Thermal conductivity of the damaged gold nanowires

Navin Kumar, Kishore Pochiraju

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

The damage propagation and the thermal conductivity of a gold nanowire are studied using molecular dynamics methods. The frequency spectra of stresses in the wire are also investigated for persistent features that correlate with bulk material behavior. The material is modeled using atomic scale representative volume elements with a finite dimension along one dimension and infinite dimensions in two others. The initial state temperature, pressure and volume states for the material are determined using a slow and sequential equilibrium procedure that produces a convergent energy and stress states. Finite size cracks surfaces are artificially created and the changes in the dynamic stress states are observed. The frequencies of the dominant modes and the amplitude of the stress at these modes are described. The shift in the frequency of the lowest dominant mode due to cracking and the increase in the concentration show some of the persistent features expected in the stress state due to the presence of a crack. At selected load steps the wire is mechanically equilibriated and thermal conductivity is measured. In order to measure the thermal conductivity a temperature gradient is established across a simulation domain by adding heat to one group of atoms (hot reservoir) and subtracting heat from another group of atoms (cold reservoir). Results are presented illustrats the thermal conductivity change behavior for a selected crack lengths.

Original languageEnglish
Title of host publication12th International Conference on Fracture 2009, ICF-12
Pages1611-1620
Number of pages10
StatePublished - 2009
Event12th International Conference on Fracture 2009, ICF-12 - Ottawa, ON, Canada
Duration: 12 Jul 200917 Jul 2009

Publication series

Name12th International Conference on Fracture 2009, ICF-12
Volume2

Conference

Conference12th International Conference on Fracture 2009, ICF-12
Country/TerritoryCanada
CityOttawa, ON
Period12/07/0917/07/09

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