Size Effect of Lattice Thermal Conductivity Across Nanoscale Thin Films by Molecular Dynamics Simulations

2001 ◽  
Vol 18 (3) ◽  
pp. 416-418 ◽  
Author(s):  
Feng Xiao-Li ◽  
Li Zhi-Xin ◽  
Guo Zeng-Yuan
Keyword(s):  
Thin Films ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Size Effect ◽  
Molecular Dynamics Simulations ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulations

Interface and Strain Effects on the Thermal Conductivity of Heterostructures: A Molecular Dynamics Study

2002 ◽  
Vol 124 (5) ◽  
pp. 963-970 ◽  
Author(s):  
Alexis R. Abramson ◽  
Chang-Lin Tien ◽  
Arun Majumdar
Keyword(s):  
Thin Films ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Film Thickness ◽  
Molecular Dynamics Simulations ◽  
Effective Thermal Conductivity ◽  
Lattice Strain ◽  
Unit Length ◽  
Single Interface ◽  
Dynamics Simulations

Molecular dynamics simulations are used to examine how thermal transport is affected by the presence of one or more interfaces. Parameters such as film thickness, the ratio of respective material composition, the number of interfaces per unit length, and lattice strain are considered. Results indicate that for simple nanoscale strained heterostructures containing a single interface, the effective thermal conductivity may be less than half the value of an average of the thermal conductivities of the respective unstrained thin films. Increasing the number of interfaces per unit length, however, does not necessarily result in a corresponding decrease in the effective thermal conductivity of the superlattice.

Nanowires with dislocations for ultralow lattice thermal conductivity

2016 ◽  
Vol 18 (15) ◽  
pp. 9888-9892 ◽  
Author(s):  
Jihong Al-Ghalith ◽  
Yuxiang Ni ◽  
Traian Dumitrică
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermoelectric Materials ◽  
Lattice Thermal Conductivity ◽  
Screw Dislocations ◽  
Dynamics Simulations

Molecular dynamics simulations predict that screw dislocations lower the thermal conductivity of thermoelectric materials.

scholarly journals Effect of vacancy concentration on the lattice thermal conductivity of CH3NH3PbI3: a molecular dynamics study

RSC Advances ◽  
2021 ◽  
Vol 11 (54) ◽  
pp. 34015-34023
Author(s):  
Song-Nam Hong ◽  
Chol-Jun Yu ◽  
Un-Gi Jong ◽  
Song-Hyok Choe ◽  
Yun-Hyok Kye
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Lattice Thermal Conductivity ◽  
Vacancy Concentration ◽  
Dynamics Simulations

Molecular dynamics simulations with the MYP force field were performed to determine the thermal conductivity of perfect and defective bulk MAPbI3. Thermal conductivity was found to decrease overall as the vacancy concentration increased.

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