Title

Theoretical study of the thermal conduction in Cu2S using machine learning-based interatomic potentials

DGIST Authors

Kang, Joongoo ; Kim, Sanghui ; Lee, Dooseok

Advisor

강준구

Co-Advisor(s)

Doo Seok Lee

Issued Date

2019

Awarded Date

2019-02

Citation

Sanghui Kim. (2019). Theoretical study of the thermal conduction in Cu2S using machine learning-based interatomic potentials. doi: 10.22677/thesis.200000171458

Type

Thesis

Table Of Contents

Abstract i
List of contents ii
List of figures iii

1. Introduction
1.1 Methods to calculate thermal conductivity 2
1.2 Solid-liquid hybrid phase Cu2S 3
2. Methods
2.1 Atomic simulation using machine learning 6
2.2 Green-Kubo method 12
3. Results and Discussion
3.1 Atomic energy 15
3.2 Thermal conductivity 18
4. Conclusion

URI

http://dgist.dcollection.net/common/orgView/200000171458
http://hdl.handle.net/20.500.11750/10704

DOI

10.22677/thesis.200000171458

Degree

MASTER

Department

Emerging Materials Science

Publisher

DGIST

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