期刊论文

【摘要】

A study of eucommia ulmoides gum (EUG)/Ag nanoparticle (NP) composites by molecular dynamics (MD) simulations to understand their structure, polarizability, thermodynamic properties, and mechanical properties is proposed. The effects of simulation temperature and Ag NPs size on these parameters were also studied. The results revealed that the composites exhibited an isotropic amorphous structure, and the distribution uniformity of the Ag NPs was enhanced by changing the simulation temperature. Several atoms of the Ag NPs were in an amorphous state, and a polarized layer was observed on the interface between the Ag NPs and the eucommia ulmoide matrix. The interface size increased as the temperature increased and nanoparticles size decreased. The isochoric heat capacity and thermal pressure coefficient of the EUG/Ag-NP composites exhibited significant size effects and improved thermal interferences, which indicated that the presence of the Ag NPs had a positive effect on the mechanical properties of the EUG.

【授权许可】

Unknown
© 2017 SAGE Publications Ltd

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Advanced Composites Letters
Molecular Dynamics Simulation Study of Eucommiaulmoides GUM/AG Nanoparticle Composites
Article
Xin-sheng Wang¹ Fei-Zhou Li² Ming-qiang Zhu³ Yuntao Xi⁴ Zhen-Lin Lu⁵
[1] Baoji University of Arts and Sciences, Department of Mechanical, Baoji 721007, China. Xi'an;Baoji University of Arts and Sciences, Department of Mechanical, Baoji 721007, China. Xi'an;University of Technology, School of Material Science and Engineering, Xi'an 710048, China.;College of Forestry, Northwest A&F University, Yangling 712100, China.);School of Material Science and Engineering, Xi'an Shiyou University, Xi'an 710065, China;University of Technology, School of Material Science and Engineering, Xi'an 710048, China.;
关键词: Molecular Dynamics Simulation; Ag Nanoparticle; Eucommia Ulmoides Gum;
DOI : 10.1177/096369351702600402
received in 2017-04-25, accepted in 2017-06-15, 发布年份 2017
来源: Sage Journals
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