Thermal conductivity dependence on chain length in amorphous polymers

2013 ◽  
Vol 113 (18) ◽  
pp. 184304 ◽  
Author(s):  
Junhua Zhao ◽  
Jin-Wu Jiang ◽  
Ning Wei ◽  
Yancheng Zhang ◽  
Timon Rabczuk
Keyword(s):  
Thermal Conductivity ◽  
Chain Length ◽  
Amorphous Polymers

Chain length effect on thermal transport in amorphous polymers and a structure–thermal conductivity relation

2019 ◽  
Vol 21 (28) ◽  
pp. 15523-15530 ◽  
Author(s):  
Xingfei Wei ◽  
Tengfei Luo
Keyword(s):  
Thermal Conductivity ◽  
Chain Length ◽  
Thermal Transport ◽  
Heat Exchangers ◽  
Amorphous Polymers ◽  
Electronics Packaging ◽  
Length Effect

The physics of thermal transport in polymers is important in many applications, such as in heat exchangers and electronics packaging.

Corrigendum to “Correlation and prediction of thermal conductivity of amorphous polymers”

2001 ◽  
Vol 192 (1-2) ◽  
pp. 209 ◽  
Author(s):  
Chongli Zhong ◽  
Qingyuan Yang ◽  
Wenchuan Wang
Keyword(s):  
Thermal Conductivity ◽  
Amorphous Polymers

Anharmonicity Dependent Heat Conduction in One-Dimensional Lattices

2013 ◽  
Vol 209 ◽  
pp. 129-132 ◽  
Author(s):  
Shreya Shah ◽  
Tejal N. Shah ◽  
P.N. Gajjar
Keyword(s):  
Thermal Conductivity ◽  
Numerical Simulation ◽  
Heat Flux ◽  
Heat Conduction ◽  
Temperature Gradient ◽  
Temperature Profile ◽  
Chain Length ◽  
Interparticle Interactions ◽  
One Dimensional ◽  
Harmonic Chain

The temperature profile, heat flux and thermal conductivity are investigated for the chain length of 67 one-dimensional (1-D) oscillators. FPU-β and FK models are used for interparticle interactions and substrate interactions, respectively. As harmonic chain does not produce temperature gradient along the chain, it is required to introduce anharmonicity in the numerical simulation. The anharmonicity dependent temperature profile, thermal conductivity and heat flux are simulated for different strength of anharmonicity β = 0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1. It is concluded that heat flux obeys J = 0.3947 e0.553β with R2 = 0.9319 and thermal conductivity obeys κ = 0.0276 e0.5559β with R2 = 0.9319.

scholarly journals Explore High Thermal Conductivity Amorphous Polymers using Reinforcement Learning

2021 ◽  
Author(s):  
RUIMIN MA ◽  
Hanfeng Zhang ◽  
Tengfei Luo
Keyword(s):  
Thermal Conductivity ◽  
Reinforcement Learning ◽  
Conductive Polymer ◽  
Md Simulations ◽  
Amorphous Polymers ◽  
Inverse Design ◽  
Materials Development ◽  
Material Development ◽  
Machine Learning Model ◽  
Thermally Conductive

Developing amorphous polymers with desirable thermal conductivity has significant implications, as they are ubiquitous in applications where thermal transport is critical. Conventional Edisonian approaches are slow and without guarantee of success in material development. In this work, using a reinforcement learning scheme, we design polymers with thermal conductivity above 0.4 W/m- K. We leverage a machine learning model trained against 469 thermal conductivity data calculated from high-throughput molecular dynamics (MD) simulations as the surrogate for thermal conductivity prediction, and we use a recurrent neural network trained with around one million virtual polymer structures as a polymer generator. For all newly generated polymers with thermal conductivity > 0.400 W/m-K, we have evaluated their synthesizability by calculating the synthesis accessibility score and validated the thermal conductivity of selected polymers using MD simulations. The best thermally conductive polymer designed has a MD-calculated thermal conductivity of 0.693 W/m-K, which is also estimated to be easily synthesizable. Our demonstrated inverse design scheme based on reinforcement learning may advance polymer development with target properties, and the scheme can also be generalized to other materials development tasks for different applications.

Discovering Size Effect of Thermal Conductivity of Amorphous Polymers

2021 ◽  
Author(s):  
Tianli Feng ◽  
Jixiong He ◽  
Amit Rai ◽  
Diana Hun ◽  
Jun Liu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Size Effect ◽  
Amorphous Polymers
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