Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study
A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering sim...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2020-12-01
|
Series: | Results in Physics |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720319422 |
id |
doaj-073f430b9e8c4ef8873c21c8d91950c3 |
---|---|
record_format |
Article |
spelling |
doaj-073f430b9e8c4ef8873c21c8d91950c32020-12-25T05:08:42ZengElsevierResults in Physics2211-37972020-12-0119103486Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics studyDong Hu0Zhen Cui1Jiajie Fan2Xuejun Fan3Guoqi Zhang4Department of Microelectronics, Delft University of Technology, 2628 CD Delft, the NetherlandsDepartment of Microelectronics, Delft University of Technology, 2628 CD Delft, the NetherlandsDepartment of Microelectronics, Delft University of Technology, 2628 CD Delft, the Netherlands; Center for Shanghai Silicon Carbide Power Devices Engineering & Technology Research, Academy for Engineering & Technology, Fudan University, Shanghai 200433, ChinaDepartment of Mechanical Engineering, P.O. Box 10028, Lamar University, Beaumont, TX 77710, USADepartment of Microelectronics, Delft University of Technology, 2628 CD Delft, the Netherlands; Corresponding author.A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering simulations of two halve Cu NPs were conducted at the pressure of 0–300 MPa and the temperature of 300–500 K. A transition of the dominant coalescence kinetics from slight surface diffusion to intensive grain boundary diffusion and dislocation driven plastic flows were found when pressure was applied. Furthermore, atomic trajectories showed the effect of temperature on sintering was strongly dependent on the microstructures of Cu NPs. The atomic diffusion around defects can be significantly promoted by the elevated temperature. Additionally, based on the sintered structures, uniaxial tension simulation was implemented with a constant strain rate. Stress–strain curves and evolution of dislocation activities were derived. Improved mechanical behaviors, including larger elastic modulus and larger tensile strength, were obtained in the structure sintered under higher pressure and temperature. Among this study, sintering temperature and pressure consistently exhibited the same relative impact on affecting both coalescence and the mechanical properties of the sintered structure.http://www.sciencedirect.com/science/article/pii/S2211379720319422Cu nanoparticlePressure-assisted sinteringMolecular dynamics simulationMechanical property |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Dong Hu Zhen Cui Jiajie Fan Xuejun Fan Guoqi Zhang |
spellingShingle |
Dong Hu Zhen Cui Jiajie Fan Xuejun Fan Guoqi Zhang Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study Results in Physics Cu nanoparticle Pressure-assisted sintering Molecular dynamics simulation Mechanical property |
author_facet |
Dong Hu Zhen Cui Jiajie Fan Xuejun Fan Guoqi Zhang |
author_sort |
Dong Hu |
title |
Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study |
title_short |
Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study |
title_full |
Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study |
title_fullStr |
Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study |
title_full_unstemmed |
Thermal kinetic and mechanical behaviors of pressure-assisted Cu nanoparticles sintering: A molecular dynamics study |
title_sort |
thermal kinetic and mechanical behaviors of pressure-assisted cu nanoparticles sintering: a molecular dynamics study |
publisher |
Elsevier |
series |
Results in Physics |
issn |
2211-3797 |
publishDate |
2020-12-01 |
description |
A molecular dynamics (MD) simulation was performed on the coalescence kinetics and mechanical behavior of the pressure-assisted Cu nanoparticles (NPs) sintering at low temperature. To investigate the effects of sintering pressure and temperature on the coalescence of the nanoparticles, sintering simulations of two halve Cu NPs were conducted at the pressure of 0–300 MPa and the temperature of 300–500 K. A transition of the dominant coalescence kinetics from slight surface diffusion to intensive grain boundary diffusion and dislocation driven plastic flows were found when pressure was applied. Furthermore, atomic trajectories showed the effect of temperature on sintering was strongly dependent on the microstructures of Cu NPs. The atomic diffusion around defects can be significantly promoted by the elevated temperature. Additionally, based on the sintered structures, uniaxial tension simulation was implemented with a constant strain rate. Stress–strain curves and evolution of dislocation activities were derived. Improved mechanical behaviors, including larger elastic modulus and larger tensile strength, were obtained in the structure sintered under higher pressure and temperature. Among this study, sintering temperature and pressure consistently exhibited the same relative impact on affecting both coalescence and the mechanical properties of the sintered structure. |
topic |
Cu nanoparticle Pressure-assisted sintering Molecular dynamics simulation Mechanical property |
url |
http://www.sciencedirect.com/science/article/pii/S2211379720319422 |
work_keys_str_mv |
AT donghu thermalkineticandmechanicalbehaviorsofpressureassistedcunanoparticlessinteringamoleculardynamicsstudy AT zhencui thermalkineticandmechanicalbehaviorsofpressureassistedcunanoparticlessinteringamoleculardynamicsstudy AT jiajiefan thermalkineticandmechanicalbehaviorsofpressureassistedcunanoparticlessinteringamoleculardynamicsstudy AT xuejunfan thermalkineticandmechanicalbehaviorsofpressureassistedcunanoparticlessinteringamoleculardynamicsstudy AT guoqizhang thermalkineticandmechanicalbehaviorsofpressureassistedcunanoparticlessinteringamoleculardynamicsstudy |
_version_ |
1724371163616903168 |