Journal article
Molecular dynamics simulation of the thermodynamic and transport properties of the molten salt fast reactor fuel LiF-ThE4
- Abstract:
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The local structure and transport properties of molten LiF-ThF4 at the eutectic composition have been studied at a range of temperatures, using molecular dynamics simulations that incorporate dipole polarization effects. This polarizable interaction potential was parameterized from first-principles calculations. We have calculated the density, self-diffusion coefficients, electrical conductivity, viscosity, and heat capacity at a range of temperatures from 850 K to 1273 K. We have also examin...
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- Publication status:
- Published
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Bibliographic Details
- Journal:
- JOURNAL OF NUCLEAR MATERIALS More from this journal
- Volume:
- 434
- Issue:
- 1-3
- Pages:
- 322-327
- Publication date:
- 2013-03-01
- DOI:
- ISSN:
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0022-3115
Item Description
- Language:
-
English
- Pubs id:
-
pubs:380001
- UUID:
-
uuid:aedeac9b-4b2f-4ec2-9504-8da1db1224b2
- Local pid:
-
pubs:380001
- Source identifiers:
-
380001
- Deposit date:
-
2013-11-16
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- Copyright date:
- 2013
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