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Thermophysical Properties of α-Pu2O3: A New Potential Model

dc.contributor.authorGunay, S. D.
dc.contributor.authorAkgenc, B.
dc.contributor.authorAkdere, U.
dc.contributor.authorTasseven, C.
dc.contributor.institutionauthorTAŞSEVEN, Çetin
dc.date.accessioned2026-06-27T13:30:16Z
dc.date.issued2013
dc.description.abstractalpha-Pu2O3 is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into alpha-Pu2O3 and PuO2 which are in the form of layers one on another [1]. Here we have investigated thermal properties of alpha-Pu2O3 by molecular dynamics simulation by using a partially ionic semi-empirical rigid ion potential. Mechanical properties, thermal expansion, and heat capacity are calculated. Results were compared with available experimental data and quantum calculation [2]. Due to the experimental limitations such as toxicity and radiation effects, studying the physical properties of such materials from molecular dynamics simulations have vital importance.en
dc.description.urihttps://doi.org/10.1063/1.4849260
dc.identifier.doi10.1063/1.4849260
dc.identifier.endpage211
dc.identifier.isbn978-0-7354-1197-5
dc.identifier.issn0094-243X
dc.identifier.startpage208
dc.identifier.urihttps://hdl.handle.net/20.500.14981/53301
dc.identifier.volume1569
dc.identifier.wos000331654900045
dc.language.isoeng
dc.publisherAMER INST PHYSICS
dc.relation.conference3rd International Congress on Advances in Applied Physics and Materials Science
dc.relation.ispartof3RD INTERNATIONAL ADVANCES IN APPLIED PHYSICS AND MATERIALS SCIENCE CONGRESS
dc.subjectalpha-Pt2O3
dc.subjectmolecular dynamics simulation
dc.subjectbeta-Pu2O3
dc.subjectlattice constant
dc.subjectelastic modulus
dc.subjectbulk modulus
dc.subjectcoordiantion number
dc.subjectMaterials Science
dc.subjectPhysics
dc.titleThermophysical Properties of α-Pu2O3: A New Potential Model
dc.typeProceedings Paper
dspace.entity.typePublication
local.import.sourceWOS

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