Molecular dynamics of rolling and twisting motion of amorphous nanoparticles

Abstract Granular mechanics codes use macroscopic laws to describe the damping of rolling and twisting motion in granular ensembles. We employ molecular dynamics simulation of amorphous Lennard–Jones grains to explore the applicability of these laws for nm-sized particles. We find the adhesive force...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Philipp Umstätter, Herbert M. Urbassek
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/0eb44769e7b04f06b2097dff9a43b501
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:0eb44769e7b04f06b2097dff9a43b501
record_format	dspace
spelling	oai:doaj.org-article:0eb44769e7b04f06b2097dff9a43b5012021-12-02T18:30:46ZMolecular dynamics of rolling and twisting motion of amorphous nanoparticles10.1038/s41598-021-93984-12045-2322https://doaj.org/article/0eb44769e7b04f06b2097dff9a43b5012021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-93984-1https://doaj.org/toc/2045-2322Abstract Granular mechanics codes use macroscopic laws to describe the damping of rolling and twisting motion in granular ensembles. We employ molecular dynamics simulation of amorphous Lennard–Jones grains to explore the applicability of these laws for nm-sized particles. We find the adhesive force to be linear in the intergrain attraction, as in the macroscopic theory. However, the damping torque of rolling motion is strongly superlinear in the intergrain attraction. This is caused by the strong increase of the ‘lever arm’ responsible for the damping torque—characterizing the asymmetry of the adhesive neck during rolling motion—with the surface energy of the grains. Also the damping torque of twisting motion follows the macroscopic theory based on sliding friction, which predicts the torque to increase whit the cube of the contact radius; here the dynamic increase of the contact radius with angular velocity is taken into account.Philipp UmstätterHerbert M. UrbassekNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Philipp Umstätter Herbert M. Urbassek Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
description	Abstract Granular mechanics codes use macroscopic laws to describe the damping of rolling and twisting motion in granular ensembles. We employ molecular dynamics simulation of amorphous Lennard–Jones grains to explore the applicability of these laws for nm-sized particles. We find the adhesive force to be linear in the intergrain attraction, as in the macroscopic theory. However, the damping torque of rolling motion is strongly superlinear in the intergrain attraction. This is caused by the strong increase of the ‘lever arm’ responsible for the damping torque—characterizing the asymmetry of the adhesive neck during rolling motion—with the surface energy of the grains. Also the damping torque of twisting motion follows the macroscopic theory based on sliding friction, which predicts the torque to increase whit the cube of the contact radius; here the dynamic increase of the contact radius with angular velocity is taken into account.
format	article
author	Philipp Umstätter Herbert M. Urbassek
author_facet	Philipp Umstätter Herbert M. Urbassek
author_sort	Philipp Umstätter
title	Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
title_short	Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
title_full	Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
title_fullStr	Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
title_full_unstemmed	Molecular dynamics of rolling and twisting motion of amorphous nanoparticles
title_sort	molecular dynamics of rolling and twisting motion of amorphous nanoparticles
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0eb44769e7b04f06b2097dff9a43b501
work_keys_str_mv	AT philippumstatter moleculardynamicsofrollingandtwistingmotionofamorphousnanoparticles AT herbertmurbassek moleculardynamicsofrollingandtwistingmotionofamorphousnanoparticles
_version_	1718377962464608256

Molecular dynamics of rolling and twisting motion of amorphous nanoparticles

Ejemplares similares