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Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles
Wei YC; Chen SH(陈少华); Chen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Source PublicationJOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
2015-12
Volume15Issue:12Pages:9457-9463
ISSN1533-4880
AbstractThe surface energy density of nano-sized elements exhibits a significantly size-dependent behavior. Spherical nanoparticle, as an important element in nano-devices and nano-composites, has attracted many interesting studies on size effect, most of which are molecular dynamics (MD) simulations. However, the existing MD calculations yield two opposite size-dependent trends of surface energy density of nanoparticles. In order to clarify such a real underlying problem, atomistic calculations are carried out in the present paper for various spherical face-centered-cubic (fcc) metallic nanoparticles. Both the embedded atom method (EAM) potential and the modified embedded atom method (MEAM) one are adopted. It is found that the size-dependent trend of surface energy density of nanoparticles is not governed by the chosen potential function or variation trend of surface energy, but by the defined radius of spherical nanoparticles in MD models. The finding in the present paper should be helpful for further theoretical studies on surface/interface effect of nanoparticles and nanoparticle-reinforced composites.
KeywordNanoparticle Surface Energy Density Size Effect Molecular Dynamics Simulation
DOI10.1166/jnn.2015.10494
URL查看原文
Indexed BySCI ; EI
Language英语
WOS IDWOS:000365555000014
WOS KeywordEMBEDDED-ATOM METHOD ; ELASTIC PROPERTIES ; INTERFACE STRESS ; IMPURITIES ; POTENTIALS ; SILICON
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectChemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
Funding OrganizationThe work reported here is supported by NSFC through Grants #11372317, #11125211, the Nano-project (2012CB937500), and the CAS/SAFEA International Partnership Program for Creative Research Teams.
DepartmentLNM仿生材料与固体的微尺度力学
Classification二类/Q2
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/58371
Collection非线性力学国家重点实验室
Corresponding AuthorChen, SH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Wei YC,Chen SH,Chen, SH . Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles[J]. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,2015,15(12):9457-9463.
APA Wei YC,陈少华,&Chen, SH .(2015).Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles.JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,15(12),9457-9463.
MLA Wei YC,et al."Size-Dependent Surface Energy Density of Spherical Face-Centered-Cubic Metallic Nanoparticles".JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 15.12(2015):9457-9463.
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