Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides

Xiu Bin Zhang; Ze Sheng Li; Zhong Yuan Lü; Kun Qian Yu; Chia Chung Sun

Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides

Xiu Bin Zhang, Ze Sheng Li^*, Zhong Yuan Lü, Kun Qian Yu, Chia Chung Sun

^*Corresponding author for this work

Jilin University

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

Abstract

Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydride-oxydianiline(PMDA-ODA). It is shown that the monolayer forms aggregates on the surface of PMDA-ODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDA-ODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA-ODA interface is studied.

Original language	English
Pages (from-to)	2084
Number of pages	1
Journal	Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
Volume	22
Issue number	12
Publication status	Published - Dec 2001
Externally published	Yes

Keywords

Interaction
Metal/polymer interface
Theoretical simulation

Cite this

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title = "Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides",

abstract = "Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydride-oxydianiline(PMDA-ODA). It is shown that the monolayer forms aggregates on the surface of PMDA-ODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDA-ODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA-ODA interface is studied.",

keywords = "Interaction, Metal/polymer interface, Theoretical simulation",

author = "Zhang, {Xiu Bin} and Li, {Ze Sheng} and L{\"u}, {Zhong Yuan} and Yu, {Kun Qian} and Sun, {Chia Chung}",

year = "2001",

month = dec,

language = "English",

volume = "22",

pages = "2084",

journal = "Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities",

issn = "0251-0790",

publisher = "Higher Education Press Limited Company",

number = "12",

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TY - JOUR

T1 - Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides

AU - Zhang, Xiu Bin

AU - Li, Ze Sheng

AU - Lü, Zhong Yuan

AU - Yu, Kun Qian

AU - Sun, Chia Chung

PY - 2001/12

Y1 - 2001/12

N2 - Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydride-oxydianiline(PMDA-ODA). It is shown that the monolayer forms aggregates on the surface of PMDA-ODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDA-ODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA-ODA interface is studied.

AB - Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydride-oxydianiline(PMDA-ODA). It is shown that the monolayer forms aggregates on the surface of PMDA-ODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDA-ODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA-ODA interface is studied.

KW - Interaction

KW - Metal/polymer interface

KW - Theoretical simulation

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M3 - Article

AN - SCOPUS:0345774200

SN - 0251-0790

VL - 22

SP - 2084

JO - Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

JF - Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

IS - 12

ER -

Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides

Abstract

Keywords

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