Δημοσιεύσεις

Project Acronym: AIMONACA
Title: Ab initio modelling of nanoparticle catalysts
Affiliation: aristotle university of thessaloniki
Pi: Joseph Kioseoglou
Research Field: chemical sciences and materials

Decorated Dislocations against Phonon Propagation for Thermal Management
by S. Giaremis, J. Kioseoglou, P. Desmarchelier, A. Tanguy, M. Isaiev, I. Belabbas, P. Komninou, K. Termentzidis.
Abstract:
Τhe impact of decorated dislocations on the effective thermal conductivity of GaN is investigated by means of equilibrium molecular dynamics simulations via the Green–Kubo approach. The formation of In embedded nanowires in the core of dislocations in wurtzite GaN is found to affect the thermal properties of the material, as it leads to a significant decrease of the thermal conductivity, along with an enhancement of its anisotropic character. The thermal conductivity of In-decorated dislocations is compared to the ones of pristine GaN, InN, and random and ordered In$_x$Ga$_{1–x}$N alloys to examine the impact of doping. The temperature dependence of the thermal conductivity is also examined. Results are explained by the stress maps, the bonding properties, the phonon density of states, and the wavepacket propagation analysis of the aforementioned systems. The decorated dislocations engineering is proposed as a way to tune, among other transport properties, the effective thermal conductivity of materials at the nanoscale, which can lead to the manufacturing of interesting candidates for thermoelectric or anisotropic thermal dissipation devices.
Reference:
Decorated Dislocations against Phonon Propagation for Thermal Management (S. Giaremis, J. Kioseoglou, P. Desmarchelier, A. Tanguy, M. Isaiev, I. Belabbas, P. Komninou, K. Termentzidis.), In ACS Applied Energy Materials, volume 3, 2020.
Bibtex Entry:
@article{doi:10.1021-acsaem.9b02368,
 author = {S. Giaremis, J. Kioseoglou, P. Desmarchelier, A. Tanguy, M. Isaiev, I. Belabbas, P. Komninou, K. Termentzidis.},
 doi = {10.1021/acsaem.9b02368},
 url = {https://doi.org/10.1021/acsaem.9b02368},
 year = {2020},
 bibyear = {2020},
 journal = {ACS Applied Energy Materials},
 abstract = {Τhe impact of decorated dislocations on the effective thermal conductivity of GaN is investigated by means of equilibrium molecular dynamics simulations via the Green–Kubo approach. The formation of In embedded nanowires in the core of dislocations in wurtzite GaN is found to affect the thermal properties of the material, as it leads to a significant decrease of the thermal conductivity, along with an enhancement of its anisotropic character. The thermal conductivity of In-decorated dislocations is compared to the ones of pristine GaN, InN, and random and ordered In$_x$Ga$_{1–x}$N alloys to examine the impact of doping. The temperature dependence of the thermal conductivity is also examined. Results are explained by the stress maps, the bonding properties, the phonon density of states, and the wavepacket propagation analysis of the aforementioned systems. The decorated dislocations engineering is proposed as a way to tune, among other transport properties, the effective thermal conductivity of materials at the nanoscale, which can lead to the manufacturing of interesting candidates for thermoelectric or anisotropic thermal dissipation devices.},
 volume = {3},
 number = {},
 pages = {2682-2694},
 title = {Decorated Dislocations against Phonon Propagation for Thermal Management },
}