Thermal conductivity prediction for GaN nanowires from atomistic potential
A model is developed to evaluate the thermal conductivity of semiconducting compounds as a function of their atomistic structures during phase transformations induced by mechanical loading. The approach uses atomistic configurational information and interatomic interactions as input. The harmonic an...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-07-01
|
| Series: | AIP Advances |
| Online Access: | http://link.aip.org/link/doi/10.1063/1.4816788 |
| id |
doaj-6b92623c0bb04a8db2d0d3aa8e3b254b |
|---|---|
| record_format |
Article |
| spelling |
doaj-6b92623c0bb04a8db2d0d3aa8e3b254b2020-11-24T20:59:43ZengAIP Publishing LLCAIP Advances2158-32262013-07-013707212307212310.1063/1.4816788Thermal conductivity prediction for GaN nanowires from atomistic potentialKwangsub JungMaenghyo ChoMin ZhouA model is developed to evaluate the thermal conductivity of semiconducting compounds as a function of their atomistic structures during phase transformations induced by mechanical loading. The approach uses atomistic configurational information and interatomic interactions as input. The harmonic and anharmonic behaviors of phonons are captured through force constants which are sensitive to structural changes. The calculations focus on changes in thermal conductivity of GaN nanowires in response to deformation and phase transformation. Results show that the model yields results consistent with data obtained using the Green-Kubo method and is 50 times more efficient than calculations based on molecular dynamics.http://link.aip.org/link/doi/10.1063/1.4816788 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Kwangsub Jung Maenghyo Cho Min Zhou |
| spellingShingle |
Kwangsub Jung Maenghyo Cho Min Zhou Thermal conductivity prediction for GaN nanowires from atomistic potential AIP Advances |
| author_facet |
Kwangsub Jung Maenghyo Cho Min Zhou |
| author_sort |
Kwangsub Jung |
| title |
Thermal conductivity prediction for GaN nanowires from atomistic potential |
| title_short |
Thermal conductivity prediction for GaN nanowires from atomistic potential |
| title_full |
Thermal conductivity prediction for GaN nanowires from atomistic potential |
| title_fullStr |
Thermal conductivity prediction for GaN nanowires from atomistic potential |
| title_full_unstemmed |
Thermal conductivity prediction for GaN nanowires from atomistic potential |
| title_sort |
thermal conductivity prediction for gan nanowires from atomistic potential |
| publisher |
AIP Publishing LLC |
| series |
AIP Advances |
| issn |
2158-3226 |
| publishDate |
2013-07-01 |
| description |
A model is developed to evaluate the thermal conductivity of semiconducting compounds as a function of their atomistic structures during phase transformations induced by mechanical loading. The approach uses atomistic configurational information and interatomic interactions as input. The harmonic and anharmonic behaviors of phonons are captured through force constants which are sensitive to structural changes. The calculations focus on changes in thermal conductivity of GaN nanowires in response to deformation and phase transformation. Results show that the model yields results consistent with data obtained using the Green-Kubo method and is 50 times more efficient than calculations based on molecular dynamics. |
| url |
http://link.aip.org/link/doi/10.1063/1.4816788 |
| work_keys_str_mv |
AT kwangsubjung thermalconductivitypredictionforgannanowiresfromatomisticpotential AT maenghyocho thermalconductivitypredictionforgannanowiresfromatomisticpotential AT minzhou thermalconductivitypredictionforgannanowiresfromatomisticpotential |
| _version_ |
1716781783513563136 |