This article is cited in 2 papers

Communications

General AMBER force field parameters for modeling polyalkylsiloxane chains

G. I. Makarov, T. M. Makarova

South Ural State University (National Research University), 454080 Chelyabinsk, Russian Federation

Abstract: As a supplement to the widely used general AMBER force field, a set of parameters is proposed for molecular dynamics modeling of the structure and properties of polymer chains in polyalkylsiloxane matrices of materials capable of selfhealing after stress loads.

Keywords: siloxanes, GAFF, force field, polydimethylsiloxane, molecular mechanics.

Received: 30.07.2024
Accepted: 03.10.2024

Language: English

DOI: 10.71267/mencom.7580

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