Molecular dynamics evaluation of the impact of Ga, He, and vacancy concentration on the mechanical properties of Ga-stabilized δ-Pu

Dremov, V. V.; Karavaev, A. V.; Sapozhnikov, F.A.; Vorobyova, M.A.; Preston, Dean L.; Zocher, M. A.

doi:10.1016/j.jnucmat.2011.05.038

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钚镓合金的力学特性1

Vacancy In An 8 Atom Supercell1

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Cited by 18 publications

(2 citation statements)

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“…单晶-Pu这一显著的弹性各向异性, 直接导致了相钚镓合金的各向异性. [29] 在拟合部分参数的过程中直接使用了相钚镓合金的弹性模量 [29] , 因而在计算弹性常数时, 计算结果对应的镓钚镓合金的实验测试 [2,39] 和模拟计算 [38] 结果是一致的. Plutonium (Pu) is a very important nuclear material, acting as a key fissile component in nuclear weapons as well as in the uranium Pu mixed oxide fuel.…”

Section: 钚镓合金的力学特性unclassified

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium

Wu¹,

Liu²,

Wu³

2016

Chin. Sci. Bull.

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Section: 钚镓合金的力学特性unclassified

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium

Wu¹,

Liu²,

Wu³

2016

Chin. Sci. Bull.

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“…Just the vacan cies mostly survive and affect thermodynamic and mechanical properties of Pu [27,28].…”

Section: Vacancy In An 8 Atom Supercellmentioning

confidence: 99%

The influence of defects on magnetic properties of fcc-Pu

Шориков

Анисимов

Korotin

et al. 2013

J. Exp. Theor. Phys.

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Abstract-The influence of vacancies and interstitial atoms on magnetism in Pu is considered in the frame work of the density functional theory. The crystal structure relaxation arising due to various types of defects is calculated using the molecular dynamics method with a modified embedded atom model. The local density approximation with explicit inclusion of Coulomb and spin-orbit interactions is applied in matrix invariant form to describe correlation effects in Pu with these types of defects. The calculations show that both vacan cies and interstitials give rise to local moments in the f shell of Pu in good agreement with experimental data for aged Pu. Magnetism appears due to the destruction of a delicate balance between spin-orbit and exchange interactions.

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Equilibrium thermodynamics of helium inδ-phase Pu–Ga alloys

et al. 2014

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Molecular dynamics evaluation of the impact of Ga, He, and vacancy concentration on the mechanical properties of Ga-stabilized δ-Pu

Cited by 18 publications

References 18 publications

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium

The influence of defects on magnetic properties of fcc-Pu

Equilibrium thermodynamics of helium inδ-phase Pu–Ga alloys

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Molecular dynamics evaluation of the impact of Ga, He, and vacancy concentration on the mechanical properties of Ga-stabilized δ-Pu

Cited by 18 publications

References 18 publications

Phase stability and mechanical property of gallium-stabilized &lt;x content-type=&quot;symbol&quot;&gt;&delta;&lt;/x&gt;-plutonium

Phase stability and mechanical property of gallium-stabilized &lt;x content-type=&quot;symbol&quot;&gt;&delta;&lt;/x&gt;-plutonium

The influence of defects on magnetic properties of fcc-Pu

Equilibrium thermodynamics of helium inδ-phase Pu–Ga alloys

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Product

Resources

About

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium

Phase stability and mechanical property of gallium-stabilized <x content-type="symbol">δ</x>-plutonium