# Heat transport exploration through the GaN/diamond interfaces using machine learning potential

https://mdr.nims.go.jp/datasets/02975058-6f1d-4205-a0d2-b11127f3ff37

## File

- [Exploring the Effect of Temperature and Interface Atom Type on Heat Transport through the GaNdiamond Interfaces using Machine Learning Potential_Zhanpeng Sun-Prof. Liao.docx](https://mdr.nims.go.jp/filesets/2c5554ab-2f66-44dc-9b56-b25f1984d0ce/download) ([Detail](https://mdr.nims.go.jp/filesets/2c5554ab-2f66-44dc-9b56-b25f1984d0ce.md))

## Id

02975058-6f1d-4205-a0d2-b11127f3ff37

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-04-21T07:49:46.829625Z

## Updated at

2025-04-22T03:30:10.602187Z

## Published at

2025-04-22T03:25:15.081181Z

## Doi

https://doi.org/10.48505/nims.5446

## First published url

https://doi.org/10.1016/j.ijheatmasstransfer.2025.126724

## Date published

2025-01-16

## Recorded date published

2025-5

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Heat transport exploration through the GaN/diamond interfaces using machine
    learning potential
  title_type: original
  lang: en

## Description

- description: Gallium nitride (GaN) electronic devices are highly pursued for high-power
    and high-frequency applications because of their superior performance characteristics.
    Although GaN has great potential, heat management is a major obstacle to its application
    in high-power devices due to its inherently low thermal conductivity. One viable
    approach to address this issue is to combine GaN with a diamond heat sink. However,
    the heat transfer at interfaces has emerged as a critical challenge in effective
    thermal management. In this research, a neuroevolution potential (NEP) is trained
    that can improve the accuracy of thermal property predictions, which can effectively
    address the issues of imprecise thermal performance predictions for GaN/diamond
    heterostructures with traditional potentials. The temperature-dependent and interface
    atom-dependent thermal boundary resistance (TBR) of GaN/diamond heterostructures
    after interfacial bonding have been investigated using molecular dynamics simulations
    based on NEP. The TBR for the GaN/diamond heterostructures has been estimated
    over the temperature range of 200–600 K. At 300 K, the TBR of different interface
    structures ranges from 2.22 to 3.26 m<sup>2</sup>⋅K⋅GW<sup> &minus;1</sup>, which
    is in perfect agreement with the value predicted by diffusion mismatch model (DMM)
    theory (~3 m<sup>2</sup>⋅K⋅GW<sup> &minus;1</sup>). Furthermore, it is observed
    that the TBR decreases with the increasing temperature and shows an approximately
    linear relationship. It can also be found that the TBR of the heterostructure
    bonded by C atoms and N atoms at the interface is about 25 % lower than that of
    the heterostructure bonded by C atoms and Ga atoms. Then, the mechanism behind
    the above phenomenon is explained by analyzing the vibration density of states
    (VDOS), phonon participation ratio (PPR) and total phonon participation contribution
    (TPPC). Finally, the insightful optimization strategies based on temperature and
    GaN atomic types at the interface have been proposed, laying the groundwork for
    better design and management of GaN/diamond interfaces.
  description_type: abstract
  lang: und

## Creator

- name: Zhanpeng Sun
  role: author
- name: Yunfei Song
  role: author
- name: Zijun Qi
  role: author
- name: Xiang Sun
  role: author
- name: Meiyong Liao
  role: author
  orcid: https://orcid.org/0000-0003-1361-4266
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Rui Li
  role: author
- name: Qijun Wang
  role: author
  orcid: https://orcid.org/0000-0002-4299-3798
- name: Lijie Li
  role: author
- name: Gai Wu
  role: author
  orcid: https://orcid.org/0000-0002-9726-6328
- name: Wei Shen
  role: author
- name: Sheng Liu
  role: author

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: thermal conductivity
  schema: not_defined
- subject: GaN
  schema: not_defined
- subject: Diamond
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: International Journal of Heat and Mass Transfer
  issn: '00179310'
  volume: '241'
  article_number: '126724'

## Conference



## Related item



## Funding

- funder_name: Fundamental Research Funds for the Central Universities
- funder_name: National Natural Science Foundation of China
- funder_name: China Scholarship Council

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



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## Custom property



## Fileset

- id: 2c5554ab-2f66-44dc-9b56-b25f1984d0ce
  filename: Exploring the Effect of Temperature and Interface Atom Type on Heat Transport
    through the GaNdiamond Interfaces using Machine Learning Potential_Zhanpeng Sun-Prof.
    Liao.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 11997786
  md5: af4e402faea4d00d88b10ed7c95b2c53

## Thumbnail

fileset_id: 2c5554ab-2f66-44dc-9b56-b25f1984d0ce
filename: Exploring the Effect of Temperature and Interface Atom Type on Heat Transport
  through the GaNdiamond Interfaces using Machine Learning Potential_Zhanpeng Sun-Prof.
  Liao.docx