Document Type
Dissertation - Open Access
Award Date
2025
Degree Name
Doctor of Philosophy (PhD)
Department / School
Mechanical Engineering
First Advisor
Zhong Hu
Abstract
The application of carbon nanotube (CNT)-reinforced epoxy matrix composites (CRECs) has attracted extensive attention in various industrial sectors due to the significant improvement of material properties imparted by CNTs. The thermal behavior of these nanocomposites is governed by complex heat transfer mechanisms operating at different scales, resulting in a complex relationship between the effective thermal response and the microstructural characteristics of the composite. In this study, molecular dynamics (MD) simulations were used to investigate the thermal conductivity of CRECs, focusing on the effects of key parameters such as the length and volume fraction of CNTs, the degree of cross-linking within the epoxy matrix, and the temperature on the overall thermal properties. To establish a foundational understanding of how the nanoscale characteristics of the composite components affect their effective thermal properties, The thermal behavior of its constituents is studied separately, considering various aspects of their geometry, physical attributes, and chemical properties. By systematically varying those key parameters, the study comprehensively evaluates how nanoscale interactions and structural modifications affect the overall thermal conductivity of CRECs, providing valuable insights for optimizing their design for advanced thermal management applications. The simulation results were validated by comparing them with experimental data from literature and analytical predictions based on the rule of mixture. The results show that for the configurations examined, the thermal conductivity of CRECs increases with increasing CNT length and volume fraction, epoxy cross-linking degree, and the system temperature. From a broader perspective, the approach presented here has the potential to be applied to study a wide range of materials and their properties.
Publisher
South Dakota State University
Recommended Citation
Najmi, Lida, "Molecular Dynamics Simulations of Key Parameters on Thermal Properties of Carbon Nanotube Modified Epoxy Composites" (2025). Electronic Theses and Dissertations. 1550.
https://openprairie.sdstate.edu/etd2/1550
Rights Statement
