Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates

Junhua Zhao; Lixin Lu; Zhiliang Zhang; Wanlin Guo; Timon Rabczuk

doi:10.1016/j.commatsci.2014.06.050

Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates

Junhua Zhao, Lixin Lu, Zhiliang Zhang, Wanlin Guo, Timon Rabczuk

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

23 Citations (Scopus)

Abstract

Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.

Original language	English
Pages (from-to)	432-438
Number of pages	7
Journal	Computational Materials Science
Volume	96
Issue number	PB
DOIs	https://doi.org/10.1016/j.commatsci.2014.06.050
Publication status	Published - 2015 Jan

Bibliographical note

Funding Information:
We gratefully acknowledge support by the the National Natural Science Foundation of China (No. 11302084), the Germany Science Foundation, the IRSES-MULTIFRAC project, and the Research Council of Norway (MS2MP) project. The authors would like to thank Dr. Y. Jia, Dr. J. Wu, Dr. J.W. Jiang and Dr. Y. Zhang for useful discussions.

Keywords

Cohesive energy
Continuum model
Matrix
Sphere
Substrate
Thin film

ASJC Scopus subject areas

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

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10.1016/j.commatsci.2014.06.050

Cite this

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title = "Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates",

abstract = "Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.",

keywords = "Cohesive energy, Continuum model, Matrix, Sphere, Substrate, Thin film",

author = "Junhua Zhao and Lixin Lu and Zhiliang Zhang and Wanlin Guo and Timon Rabczuk",

note = "Funding Information: We gratefully acknowledge support by the the National Natural Science Foundation of China (No. 11302084), the Germany Science Foundation, the IRSES-MULTIFRAC project, and the Research Council of Norway (MS2MP) project. The authors would like to thank Dr. Y. Jia, Dr. J. Wu, Dr. J.W. Jiang and Dr. Y. Zhang for useful discussions.",

year = "2015",

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doi = "10.1016/j.commatsci.2014.06.050",

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AU - Zhao, Junhua

AU - Lu, Lixin

AU - Zhang, Zhiliang

AU - Guo, Wanlin

AU - Rabczuk, Timon

N1 - Funding Information: We gratefully acknowledge support by the the National Natural Science Foundation of China (No. 11302084), the Germany Science Foundation, the IRSES-MULTIFRAC project, and the Research Council of Norway (MS2MP) project. The authors would like to thank Dr. Y. Jia, Dr. J. Wu, Dr. J.W. Jiang and Dr. Y. Zhang for useful discussions.

PY - 2015/1

Y1 - 2015/1

N2 - Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.

AB - Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.

KW - Cohesive energy

KW - Continuum model

KW - Matrix

KW - Sphere

KW - Substrate

KW - Thin film

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Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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