Arrangement of DOBAMBC molecules inside the capsule on change of the molecule's inclination on the border of the capsule investigated by the molecular dynamics method

TL;DR

This study uses molecular dynamics to explore how DOBAMBC molecules distribute and reorient within a capsule, focusing on how their inclination at the border affects their arrangement in smectic layers.

Contribution

It introduces a molecular dynamics approach to analyze the influence of border molecule inclination on the internal arrangement of DOBAMBC molecules in capsules.

Findings

Molecular distribution varies with border inclination.

Molecular arrangement in smectic layers depends on border molecule orientation.

The method provides insights into molecular behavior in confined environments.

Abstract

The method of molecular dynamics is used to investigate the distribution of DOBAMBC molecules in a capsule with the fixed border layer. Change of an arrangement of molecules in smectic layers depending on an inclination of molecules on border is considered.