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An atomistic modelling of the porosity impact on UO2 matrix macroscopic properties

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Title: An atomistic modelling of the porosity impact on UO2 matrix macroscopic properties
Authors: Jelea, A.1,2,3 andrei.jelea@irsn.fr, Colbert, M.1,2, Ribeiro, F.1, Tréglia, G.2, Pellenq, R.J.-M.2,4
Source: Journal of Nuclear Materials. Aug2011, Vol. 415 Issue 2, p210-216. 7p.
Subjects: Porosity, Uranium oxides, Thermomechanical properties of metals, Simulation methods & models, Temperature effect, Mathematical models, Empirical research, Porous materials
Abstract: Abstract: The porosity impact on the UO2 matrix thermomechanical properties was investigated using atomistic simulation techniques. The porosity modifies the thermal expansion coefficient and this is attributed to pore surface effects. The elastic moduli at 0K and at finite temperature decrease with porosity, this variation being well approximated using affine functions. These results agree with other mesoscale model predictions and experimental data, showing the ability of the semiempirical potential atomistic simulations to give an overall good description of the porous UO2. However, the surface effects are incompletely described. [Copyright &y& Elsevier]
Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 63190176
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: An atomistic modelling of the porosity impact on UO<subscript>2</subscript> matrix macroscopic properties
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Nuclear+Materials%22">Journal of Nuclear Materials</searchLink>. Aug2011, Vol. 415 Issue 2, p210-216. 7p.
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  Data: <searchLink fieldCode="DE" term="%22Porosity%22">Porosity</searchLink><br /><searchLink fieldCode="DE" term="%22Uranium+oxides%22">Uranium oxides</searchLink><br /><searchLink fieldCode="DE" term="%22Thermomechanical+properties+of+metals%22">Thermomechanical properties of metals</searchLink><br /><searchLink fieldCode="DE" term="%22Simulation+methods+%26+models%22">Simulation methods & models</searchLink><br /><searchLink fieldCode="DE" term="%22Temperature+effect%22">Temperature effect</searchLink><br /><searchLink fieldCode="DE" term="%22Mathematical+models%22">Mathematical models</searchLink><br /><searchLink fieldCode="DE" term="%22Empirical+research%22">Empirical research</searchLink><br /><searchLink fieldCode="DE" term="%22Porous+materials%22">Porous materials</searchLink>
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  Data: Abstract: The porosity impact on the UO2 matrix thermomechanical properties was investigated using atomistic simulation techniques. The porosity modifies the thermal expansion coefficient and this is attributed to pore surface effects. The elastic moduli at 0K and at finite temperature decrease with porosity, this variation being well approximated using affine functions. These results agree with other mesoscale model predictions and experimental data, showing the ability of the semiempirical potential atomistic simulations to give an overall good description of the porous UO2. However, the surface effects are incompletely described. [Copyright &y& Elsevier]
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  Data: <i>Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.jnucmat.2011.06.006
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      – Code: eng
        Text: English
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        PageCount: 7
        StartPage: 210
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      – SubjectFull: Porosity
        Type: general
      – SubjectFull: Uranium oxides
        Type: general
      – SubjectFull: Thermomechanical properties of metals
        Type: general
      – SubjectFull: Simulation methods & models
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      – SubjectFull: Temperature effect
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      – SubjectFull: Mathematical models
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      – SubjectFull: Empirical research
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      – SubjectFull: Porous materials
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              Text: Aug2011
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