TY - JOUR
T1 - A molecular dynamics study of tensile strength between a highly-crosslinked epoxy molding compound and a copper substrate
AU - Yang, Shaorui
AU - Gao, Feng
AU - Qu, Jianmin
PY - 2013/8/16
Y1 - 2013/8/16
N2 - Presented in this paper is a numerical study based on classical molecular dynamics simulation to understand the deformation and failure behavior of an epoxy/copper bimaterial under pure tension normal to the interface. The epoxy considered is a highly cross-linked epoxy phenol novolac, and the copper substrate is a standard face-center-cubic single crystal with its (1,1,1) surface as the epoxy/copper interface. Stress versus displacement/strain curves are obtained to understand the bimaterial behavior and to predict the epoxy/copper interfacial tensile strength. It is found that the interfacial failure is brittle caused by simultaneous detachment of epoxy atoms from the copper substrate, and the interfacial tensile strength is almost unaffected by the unloading and reloading before the failure strength is reached. Effects of temperature, epoxy cross-link density, and epoxy functionality are also investigated. Findings of this study provide significant insights into the deformation and failure behavior mechanisms of the epoxy/copper bimaterial interface.
AB - Presented in this paper is a numerical study based on classical molecular dynamics simulation to understand the deformation and failure behavior of an epoxy/copper bimaterial under pure tension normal to the interface. The epoxy considered is a highly cross-linked epoxy phenol novolac, and the copper substrate is a standard face-center-cubic single crystal with its (1,1,1) surface as the epoxy/copper interface. Stress versus displacement/strain curves are obtained to understand the bimaterial behavior and to predict the epoxy/copper interfacial tensile strength. It is found that the interfacial failure is brittle caused by simultaneous detachment of epoxy atoms from the copper substrate, and the interfacial tensile strength is almost unaffected by the unloading and reloading before the failure strength is reached. Effects of temperature, epoxy cross-link density, and epoxy functionality are also investigated. Findings of this study provide significant insights into the deformation and failure behavior mechanisms of the epoxy/copper bimaterial interface.
KW - Copper substrate
KW - Epoxy molding compound
KW - Molecular dynamics simulation
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U2 - 10.1016/j.polymer.2013.07.019
DO - 10.1016/j.polymer.2013.07.019
M3 - Article
AN - SCOPUS:84881543965
SN - 0032-3861
VL - 54
SP - 5064
EP - 5074
JO - Polymer
JF - Polymer
IS - 18
ER -