Temperature profiles and thermal conductivities of nanostructured transition metal dichalcogenides
| Autor: | Mihail M. Sigalas, A. P. Sgouros, George Kalosakas, A. Konstantopoulou |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Fluid Flow and Transfer Processes
Materials science Condensed matter physics Band gap Mechanical Engineering Nanostructured materials food and beverages 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 010305 fluids & plasmas Molecular dynamics Thermal conductivity Thermal transport Transition metal Condensed Matter::Superconductivity embryonic structures 0103 physical sciences Thermal 0210 nano-technology |
| Zdroj: | International Journal of Heat and Mass Transfer. 140:579-586 |
| ISSN: | 0017-9310 |
| Popis: | Thermal transport in nanostructured transition metal dichalcogenides has been examined using molecular dynamics simulations. The study is focused on the calculation of the thermal conductivities of pristine and periodically patterned MX2 crystals, assessing the effects of patterning these materials with stripes of substitutional defects. The influence of several patterning parameters has been examined, such as the number and the width of defect stripes and the separation distance between consecutive stripes. The effect of a single defect stripe is also discussed for different compositions of the MX2 crystals and atomic types of substitutional defects. The thermal conductivity of pristine MX2 materials is reversely related to the width of the phononic band gap. Nanostructured materials with stripes of substitutional defects exhibit discontinuous temperature profiles with step-like characteristics, whilst the effect becomes weaker with increasing defect density. The thermal conductivity of periodically patterned crystals is much lower than the one of the pristine materials and increases by increasing the number of defect stripes. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect