Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 206, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2022.111277
Keywords
Nanoparticles; Graphene foam; Uniaixal tension; Mechanical property; Micro-mechanism; Coarse-grained molecular dynamics
Categories
Funding
- NSFC [11872114, 12032004, 11972348, 12002034]
- Strategic Priority Research Program of the Chinese Academy of Sciences [XDB22040503]
- CAS/SAFEA International Partnership Program for Creative Research Teams
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A coarse-grained NP-GrFs model was established to study the mechanical response of NP-GrFs under uniaxial tension and the effects of nanoparticle size and volume fraction. The study found that the initial modulus and tensile strength depend on the size and volume fraction of nanoparticles, and both could increase by almost an order of magnitude. The study also identified two main enhancing mechanisms, increased adhesion between neighbor sheets by nanoparticles and homogenized stress due to the extrusion of nanoparticles.
Nanoparticle-contained graphene foams (NP-GrFs) have been widely concerned and used in many practical applications in recent years. However, the mechanical property and its micro-mechanism of such a new com-posite material are still poorly understood. In this work, a coarse-grained NP-GrFs model is established to sys-tematically study the mechanical response of NP-GrFs under uniaxial tension as well as the size and volume fraction effects of nanoparticles. It is found that both the initial modulus and tensile strength depend on the size and volume fraction of NPs, both of which can increase by almost an order of magnitude. Furthermore, when the volume fraction of nanoparticles increases, the strain hardening phenomenon occurs. Two main enhancing mechanisms are found. One is the increased adhesion between neighbor sheets by NPs and the other is the homogenized stress due to the extrusion of NPs. The present results should be useful not only for understanding the microstructure-determined mechanical properties of NP-GrFs but also for the design of advanced functional materials or devices based on GrFs.
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