Lattice thermal conductivity of quartz at high pressure and temperature from the Boltzmann transport equation

2019 ◽  
Vol 126 (21) ◽  
pp. 215106
Author(s):  
Eugene J. Ragasa ◽  
Aleksandr Chernatynskiy ◽  
Simon R. Phillpot
Keyword(s):  
Thermal Conductivity ◽  
High Pressure ◽  
Transport Equation ◽  
Lattice Thermal Conductivity ◽  
Boltzmann Transport Equation ◽  
Boltzmann Transport ◽  
High Pressure And Temperature

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.

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.

Thermal Conductivity and Phonon Engineering in Low-Dimensional Structures

1998 ◽  
Vol 545 ◽  
Author(s):  
G. Chen ◽  
S. G. Volz ◽  
T. Borca-Tasciuc ◽  
T. Zeng ◽  
D. Song ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Heat Conduction ◽  
Transport Equation ◽  
Boltzmann Transport Equation ◽  
Dynamics Simulation ◽  
Boltzmann Transport ◽  
Model Based ◽  
Conduction Mechanisms ◽  
Interface Scattering ◽  
Low Dimensional

AbstractUnderstanding phonon heat conduction mechanisms in low-dimensional structures is of critical importance for low-dimensional thermoelectricity. In this paper, we discuss heat conduction mechanisms in two-dimensional (2D) and one-dimensional (1D) structures. Models based on both the phonon wave picture and particle picture are developed for heat conduction in 2D superlattices. The phonon wave model, based on the acoustic wave equations, includes the effects of phonon interference and tunneling, while the particle model, based on the Boltzmann transport equation, treats the internal as well interface scattering of phonons. For 1D systems, both the Boltzmann transport equation and molecular dynamics simulation approaches are employed. Comparing the modeling results with experimental data suggest that the interface scattering of phonons plays a crucial role in the thermal conductivity of low-dimensional structures. We also discuss the minimum thermal conductivity of low-dimensional structures based on a generalized thermal conductivity integral, and suggest that the minimum thermal conductivities of low-dimensional systems may differ from those of their corresponding bulk materials. The discussion leads to alternative ways to reduce thermal conductivity based on the propagating phonon modes.

scholarly journals Ultralow and anisotropic thermal conductivity in semiconductor As2Se3

2018 ◽  
Vol 20 (3) ◽  
pp. 1809-1816 ◽  
Author(s):  
Robert L. González-Romero ◽  
Alex Antonelli ◽  
Anderson S. Chaves ◽  
Juan J. Meléndez
Keyword(s):  
Thermal Conductivity ◽  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Lattice Thermal Conductivity ◽  
Boltzmann Transport Equation ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Functional Theory ◽  
Anisotropic Thermal Conductivity

An ultralow lattice thermal conductivity of 0.14 W m−1 K−1 along the b⃑ axis of As2Se3 single crystals was obtained at 300 K by first-principles calculations involving density functional theory and the resolution of the Boltzmann transport equation.

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