Dielectric properties of confined water
31 October 2019
UAntwerp, Campus Groenenborger, G.U.241 - Groenenborgerlaan 171 - 2020 Antwerpen (route: UAntwerpen, Campus Groenenborger
4:00 PM - 5:00 PM
CMT lecture presented by Dr Mehdi Neek-Amal (Shahid Rajaee University, Iran)
Contact email: firstname.lastname@example.org
The dielectric constant of materials has three main contributions: i) electronic, ii) ionic, and iii) dipolar. The dipolar contribution can be found using molecular dynamics simulations (MDS) or Monte Carlo simulations (MCS). In the past few years, MDS or MCS were used to examine water's unique properties employing a variety of classical force fields under both normal and critical conditions. We performed MDS to simulate water confined between graphene or h-BN layers. We calculate the parallel component of the dielectric constant of confined water as a function of the channel size.