Thermal properties of carbyne nanostructures

Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single a...
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Autor*in:	Yan He [verfasserIn] Huakai Xu [verfasserIn] Gang Ouyang [verfasserIn] Guowei Yang [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	Carbyne chain Carbyne ring Thermal properties

Übergeordnetes Werk:	In: Results in Physics - Elsevier, 2015, 34(2022), Seite 105311-
Übergeordnetes Werk:	volume:34 ; year:2022 ; pages:105311-

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1016/j.rinp.2022.105311

Katalog-ID:	DOAJ019571828

Internformat


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publishDate	2022
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spelling	10.1016/j.rinp.2022.105311 doi (DE-627)DOAJ019571828 (DE-599)DOAJcfc90ab8c3b542eeb0e0db040ed7075e DE-627 ger DE-627 rakwb eng QC1-999 Yan He verfasserin aut Thermal properties of carbyne nanostructures 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level. Carbyne chain Carbyne ring Thermal properties Physics Huakai Xu verfasserin aut Gang Ouyang verfasserin aut Guowei Yang verfasserin aut In Results in Physics Elsevier, 2015 34(2022), Seite 105311- (DE-627)670211257 (DE-600)2631798-9 22113797 nnns volume:34 year:2022 pages:105311- https://doi.org/10.1016/j.rinp.2022.105311 kostenfrei https://doaj.org/article/cfc90ab8c3b542eeb0e0db040ed7075e kostenfrei http://www.sciencedirect.com/science/article/pii/S2211379722000973 kostenfrei https://doaj.org/toc/2211-3797 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 34 2022 105311-
allfields_unstemmed	10.1016/j.rinp.2022.105311 doi (DE-627)DOAJ019571828 (DE-599)DOAJcfc90ab8c3b542eeb0e0db040ed7075e DE-627 ger DE-627 rakwb eng QC1-999 Yan He verfasserin aut Thermal properties of carbyne nanostructures 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level. Carbyne chain Carbyne ring Thermal properties Physics Huakai Xu verfasserin aut Gang Ouyang verfasserin aut Guowei Yang verfasserin aut In Results in Physics Elsevier, 2015 34(2022), Seite 105311- (DE-627)670211257 (DE-600)2631798-9 22113797 nnns volume:34 year:2022 pages:105311- https://doi.org/10.1016/j.rinp.2022.105311 kostenfrei https://doaj.org/article/cfc90ab8c3b542eeb0e0db040ed7075e kostenfrei http://www.sciencedirect.com/science/article/pii/S2211379722000973 kostenfrei https://doaj.org/toc/2211-3797 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 34 2022 105311-
allfieldsGer	10.1016/j.rinp.2022.105311 doi (DE-627)DOAJ019571828 (DE-599)DOAJcfc90ab8c3b542eeb0e0db040ed7075e DE-627 ger DE-627 rakwb eng QC1-999 Yan He verfasserin aut Thermal properties of carbyne nanostructures 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level. Carbyne chain Carbyne ring Thermal properties Physics Huakai Xu verfasserin aut Gang Ouyang verfasserin aut Guowei Yang verfasserin aut In Results in Physics Elsevier, 2015 34(2022), Seite 105311- (DE-627)670211257 (DE-600)2631798-9 22113797 nnns volume:34 year:2022 pages:105311- https://doi.org/10.1016/j.rinp.2022.105311 kostenfrei https://doaj.org/article/cfc90ab8c3b542eeb0e0db040ed7075e kostenfrei http://www.sciencedirect.com/science/article/pii/S2211379722000973 kostenfrei https://doaj.org/toc/2211-3797 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 34 2022 105311-
allfieldsSound	10.1016/j.rinp.2022.105311 doi (DE-627)DOAJ019571828 (DE-599)DOAJcfc90ab8c3b542eeb0e0db040ed7075e DE-627 ger DE-627 rakwb eng QC1-999 Yan He verfasserin aut Thermal properties of carbyne nanostructures 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level. Carbyne chain Carbyne ring Thermal properties Physics Huakai Xu verfasserin aut Gang Ouyang verfasserin aut Guowei Yang verfasserin aut In Results in Physics Elsevier, 2015 34(2022), Seite 105311- (DE-627)670211257 (DE-600)2631798-9 22113797 nnns volume:34 year:2022 pages:105311- https://doi.org/10.1016/j.rinp.2022.105311 kostenfrei https://doaj.org/article/cfc90ab8c3b542eeb0e0db040ed7075e kostenfrei http://www.sciencedirect.com/science/article/pii/S2211379722000973 kostenfrei https://doaj.org/toc/2211-3797 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2088 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4393 GBV_ILN_4700 AR 34 2022 105311-
language	English
source	In Results in Physics 34(2022), Seite 105311- volume:34 year:2022 pages:105311-
sourceStr	In Results in Physics 34(2022), Seite 105311- volume:34 year:2022 pages:105311-
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Carbyne chain Carbyne ring Thermal properties Physics
isfreeaccess_bool	true
container_title	Results in Physics
authorswithroles_txt_mv	Yan He @@aut@@ Huakai Xu @@aut@@ Gang Ouyang @@aut@@ Guowei Yang @@aut@@
publishDateDaySort_date	2022-01-01T00:00:00Z
hierarchy_top_id	670211257
id	DOAJ019571828
language_de	englisch
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callnumber-first	Q - Science
author	Yan He
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topic_title	QC1-999 Thermal properties of carbyne nanostructures Carbyne chain Carbyne ring Thermal properties
topic	misc QC1-999 misc Carbyne chain misc Carbyne ring misc Thermal properties misc Physics
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title	Thermal properties of carbyne nanostructures
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title_full	Thermal properties of carbyne nanostructures
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title_sort	thermal properties of carbyne nanostructures
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title_auth	Thermal properties of carbyne nanostructures
abstract	Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level.
abstractGer	Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level.
abstract_unstemmed	Carbyne nanostructures, including carbyne chain and carbyne ring, have been triggered substantial research due to their exotic mechanical and outstanding electronic properties. In order to clarify the bond nature of carbyne nanostructures under thermal environment, the thermal properties of single and triple bonds modulated by length and curvature effects are investigated based on the density functional theory (DFT) and atomic-bond-relaxation (ABR) correlation mechanism. We find that the discrepancies of elastic and thermal properties between single and triple bonds are determined by the difference of thermal expansion coefficients (TECs). Moreover, the length and curvature effects play a significant role on the TECs of carbyne nanostructures. Our results are consistent with the numerical simulations, illustrating the underlying mechanism on the thermal properties of carbyne nanostructures at the atomic-level.
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title_short	Thermal properties of carbyne nanostructures
url	https://doi.org/10.1016/j.rinp.2022.105311 https://doaj.org/article/cfc90ab8c3b542eeb0e0db040ed7075e http://www.sciencedirect.com/science/article/pii/S2211379722000973 https://doaj.org/toc/2211-3797
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