Computational Studies of Thermal Transport Properties of Carbon Nanotube Materials

  • Leonid V. ZhigileiEmail author
  • Richard N. Salaway
  • Bernard K. Wittmaack
  • Alexey N. Volkov


Computer modeling is playing an increasingly important role in investigations of the thermal transfer properties of carbon nanotube (CNT) materials. The complex and inherently multiscale nature of the structural organization of the CNT network materials necessitates combination of atomistic and mesoscopic simulation techniques which provide complementary information on different aspects of the heat transfer in CNT materials and facilitate the development of theoretical models describing the general structure—thermal transport relationships. In this chapter, we provide a brief overview of the results of atomistic simulation studies of the intrinsic thermal conductivity of individual CNTs and inter-tube contact conductance, discuss the emerging mesoscopic computational approaches to the calculation of the effective thermal conductivity of CNT materials, and highlight the importance of combining the results obtained with different computational methods and dealing with processes occurring at different time and length scales. A number of research questions that have been subjects of contradictory claims and controversial discussion in literature are critically reviewed and promising future research directions are suggested.


Molecular Dynamic Simulation Atomistic Simulation Contact Conductance Thermal Transport Property Mesoscopic Model 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



The authors acknowledge financial support provided by the National Aeronautics and Space Administration (NASA) through an Early Stage Innovations grant from NASA’s Space Technology Research Grants Program (NNX16AD99G) and by the Air Force Office of Scientific Research (AFOSR) through the AFOSR’s Thermal Sciences program (FA9550-10-10545). Computational support is provided by the National Science Foundation (NSF) through the Extreme Science and Engineering Discovery Environment (Projects TG-DMR110090 and TG-DMR130010).


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Copyright information

© Springer International Publishing Switzerland 2017

Authors and Affiliations

  • Leonid V. Zhigilei
    • 1
    Email author
  • Richard N. Salaway
    • 2
  • Bernard K. Wittmaack
    • 1
  • Alexey N. Volkov
    • 3
  1. 1.Department of Materials Science and EngineeringUniversity of VirginiaCharlottesvilleUSA
  2. 2.Department of Mechanical and Aerospace EngineeringUniversity of VirginiaCharlottesvilleUSA
  3. 3.Department of Mechanical EngineeringUniversity of AlabamaTuscaloosaUSA

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