Dresden 2026 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 31: Transport in Materials: Diffusion, Charge, or Heat Conduction II

MM 31.1: Talk

Thursday, March 12, 2026, 10:15–10:30, SCH/A216

Thermal Transport through Benzene-1,3,5-Trisamide Fibers — •Eberhard Lukas Flöter and Fabian Pauly — Universität Augsburg, Augsburg, Germany

Benzene-1,3,5-trisamides (BTAs) are a group of chiral and polar molecules which consist of a benzene ring, three amide groups and various side groups. Hydrogen bonding between the amide groups lets the BTAs assemble to columns. These columns pack into hexagonal structures, forming fibers. Since BTAs are chiral and polar, there are multiple configurations that these structures can take. We use nonequilibrium molecular dynamics (NEMD) methods and force fields to model thermal transport through BTA fibers in various configurations. In the presentation we discuss how thermal transport depends on side groups, molecular stacking and defects.

Keywords: Benzene-1,3,5-trisamides; fibers; thermal transport; nonequilibrium molecular dynamics; Force Fields