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dc.contributor.author
Bea, Edgar Alejandro
dc.contributor.author
Carusela, María Florencia
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Soba, Alejandro
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Monastra, Alejandro Gabriel
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Mancardo Viotti, Agustin Matias
dc.date.available
2022-09-22T14:43:48Z
dc.date.issued
2020-10
dc.identifier.citation
Bea, Edgar Alejandro; Carusela, María Florencia; Soba, Alejandro; Monastra, Alejandro Gabriel; Mancardo Viotti, Agustin Matias; Thermal conductance of structured silicon nanocrystals; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 28; 7; 10-2020; 1-15
dc.identifier.issn
0965-0393
dc.identifier.uri
http://hdl.handle.net/11336/169981
dc.description.abstract
We calculate the thermal conductance of a structured silicon nanocrystal with a hole of different sizes. The numerical study is based on non-equilibrium molecular dynamics simulations using two potential models for the interatomic interactions: (i) an empirical Tersoff-Brenner (Tersoff) potential; (ii) a semi-empirical tight binding (TB) potential. TB potential model predicts a similar thermal conductance for the nanocrystal with no hole and with a small size hole, which contrasts with the monotonic decrease predicted by Tersoff potential model. In addition, thermal conductance decreasing is higher for TB potential model when the surface-to-volume ratio increases. This points out that to study thermal properties of nanostructures with high surface-to-volume ratio is mandatory the use of potential models with high transferability to take adequately into account the relevant quantum physical effects due to boundaries and surfaces.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
IOP Publishing
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights
Atribución-NoComercial-CompartirIgual 2.5 Argentina (CC BY-NC-SA 2.5 AR)
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
HEAT TRANSPORT
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MOLECULAR DYNAMICS
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NANOCRYSTAL
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SILICON
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TERSOFF POTENTIAL
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THERMAL CONDUCTIVITY
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TIGHT BINDING POTENTIAL
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Thermal conductance of structured silicon nanocrystals
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-09-19T20:38:31Z
dc.journal.volume
28
dc.journal.number
7
dc.journal.pagination
1-15
dc.journal.pais
Reino Unido
dc.journal.ciudad
Londres
dc.description.fil
Fil: Bea, Edgar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
dc.description.fil
Fil: Carusela, María Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de General Sarmiento. Instituto de Ciencias; Argentina
dc.description.fil
Fil: Soba, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
dc.description.fil
Fil: Monastra, Alejandro Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de General Sarmiento. Instituto de Ciencias; Argentina
dc.description.fil
Fil: Mancardo Viotti, Agustin Matias. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de General Sarmiento. Instituto de Ciencias; Argentina
dc.journal.title
Modelling And Simulation In Materials Science And Engineering
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/1361-651X/aba8eb
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1088/1361-651X/aba8eb
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