|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Meso/Macroscale Simulations
||Phase-field Modelling of Multiply-twinned Structures of FCC Metallic Nanomaterials
||Jong-Hyuk Lee, Dong-Uk Kim, Kunok Chang, Yongwoo Kwon
|On-Site Speaker (Planned)
Nanomaterials of FCC metals such as Ag, Au, and Cu have attracted a lot of interest because they have diverse applications in information and environmental technologies. For example, Ag nanowires embedded in a polymer matrix can be used as a transparent electrode. Au nanoparticles show different plasmonic properties depending upon their morphology. Very interestingly, solution processes can yield various morphologies – either single crystalline or multiply-twinned. There are two major factors for determining the morphology. One is the surface energy and the other is the strain energy. In a solution, surface energy greatly varies by surfactants. In the multiply-twinned structures, crystal domains are strained. The strain energy is nonuniform within the crystal. All these effects yield various morphologies. In this presentation, we will demonstrate a phase-field model that can deal with anisotropic surface energy, multi-domains, and strain energy. Then, we will discuss on the formation mechanism of the multiply-twinned structures.
||Planned: Supplemental Proceedings volume