Ab-initio modeling of Al

Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excit...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Voronkov, R.A. [verfasserIn] Medvedev, N. [verfasserIn] Rymzhanov, R.A. [verfasserIn] Volkov, A.E. [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2018

Schlagwörter:	Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory

Übergeordnetes Werk:	Enthalten in: Nuclear instruments & methods in physics research / B - Amsterdam [u.a.] : Elsevier, 1984, 435, Seite 87-92
Übergeordnetes Werk:	volume:435 ; pages:87-92

DOI / URN:	10.1016/j.nimb.2018.03.038

Katalog-ID:	ELV001030191

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520			\|a Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible.
650		4	\|a Nonthermal melting
650		4	\|a Electronic temperature
650		4	\|a Al
650		4	\|a Laser spot
650		4	\|a Swift heavy ion track
650		4	\|a Density functional theory
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700	1		\|a Volkov, A.E. \|e verfasserin \|4 aut
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author_variant	r v rv n m nm r r rr a v av
matchkey_str	voronkovramedvedevnrymzhanovravolkovae:2018----:bntooei
hierarchy_sort_str	2018
bklnumber	33.05 33.40
publishDate	2018
allfields	10.1016/j.nimb.2018.03.038 doi (DE-627)ELV001030191 (ELSEVIER)S0168-583X(18)30231-3 DE-627 ger DE-627 rda eng 530 DE-600 33.05 bkl 33.40 bkl Voronkov, R.A. verfasserin aut Ab-initio modeling of Al 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible. Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory Medvedev, N. verfasserin aut Rymzhanov, R.A. verfasserin aut Volkov, A.E. verfasserin aut Enthalten in Nuclear instruments & methods in physics research / B Amsterdam [u.a.] : Elsevier, 1984 435, Seite 87-92 Online-Ressource (DE-627)266014585 (DE-600)1466524-4 (DE-576)074959735 nnns volume:435 pages:87-92 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 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_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 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_4393 33.05 Experimentalphysik 33.40 Kernphysik AR 435 87-92
spelling	10.1016/j.nimb.2018.03.038 doi (DE-627)ELV001030191 (ELSEVIER)S0168-583X(18)30231-3 DE-627 ger DE-627 rda eng 530 DE-600 33.05 bkl 33.40 bkl Voronkov, R.A. verfasserin aut Ab-initio modeling of Al 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible. Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory Medvedev, N. verfasserin aut Rymzhanov, R.A. verfasserin aut Volkov, A.E. verfasserin aut Enthalten in Nuclear instruments & methods in physics research / B Amsterdam [u.a.] : Elsevier, 1984 435, Seite 87-92 Online-Ressource (DE-627)266014585 (DE-600)1466524-4 (DE-576)074959735 nnns volume:435 pages:87-92 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 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_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 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_4393 33.05 Experimentalphysik 33.40 Kernphysik AR 435 87-92
allfields_unstemmed	10.1016/j.nimb.2018.03.038 doi (DE-627)ELV001030191 (ELSEVIER)S0168-583X(18)30231-3 DE-627 ger DE-627 rda eng 530 DE-600 33.05 bkl 33.40 bkl Voronkov, R.A. verfasserin aut Ab-initio modeling of Al 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible. Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory Medvedev, N. verfasserin aut Rymzhanov, R.A. verfasserin aut Volkov, A.E. verfasserin aut Enthalten in Nuclear instruments & methods in physics research / B Amsterdam [u.a.] : Elsevier, 1984 435, Seite 87-92 Online-Ressource (DE-627)266014585 (DE-600)1466524-4 (DE-576)074959735 nnns volume:435 pages:87-92 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 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_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 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_4393 33.05 Experimentalphysik 33.40 Kernphysik AR 435 87-92
