Atomic coordination dictates vibrational characteristics and thermal conductivity in amorphous carbon
Abstract We discuss the role of atomic coordination in dictating the vibrational characteristics and thermal conductivity in amorphous carbon. Our systematic atomistic simulations on amorphous carbon structures at varying mass densities show the significant role played by the ratio of sp 2 to sp 3 h...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-04-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-022-00741-7 |