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Dominant mechanisms of the sintering of copper nano-powders depending on the crystal misalignment

Title
Dominant mechanisms of the sintering of copper nano-powders depending on the crystal misalignment
Authors
Seong, YKim, YGerman, RKim, SKim, S.-GKim, S.JKim, H.JPark, S.J.
POSTECH Authors
Park, S.J.
Date Issued
Oct-2016
Publisher
ELSEVIER SCIENCE BV
Abstract
Sintering mechanisms of nanoscale copper powder are investigated using molecular dynamics ( MD) simulations based on the embedded-atom method (EAM). The densification parameters, such as shrinkage, and relative sintered density are calculated using the two-particle sintering model. This paper considers the important role of crystalline misalignment between two particles on densification. Besides volume diffusion contribution, misalignment between the crystal structures results in enhanced grain boundary diffusion. At low temperatures, grain boundary torque cause particles to rotate to reduce grain boundary energy. At higher temperatures, particle rotation becomes complicated including remarkable twist, and grain boundary tilting due to grain-boundary-like diffusion. These results provide insights to the processing cycle parameters applicable to nano-powders. (C) 2016 Elsevier B.V. All rights reserved.
Sintering mechanisms of nanoscale copper powder are investigated using molecular dynamics ( MD) simulations based on the embedded-atom method (EAM). The densification parameters, such as shrinkage, and relative sintered density are calculated using the two-particle sintering model. This paper considers the important role of crystalline misalignment between two particles on densification. Besides volume diffusion contribution, misalignment between the crystal structures results in enhanced grain boundary diffusion. At low temperatures, grain boundary torque cause particles to rotate to reduce grain boundary energy. At higher temperatures, particle rotation becomes complicated including remarkable twist, and grain boundary tilting due to grain-boundary-like diffusion. These results provide insights to the processing cycle parameters applicable to nano-powders. (C) 2016 Elsevier B.V. All rights reserved.
Keywords
MOLECULAR-DYNAMICS SIMULATIONS; EMBEDDED-ATOM METHOD; GRAIN-GROWTH; NANOCRYSTALLINE MATERIALS; FCC METALS; NANOPARTICLES; COALESCENCE; BOUNDARIES; DIFFUSION; ENERGY
URI
http://oasis.postech.ac.kr/handle/2014.oak/36391
DOI
10.1016/j.commatsci.2016.06.016
ISSN
0927-0256
Article Type
Article
Citation
COMPUTATIONAL MATERIALS SCIENCE, vol. 123, page. 164 - 175, 2016-10
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 PARK, SEONG JIN
Dept of Mechanical Enginrg
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