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Computer Simulation of Nanoparticle Aggregate Fracture

Published online by Cambridge University Press:  01 February 2011

Takumi Hawa ,
Brian Henz  and
Michael Zachariah
Takumi Hawa
Affiliation:
takumi.hawa@nist.gov, National Institute of Standards and Technology, Gaithersburg, MD, 20899, United States
Brian Henz
Affiliation:
brian.j.henz@us.army.mil, U.S. Army Research Laboratory, APG, MD, 21005, United States
Michael Zachariah
Affiliation:
mrz@umd.edu, National Institute of Standards and Technology, Gaithersburg, MD, 20899, United States
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Abstract

Nanoparticle aggregates have been found to possess unique mechanical properties. Aggregates of metal nanoparticles can be strained up to 100% before failure, and even typically brittle materials are observed to have a ductile failure mode. In this effort two materials; namely silver and silicon, were chosen to represent ductile and brittle materials, respectively. Aggregates with 2 to 6 particles were simulated using the molecular dynamics (MD) algorithm to determine the stress-strain behavior of the aggregate. Many interesting observations are made including the negligible affect of strain rate on ultimate tensile strength, and the direct relationship between Young's modulus and nanoparticle size.

Keywords

cluster assemblyAgSi
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1056: Symposium HH – Nanophase and Nanocomposite Materials V , 2007 , 1056-HH08-45
Copyright
Copyright © Materials Research Society 2008

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References

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