scholarly journals Thermal expansion and impurity effects on lattice thermal conductivity of solid argon

2004 ◽  
Vol 120 (8) ◽  
pp. 3841-3846 ◽  
Author(s):  
Yunfei Chen ◽  
Jennifer R. Lukes ◽  
Deyu Li ◽  
Juekuan Yang ◽  
Yonghua Wu
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
Lattice Thermal Conductivity ◽  
Impurity Effects ◽  
Solid Argon

Thermal expansion induced reduction of lattice thermal conductivity in light crystals

2017 ◽  
Vol 381 (40) ◽  
pp. 3514-3518 ◽  
Author(s):  
Xiuxian Yang ◽  
Yinchang Zhao ◽  
Zhenhong Dai ◽  
Muhammad Zulfiqar ◽  
Jingzhong Zhu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
Lattice Thermal Conductivity

Thermal Expansion and Isotopic Composition Effects on Lattice Thermal Conductivities of Crystalline Silicon

2006 ◽  
Author(s):  
Yunfei Chen ◽  
Guodong Wang ◽  
Deyu Li ◽  
Jennifer R. Lukes
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
Md Simulation ◽  
Lattice Thermal Conductivity ◽  
Mass Difference ◽  
Dynamics Simulation ◽  
Temperature Range ◽  
Simulation Results ◽  
Callaway Model ◽  
Thermal Conductivities

Equilibrium molecular dynamics simulation is used to calculate lattice thermal conductivities of crystal silicon in the temperature range from 400K to 1600K. Simulation results confirmed that thermal expansion, which resulted in the increase of the lattice parameter, caused the decrease of the lattice thermal conductivity. The simulated results proved that thermal expansion imposed another type resistance on phonon transport in crystal materials. Isotopic and vacancy effects on lattice thermal conductivity are also investigated and compared with the prediction from the modified Debye Callaway model. It is demonstrated in the MD simulation results that the isotopic effect on lattice thermal conductivity is little in the temperature range from 400K to 1600K for isotopic concentration below 1%, which implies the isotopic scattering on phonon due to mass difference can be neglected over the room temperature. The remove of atoms from the crystal matrix caused mass difference and elastic strain between the void and the neighbor atoms, which resulted in vacancy scattering on phonons. Simulation results demonstrated this mechanism is stronger than that caused by isotopic scattering on phonons due to mass difference. A good agreement is obtained between the MD simulation results of silicon crystal with vacancy defects and the data predicted from the modified Debye Callaway model. This conclusion is helpful to demonstrate the validity of Klemens' Rayleigh model for impurity scattering on phonons.

The Effects of Different Doping Pattern on the Lattice Thermal Conductivity of Solid Ar

2009 ◽  
Author(s):  
Yanyan Zhao ◽  
Yunfei Chen ◽  
Kedong Bi ◽  
Zan Wang ◽  
Yanyan Ge ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Critical Role ◽  
Impurity Scattering ◽  
Pure Argon ◽  
Interface Scattering ◽  
Calculation Results ◽  
Solid Argon ◽  
Dynamics Method ◽  
Uniform Doping

Equilibrium molecular dynamics method is performed to calculate the lattice thermal conductivities of solid argon doped with krypton in different geometrical distributions. The effects of centralization doping, monolayer doping, uniform doping, non-uniform doping, random doping and cubic pattern doping on the thermal conductivity of argon crystal are investigated respectively. The results demonstrate that, the uniformity of the impurity distribution plays a critical role in the thermal conductivity of solid argon. It is found that the lowest thermal conductivity could be achieved by organizing the impurity in a cubic pattern. Because both the phonon-impurity scattering and the stronger phonon-interface scattering can destroy the coherence of phonons. Calculation results suggest that the minimum thermal conductivity value among six different kinds of impurity arrangements is roughly 1.90 times lower than that of pure argon under the temperature of 17K. However, the values of thermal conductivity are almost the same as those of pure argon at higher temperatures.

scholarly journals Ultra-high lattice thermal conductivity and the effect of pressure in superhard hexagonal BC2N

2020 ◽  
Vol 8 (44) ◽  
pp. 15705-15716
Author(s):  
Safoura Nayeb Sadeghi ◽  
S. Mehdi Vaez Allaei ◽  
Mona Zebarjadi ◽  
Keivan Esfarjani
Keyword(s):  
Thermal Conductivity ◽  
Thermal Expansion ◽  
First Principles ◽  
Heat Sink ◽  
Lattice Thermal Conductivity ◽  
Electronic Devices ◽  
Thermomechanical Properties ◽  
High Thermal Conductivity ◽  
Effect Of Pressure

Using first-principles methods to calculate thermomechanical properties of BC2N, we investigate the effect of pressure on its high thermal conductivity and show that its thermal expansion matches that of Si, making it a good candidate as a heat sink for electronic devices.

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