1, A2, and A3) for the composites also
depend on the CNT concentrations and are found to depend
on the directions of CNT alignment. The bulk anisotropy
(AB) increases with increase in the CNT volume fraction and
CNT diameter, indicating an increase in compressibility. The
maximum value for AB is seen for Ni/MWCNT nanocompos-
ite. A decrease is seen in the shear anisotropy for composites
with larger CNT radii and volume fractions.
PHYSICAL REVIEW B 81, 104103 (2010)
The observations that (1) the Young's moduli obtained
from the atomistic simulations and rule-of-mixture agree
very well, (2) the reinforcement values, estimated from the
rate of increase in the longitudinal Young's modulus as a
function of CNT volume fraction, are remarkably high, and,
(3) the Ni and C atoms at the Ni/CNT interface move in
concert, in the direction of applied strain, suggest a very
strong Ni/CNT interface in the Ni/CNT composites.
The authors gratefully acknowledge financial support
from the Air Force Research Laboratory (Contract No.
FA8650-08-C-5226, Manager Jay Tiley). The support from
the National Science Foundation for computing infrastruc-
ture (Grants No. CHE-0342824 and No. CHE-0741936) and
for studying deformation in light-weight materials (Grant
No. CMMI-0846444), and the CASCaM for computational
sources are gratefully acknowledged. We acknowledge sup-
port from UNT through the Material Modeling Research
Cluster. We would also like to thank Kyeongjae Cho (UT-
Dallas) for providing his MEAM parameters before their
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Uddin, Jamal; Baskes, Michael I.; Srivilliputhur, Srinivasan; Cundari, Thomas R., 1964- & Wilson, Angela K. Modified embedded atom method study of the mechanical properties of carbon nanotube reinforced nickel composites, article, March 11, 2010; [College Park, Maryland]. (digital.library.unt.edu/ark:/67531/metadc107769/m1/11/: accessed October 22, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.