First principles-phonon Boltzmann transport equation solver


Solver package:

Gift-BTE (Coming up soon…)

 

Input phonon properties:

Discretized from first-principles phonon properties. Details can be found in:

Yue Hu, Yongxing Shen, Hua Bao*, Optimized Phonon Band Discretization Scheme for Efficiently Solving the Nongray Boltzmann Transport Equation. Journal of Heat Transfer, 144, 072501 2022 (link)

Silicon:

Mean free path (nm)

1.219

2.646

8.232

25.61

55.61

113.1

773.5

9504

64990

weight

1.052e+07

3.592e+07

9.202e+07

1.668e+08

1.395e+08

1.065e+08

7.017e+07

5.323e+06

1.232e+05

Gallium arsenide

Mean free path (nm)

31.51

65.26

168.7

349.5

573.3

1773

7738

23930

weight

1.052e+07

3.592e+07

9.202e+07

1.668e+08

1.395e+08

1.065e+08

7.017e+07

5.323e+06

Diamond

Mean free path

(nm)

448.1

602.7

800.2

1615

4826

16110

49620

10020

weight

4.804e+10

4.117e+11

2.739e+11

6.023e+10

1.056e+10

1.015e+09

1.353e+08

5.509e+07

Lead telluride

Mean free path

(nm)

0.87

1.371

2.663

5.172

8.140

13.49

51.52

196.7

weight

1.779e+08

2.014e+08

6.585e+08

3.232e+08

1.148e+08

9.753e+07

8.587e+06

2.567e+05