Thermal rectification in silicon by a graded distribution of defects
We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed...
| Authors: | , , , |
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| Format: | article |
| Publication Date: | 2016 |
| Country: | España |
| Institution: | Universitat Autònoma de Barcelona |
| Repository: | Dipòsit Digital de Documents de la UAB |
| Language: | English |
| OAI Identifier: | oai:ddd.uab.cat:241010 |
| Online Access: | https://ddd.uab.cat/record/241010 https://dx.doi.org/urn:doi:10.1063/1.4953142 |
| Access Level: | Open access |
| Keyword: | Computer experiment Defect distribution Defect engineering Graded distributions Non-uniform distribution Nonequilibrium molecular dynamics simulation Rectification factors Substitutional defects |
| Summary: | We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed along the direction of an applied thermal bias, and predict a rectification factor comparable to what is observed in other low-dimensional Si-based nanostructures. By considering several defect distribution profiles, thermal bias conditions, and sample sizes, the present results suggest that a possible way for tuning the thermal rectification is by defect engineering. |
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