| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials Processing and Kinetic Phenomena: From Thin Films and Micro/Nano Systems to Advanced Manufacturing
|
| Presentation Title |
Simulated Surface Diffusion in Nanoporous Gold and Its Dependence on Surface Curvature |
| Author(s) |
Conner Marie Winkeljohn, Jeremy Mason |
| On-Site Speaker (Planned) |
Conner Marie Winkeljohn |
| Abstract Scope |
This work specifically explores gold atom surface diffusion's dependence on surface curvature, as surface diffusion is generally believed to govern morphology evolution in nanoporous gold. The surface diffusivity is estimated by molecular dynamics simulations for a variety of surfaces. The apparent concentration of mobile surface atoms was found to have an Arrhenius dependence on temperature with it's activation energy, as well as the activation energy from the apparent surface diffusivity, having a weak dependence on curvature. These activation energies depend on curvature in such a way that the rate of mass transport by surface diffusion is nearly independent of curvature, but with a higher activation energy of ∼1.01 eV. This weak dependence is believed to be related to the expected lifetime of a mobile surface atom and a simulation study that does not account for this could underestimate the activation energy for mass transport via surface diffusion by ∼0.27 eV. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nanotechnology |