|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Functional Nanomaterials: Functional Low-Dimensional (0D, 1D, 2D) Materials 2022
||Effects of Graphene Surface Interaction on Water-ice Phase Change
||Yu-Kai Weng, Seungha Shin, Kenneth David Kihm, Douglas S Aaron
|On-Site Speaker (Planned)
For fundamental understanding of water freezing propagation control, the effects of graphene surface interaction were investigated using molecular dynamics simulations. We measured the propagation speed under various freezing conditions and examined the water molecule mobility, thermodynamic driving force of phase change, and energetics near water/ice and water/graphene interfaces. Due to the competition between the mobility and thermodynamic driving force, the maximum speed of freezing propagation appeared at 252 K. Also, our study on water/ice interfacial energy for different water-contacting ice surface orientations showed that a higher interfacial energy led to a faster ice propagation. Due to the graphene-water interaction, ice crystal near graphene was aligned to have an ice surface with the lowest interfacial energy facing graphene. This leads to a faster freezing propagation along the graphene surface, suppressing ice formation perpendicular to graphene. These findings provide insights for the ice propagation control and the freeze casting of graphene.
||Modeling and Simulation, Energy Conversion and Storage, Shaping and Forming