Atomistic simulation of frictional sliding between cellulose Iβ nanocrystals

Xiawa Wu; Robert J. Moon; Ashlie Martini

doi:10.1007/s11249-013-0223-x

Atomistic simulation of frictional sliding between cellulose Iβ nanocrystals

Xiawa Wu, Robert J. Moon, Ashlie Martini

School of Engineering (Behrend)

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

Sliding friction between cellulose Iβ nanocrystals is studied using molecular dynamics simulation. The effects of sliding velocity, normal load, and relative angle between sliding surface are predicted, and the results analyzed in terms of the number of hydrogen bonds within and between the cellulose chains. We find that although the observed friction trends can be correlated with hydrogen bonding, it may not be the most significant factor in determining frictional behavior on cellulose nanocrystal surfaces.

Original language	English (US)
Pages (from-to)	395-405
Number of pages	11
Journal	Tribology Letters
Volume	52
Issue number	3
DOIs	https://doi.org/10.1007/s11249-013-0223-x
State	Published - Dec 2013

All Science Journal Classification (ASJC) codes

Mechanics of Materials
Mechanical Engineering
Surfaces and Interfaces
Surfaces, Coatings and Films

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10.1007/s11249-013-0223-x

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title = "Atomistic simulation of frictional sliding between cellulose Iβ nanocrystals",

abstract = "Sliding friction between cellulose Iβ nanocrystals is studied using molecular dynamics simulation. The effects of sliding velocity, normal load, and relative angle between sliding surface are predicted, and the results analyzed in terms of the number of hydrogen bonds within and between the cellulose chains. We find that although the observed friction trends can be correlated with hydrogen bonding, it may not be the most significant factor in determining frictional behavior on cellulose nanocrystal surfaces.",

author = "Xiawa Wu and Moon, {Robert J.} and Ashlie Martini",

note = "Funding Information: Acknowledgements The authors are grateful to financial support for this research provided by the Forest Products Laboratory under USDA Grant: 11-JV-11111129-087 – Atomic-Scale Modeling of Cellulose Nanocrystals, and Air Force Office of Sponsored Research Grant: FA9550-11-1-0162—Thermal and Mechanical Properties of Nanocellulosic Materials: Integrated Modeling and Experiments.",

year = "2013",

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doi = "10.1007/s11249-013-0223-x",

language = "English (US)",

volume = "52",

pages = "395--405",

journal = "Tribology Letters",

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publisher = "Springer Science and Business Media, LLC",

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TY - JOUR

T1 - Atomistic simulation of frictional sliding between cellulose Iβ nanocrystals

AU - Wu, Xiawa

AU - Moon, Robert J.

AU - Martini, Ashlie

N1 - Funding Information: Acknowledgements The authors are grateful to financial support for this research provided by the Forest Products Laboratory under USDA Grant: 11-JV-11111129-087 – Atomic-Scale Modeling of Cellulose Nanocrystals, and Air Force Office of Sponsored Research Grant: FA9550-11-1-0162—Thermal and Mechanical Properties of Nanocellulosic Materials: Integrated Modeling and Experiments.

PY - 2013/12

Y1 - 2013/12

N2 - Sliding friction between cellulose Iβ nanocrystals is studied using molecular dynamics simulation. The effects of sliding velocity, normal load, and relative angle between sliding surface are predicted, and the results analyzed in terms of the number of hydrogen bonds within and between the cellulose chains. We find that although the observed friction trends can be correlated with hydrogen bonding, it may not be the most significant factor in determining frictional behavior on cellulose nanocrystal surfaces.

AB - Sliding friction between cellulose Iβ nanocrystals is studied using molecular dynamics simulation. The effects of sliding velocity, normal load, and relative angle between sliding surface are predicted, and the results analyzed in terms of the number of hydrogen bonds within and between the cellulose chains. We find that although the observed friction trends can be correlated with hydrogen bonding, it may not be the most significant factor in determining frictional behavior on cellulose nanocrystal surfaces.

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U2 - 10.1007/s11249-013-0223-x

DO - 10.1007/s11249-013-0223-x

M3 - Article

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VL - 52

SP - 395

EP - 405

JO - Tribology Letters

JF - Tribology Letters

IS - 3

ER -

Atomistic simulation of frictional sliding between cellulose Iβ nanocrystals

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