Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation

2016 ◽  
Vol 120 (7) ◽  
pp. 1336-1346 ◽  
Author(s):  
Yangyang Gao ◽  
Florian Müller-Plathe
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Effective Medium ◽  
Polymer Chains ◽  
Effective Medium Approximation ◽  
Grafted Polymer

Effect of Particle Size and Aggregation on Thermal Conductivity of Metal–Polymer Nanocomposite

2016 ◽  
Vol 139 (2) ◽  
Author(s):  
Xiangyu Li ◽  
Wonjun Park ◽  
Yong P. Chen ◽  
Xiulin Ruan
Keyword(s):  
Thermal Conductivity ◽  
Effective Medium Theory ◽  
Low Cost ◽  
Polymer Nanocomposite ◽  
Theoretical Models ◽  
Effective Medium ◽  
Metal Nanoparticle ◽  
Effective Medium Approximation ◽  
Local Concentration ◽  
Aggregation Effect

Metal nanoparticle has been a promising option for fillers in thermal interface materials due to its low cost and ease of fabrication. However, nanoparticle aggregation effect is not well understood because of its complexity. Theoretical models, like effective medium approximation model, barely cover aggregation effect. In this work, we have fabricated nickel–epoxy nanocomposites and observed higher thermal conductivity than effective medium theory predicts. Smaller particles are also found to show higher thermal conductivity, contrary to classical models indicate. A two-level effective medium approximation (EMA) model is developed to account for aggregation effect and to explain the size-dependent enhancement of thermal conductivity by introducing local concentration in aggregation structures.

Thermal Conductivity of Polyethylene Chains Using Molecular Dynamics Simulations

2008 ◽  
Author(s):  
Asegun Henry ◽  
Gang Chen
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chains ◽  
High Thermal Conductivity ◽  
Polymer Materials ◽  
Single Chain ◽  
Wide Range ◽  
Dynamics Simulations ◽  
Limiting Case

We used molecular dynamics simulations to calculate the thermal conductivity of polyethylene chains, by employing the widely used Green-Kubo formula. The simulations use the AIREBO potential and employ periodic boundary conditions to mimic the dynamics of an infinite chain. In this limiting case, we observed that when the simulation domain is large enough the thermal conductivity diverges. The results suggest that single polymer chains intrinsically have high thermal conductivity. Although polymers are generally known to have low thermal conductivity, our observation of divergent thermal conductivity in a single chain suggests that high thermal conductivity polymer materials can be engineered, which would be of interest to a wide range of applications.

Temperature dependence of thermal conductivity in hybrid nanodispersions

RSC Advances ◽  
2015 ◽  
Vol 5 (4) ◽  
pp. 2768-2776 ◽  
Author(s):  
Arash Behrang ◽  
Miroslav Grmela ◽  
Charles Dubois ◽  
Sylvain Turenne ◽  
Pierre G. Lafleur
Keyword(s):  
Thermal Conductivity ◽  
Temperature Dependence ◽  
Effective Medium ◽  
Effective Medium Approximation

Modified Maxwell homogenization (also called modified effective medium approximation) is used to investigate temperature dependence of hybrid nanodispersions with particles of various shapes and sizes.

Effective Medium Approximation for Composite from Three-layered Spherical Particles

PIERS Online ◽  
2009 ◽  
Vol 5 (4) ◽  
pp. 365-368 ◽  
Author(s):  
D. M. Dolgushin ◽  
Anton P. Anzulevich ◽  
V. D. Buchelnikov ◽  
I. V. Bychkov ◽  
Dmitri V. Louzguine-Luzgin
Keyword(s):  
Effective Medium ◽  
Spherical Particles ◽  
Effective Medium Approximation

Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics

2021 ◽  
Vol 129 (15) ◽  
pp. 155105
Author(s):  
Fernan Saiz ◽  
Yenal Karaaslan ◽  
Riccardo Rurali ◽  
Cem Sevik
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Interatomic Potential
Sign in / Sign up

Export Citation Format

Share Document