Dielectric properties of SPC/E and TIP4P under the static electric field and microwave field

Di Li and Guo-zhu Jia

Physica A: Statistical Mechanics and its Applications, 2016, vol. 449, issue C, 348-356

Abstract: Nonequilibrium molecular dynamics simulations of the SPC/E and TIP4P models have been performed both in the absence and presence of the static electric field (0–3×109 V/m) and the microwave field (2.45 G, 0–3×109 V/m). The radial distribution function, dielectric constant, polarizability, dielectric relaxation time, hydrogen bonding and diffusion coefficient were investigated. Significant alteration in the static electric field has effect on the tetrahedral structure of water; the interaction between microwave and water depends on the hydrogen bonding. The 3×107 V/m is threshold intensity, as the intensity of the static electric field increases the decline of the dielectric constant becomes more pronounced, and the polarizability obviously increased with the increase of microwave field. And the life of hydrogen bonding is oscillatory under the high static electric field strength.

Keywords: SPC/E; TIP4P; Microwave; Dielectric properties; Molecular dynamics (search for similar items in EconPapers)
Date: 2016
References: View complete reference list from CitEc
Citations: View citations in EconPapers (1)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:449:y:2016:i:c:p:348-356

DOI: 10.1016/j.physa.2016.01.007

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