allfieldsGer	10.1016/j.nimb.2018.03.038 doi (DE-627)ELV001030191 (ELSEVIER)S0168-583X(18)30231-3 DE-627 ger DE-627 rda eng 530 DE-600 33.05 bkl 33.40 bkl Voronkov, R.A. verfasserin aut Ab-initio modeling of Al 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible. Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory Medvedev, N. verfasserin aut Rymzhanov, R.A. verfasserin aut Volkov, A.E. verfasserin aut Enthalten in Nuclear instruments & methods in physics research / B Amsterdam [u.a.] : Elsevier, 1984 435, Seite 87-92 Online-Ressource (DE-627)266014585 (DE-600)1466524-4 (DE-576)074959735 nnns volume:435 pages:87-92 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 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_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 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_4393 33.05 Experimentalphysik 33.40 Kernphysik AR 435 87-92
allfieldsSound	10.1016/j.nimb.2018.03.038 doi (DE-627)ELV001030191 (ELSEVIER)S0168-583X(18)30231-3 DE-627 ger DE-627 rda eng 530 DE-600 33.05 bkl 33.40 bkl Voronkov, R.A. verfasserin aut Ab-initio modeling of Al 2018 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible. Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory Medvedev, N. verfasserin aut Rymzhanov, R.A. verfasserin aut Volkov, A.E. verfasserin aut Enthalten in Nuclear instruments & methods in physics research / B Amsterdam [u.a.] : Elsevier, 1984 435, Seite 87-92 Online-Ressource (DE-627)266014585 (DE-600)1466524-4 (DE-576)074959735 nnns volume:435 pages:87-92 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 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_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 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_4393 33.05 Experimentalphysik 33.40 Kernphysik AR 435 87-92
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author	Voronkov, R.A.
spellingShingle	Voronkov, R.A. ddc 530 bkl 33.05 bkl 33.40 misc Nonthermal melting misc Electronic temperature misc Al misc Laser spot misc Swift heavy ion track misc Density functional theory Ab-initio modeling of Al
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topic_title	530 DE-600 33.05 bkl 33.40 bkl Ab-initio modeling of Al Nonthermal melting Electronic temperature Al Laser spot Swift heavy ion track Density functional theory
topic	ddc 530 bkl 33.05 bkl 33.40 misc Nonthermal melting misc Electronic temperature misc Al misc Laser spot misc Swift heavy ion track misc Density functional theory
topic_unstemmed	ddc 530 bkl 33.05 bkl 33.40 misc Nonthermal melting misc Electronic temperature misc Al misc Laser spot misc Swift heavy ion track misc Density functional theory
topic_browse	ddc 530 bkl 33.05 bkl 33.40 misc Nonthermal melting misc Electronic temperature misc Al misc Laser spot misc Swift heavy ion track misc Density functional theory
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title	Ab-initio modeling of Al
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title_full	Ab-initio modeling of Al
author_sort	Voronkov, R.A.
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author_browse	Voronkov, R.A. Medvedev, N. Rymzhanov, R.A. Volkov, A.E.
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author-letter	Voronkov, R.A.
doi_str_mv	10.1016/j.nimb.2018.03.038
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title_sort	ab-initio modeling of al
title_auth	Ab-initio modeling of Al
abstract	Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible.
abstractGer	Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible.
abstract_unstemmed	Nonthermal phase transformations induced in Al2O3 by the electronic temperatures above ∼2.5 eV is demonstrated with ab initio molecular dynamics simulations. When this temperature exceeds ∼4 eV, such a transformation occurs within ∼500 fs i.e. within the typical time-scale of relaxation of the excited electronic system in a micron-size spot of a femtosecond-laser pulse. The electronic temperature at least above 6–10 eV is required for a nonthermal melting to occur in Al2O3 within ∼50–100 fs, which is the time scale of cooling down of the electronic system in a swift heavy ion track. Because such level of the electronic temperature cannot be kept during all this time, we conclude that nonthermal melting of alumina in SHI tracks is implausible.
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title_short	Ab-initio modeling of Al
remote_bool	true
author2	Medvedev, N. Rymzhanov, R.A. Volkov, A.E.
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doi_str	10.1016/j.nimb.2018.03.038
up_date	2024-07-06T19:59:24.900Z
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