Conference Tools for 2023 TMS Annual Meeting & Exhibition

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About this Abstract
Meeting	2023 TMS Annual Meeting & Exhibition
Symposium	Algorithm Development in Materials Science and Engineering
Presentation Title	Microstructure-Sensitive Calculations of Metal Nanocomposite Electrical Conductivity
Author(s)	William E. Frazier, Bharat Gwalani, Julian Escobar Atehortua, Joshua Silverstein, Keerti Kappagantula
On-Site Speaker (Planned)	William E. Frazier
Abstract Scope	Recent literature on copper/graphene composites indicates that graphene additions can improve the conductive properties of polycrystalline copper. To ascertain the significance of these additions and disambiguate their contribution from microstructure on net conductivity, we have developed a finite difference-based calculation of electrical conductivity as a function of microstructure. The effects of grain size, texture, dislocation density, graphene distribution within the bulk, and graphene-grain boundary coverage on the conductivity of copper/graphene nanocomposites were evaluated. A parameter study evaluated the effect of graphene on the copper grain boundaries and within bulk copper on the associated change in net composite electrical conductivity. Calculations indicate that high grain boundary coverage with graphene at grain sizes smaller than 1 μm could appreciably increase the composite bulk electrical conductivity. Twinned grain boundaries slightly improved net electrical conductivity for an equivalent average grain diameter. The effect of intragranular graphene additions are also discussed.
Proceedings Inclusion?	Planned:
Keywords	Electronic Materials, Modeling and Simulation, Computational Materials Science & Engineering

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