Ab initio lattice thermal conductivity of MgO from a complete solution of the linearized Boltzmann transport equation

2017 ◽  
Vol 95 (18) ◽  
Author(s):  
Haruhiko Dekura ◽  
Taku Tsuchiya
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Transport Equation ◽  
Lattice Thermal Conductivity ◽  
Complete Solution ◽  
Boltzmann Transport Equation ◽  
Boltzmann Transport

Disparate strain response of the thermal transport properties of bilayer penta-graphene as compared to that of monolayer penta-graphene

2019 ◽  
Vol 21 (28) ◽  
pp. 15647-15655 ◽  
Author(s):  
Zhehao Sun ◽  
Kunpeng Yuan ◽  
Xiaoliang Zhang ◽  
Guangzhao Qin ◽  
Xiaojing Gong ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Transport Equation ◽  
First Principles ◽  
Room Temperature ◽  
Lattice Thermal Conductivity ◽  
Boltzmann Transport Equation ◽  
Strain Response ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Strain Modulation

In this study, strain modulation of the lattice thermal conductivity of monolayer and bilayer penta-graphene (PG) at room temperature was investigated using first-principles calculations combined with the phonon Boltzmann transport equation.

Effects of tensile strain and finite size on thermal conductivity in monolayer WSe2

2019 ◽  
Vol 21 (1) ◽  
pp. 468-477 ◽  
Author(s):  
Kunpeng Yuan ◽  
Xiaoliang Zhang ◽  
Lin Li ◽  
Dawei Tang
Keyword(s):  
Thermal Conductivity ◽  
Transport Equation ◽  
First Principles ◽  
Tensile Strain ◽  
Lattice Thermal Conductivity ◽  
Boltzmann Transport Equation ◽  
Finite Size ◽  
Boltzmann Transport ◽  
Size Dependent

The strain- and size-dependent lattice thermal conductivity of monolayer WSe2 has been investigated using the first-principles based Boltzmann transport equation.

scholarly journals Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles

Nanomaterials ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 704 ◽  
Author(s):  
Fernan Saiz ◽  
Jesus Carrete ◽  
Riccardo Rurali
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Transport Equation ◽  
First Principles ◽  
Boltzmann Transport Equation ◽  
Iterative Solution ◽  
Boltzmann Transport ◽  
Fundamental Symmetries ◽  
Phonon Branch ◽  
Anisotropic Thermal Conductivity

We study the thermal conductivity of monolayer, bilayer, and bulk titanium trisulphide (TiS 3 ) by means of an iterative solution of the Boltzmann transport equation based on ab-initio force constants. Our results show that the thermal conductivity of these layers is anisotropic and highlight the importance of enforcing the fundamental symmetries in order to accurately describe the quadratic dispersion of the flexural phonon branch near the center of the Brillouin zone.

Study of an Iterative Solution for Boltzmann Transport Equation and Calculation of Thermal Conductivity

2018 ◽  
Vol 777 ◽  
pp. 421-425 ◽  
Author(s):  
Chhengrot Sion ◽  
Chung Hao Hsu
Keyword(s):  
Heat Transfer ◽  
Thermal Conductivity ◽  
Numerical Calculation ◽  
Iterative Method ◽  
Transport Equation ◽  
Linear Systems ◽  
Heat Transport ◽  
Boltzmann Transport Equation ◽  
Iterative Solution ◽  
Boltzmann Transport

Many methods have been developed to predict the thermal conductivity of the material. Heat transport is complex and it contains many unknown variables, which makes the thermal conductivity hard to define. The iterative solution of Boltzmann transport equation (BTE) can make the numerical calculation and the nanoscale study of heat transfer possible. Here, we review how to apply the iterative method to solve BTE and many linear systems. This method can compute a sequence of progressively accurate iteration to approximate the solution of BTE.

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