Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites

By Chenyu Wei, D. Srivastava, Kyeongjae Cho. 2002

337 citations recorded by the source corpus.

Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface are used to investigate the thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Additions of carbon nanotubes to a polymer matrix are found to increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. These findings could have implications in CNT composite processing, coating and painting applications.

Subfields: Biomedical Engineering, Materials Chemistry, Polymers and Plastics

View Paper: https://www.semanticscholar.org/paper/e339ad72877cc9eb29ea71ffbfd6d911e12f0ad2

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In Biomedical Engineering

1. Wing Kam Liu
2. L. Catherine Brinson
3. Timon Rabczuk
4. R. Qiao
5. Harold S. Park
6. Sulin Zhang
7. Yancheng Zhang
8. Xiaoying Zhuang

In Materials Chemistry

1. Sulin Zhang
2. Harold S. Park
3. Xiaoying Zhuang
4. Timon Rabczuk
5. Eduard G. Karpov
6. L. Catherine Brinson
7. R. Qiao
8. Hua Liu

In Polymers and Plastics

1. Timon Rabczuk
2. Xiaoying Zhuang
3. R. Qiao
4. L. Catherine Brinson
5. Wing Kam Liu

Citations in the corpus

• An introduction to computational nanomechanics and materials (2004, background): “Other areas of opportunities include nanocomposites [32–38] and nanoalloys [39–42].”
• Stochastic predictions of interfacial characteristic of polymeric nanocomposites (PNCs) (2014, methodology): “A non-bonded vdW force of the truncated Lennard–Jones (LJ) 6– 12 with 1⁄4 0:1102 kcal/mol and r 1⁄4 3:65 Å is used to describe the interaction between the SWCNT and the PE matrix, see [21].”
• Reinforcing efficiency of nanoparticles: A simple comparison for polymer nanocomposites (2008, background): “The existence of the interphase is strongly supported by molecular dynamics simulation results [23,24] and experimental observations that the viscoelastic behavior of the host polymer is significantly changed upon the incorporation of nanoparticles [21,22].”