Molecular simulations of the influence of defects and functionalization on the shear strength of carbon nanotube-epoxy polymer interfaces
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- 作者：X. Peng ; S.A. Meguid ; meguid@mie.utoronto.ca" class="auth_mail" title="E-mail the corresponding author
- 关键词：Defect ; Functionalization ; Molecular dynamics ; Interfacial shear strength ; Nanocomposite ; Epoxy
- 刊名：Computational Materials Science
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：126
- 期：Complete
- 页码：204-216
- 全文大小：5964 K
文摘
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We studied the effect of defect and functionalization on the ISS of nanocomposites.
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SW defective and phenyl functionalized CNTs lead to improved ISS.
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Vacancy degradation effects depend on the number and not on the type of vacancies.
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Adatom defects have a marginal effect on the ISS.
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Uncured epoxies have lower ISS not affected by defects and functionalization.