Molecular design of self-assembled monolayer (SAM) coupling agent for reliable interfaces by molecular dynamics simulation

C. K. Wong; H. Fan; G. Q. Zhang; M. M. Yuen

doi:10.1007/978-1-4614-1728-6_9

Molecular design of self-assembled monolayer (SAM) coupling agent for reliable interfaces by molecular dynamics simulation

C. K. Wong^*
, H. Fan
, G. Q. Zhang
, M. M. Yuen

^*Corresponding author for this work

Department of Mechanical and Aerospace Engineering

Research output: Chapter in Book/Conference Proceeding/Report › Book Chapter › peer-review

Abstract

This paper aims at developing molecular modeling methodology to select a thiol-based self assembly monolayer (SAM) as a coupling agent for achieving a reliable epoxy-copper interfacial adhesion under moisture conditions. Moisture diffusion and interfacial energy is evaluated using molecular dynamics simulations. The qualitative agreement of the calculated interfacial energy with the experimental adhesion energy demonstrates that the molecular dynamics method is an effective way in selecting the coupling agent candidates.

Original language	English
Title of host publication	Molecular Modeling and Multiscaling Issues for Electronic Material Applications
Publisher	Springer US
Pages	133-148
Number of pages	16
ISBN (Electronic)	9781461417286
ISBN (Print)	9781461417279
DOIs	https://doi.org/10.1007/978-1-4614-1728-6_9
Publication status	Published - 1 Jan 2012

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© Springer Science+Business Media, LLC 2012. All right reserved.

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10.1007/978-1-4614-1728-6_9

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abstract = "This paper aims at developing molecular modeling methodology to select a thiol-based self assembly monolayer (SAM) as a coupling agent for achieving a reliable epoxy-copper interfacial adhesion under moisture conditions. Moisture diffusion and interfacial energy is evaluated using molecular dynamics simulations. The qualitative agreement of the calculated interfacial energy with the experimental adhesion energy demonstrates that the molecular dynamics method is an effective way in selecting the coupling agent candidates.",

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Molecular design of self-assembled monolayer (SAM) coupling agent for reliable interfaces by molecular dynamics simulation. / Wong, C. K.; Fan, H.; Zhang, G. Q. et al.
Molecular Modeling and Multiscaling Issues for Electronic Material Applications. Springer US, 2012. p. 133-148.

Research output: Chapter in Book/Conference Proceeding/Report › Book Chapter › peer-review

TY - CHAP

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AU - Yuen, M. M.

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N2 - This paper aims at developing molecular modeling methodology to select a thiol-based self assembly monolayer (SAM) as a coupling agent for achieving a reliable epoxy-copper interfacial adhesion under moisture conditions. Moisture diffusion and interfacial energy is evaluated using molecular dynamics simulations. The qualitative agreement of the calculated interfacial energy with the experimental adhesion energy demonstrates that the molecular dynamics method is an effective way in selecting the coupling agent candidates.

AB - This paper aims at developing molecular modeling methodology to select a thiol-based self assembly monolayer (SAM) as a coupling agent for achieving a reliable epoxy-copper interfacial adhesion under moisture conditions. Moisture diffusion and interfacial energy is evaluated using molecular dynamics simulations. The qualitative agreement of the calculated interfacial energy with the experimental adhesion energy demonstrates that the molecular dynamics method is an effective way in selecting the coupling agent candidates.

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BT - Molecular Modeling and Multiscaling Issues for Electronic Material Applications

PB - Springer US

ER -

Molecular design of self-assembled monolayer (SAM) coupling agent for reliable interfaces by molecular dynamics simulation

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