Thermal conductivity of dissociating water—an ab initio study
The thermal conductivity of partially dissociated and ionised water is calculated in a large-scale study using density functional theory (DFT)-based molecular dynamics (MD) simulations. In doing so, the required heat current of the nuclei is calculated by mapping the effective particle interactions...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2019-01-01
|
| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/ab0613 |