An extrapolated equation of state for xenon for use in fuel swelling calculations

Harrison, J.W.

doi:10.1016/0022-3115(69)90047-6

Cited by 18 publications

(8 citation statements)

References 13 publications

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“…Almost all the interstitials remain isolated and vacancies tend to cluster into polyhedral voids [38]. The equation of state of Xe gas phase also has been examined by experiments [39][40][41] and atomistic simulations [42]. During the past decade, the phase-field approach has been applied to study microstructure evolutions in irradiated materials such as gas bubble evolution in UO 2 nuclear fuels [43,44], interstitial loop growth kinetics [45], and radiation-induced segregation and precipitation [46,47].…”

Section: Gas Bubble Structures Have Been Examined In Post-irradiationmentioning

confidence: 99%

See 1 more Smart Citation

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

Hu¹,

Burkes²,

Lavender³

et al. 2016

Journal of Nuclear Materials

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Nano-gas bubble superlattices are often observed in irradiated UMo nuclear fuels. However, the formation mechanism of gas bubble superlattices is not well understood. A number of physical processes may affect the gas bubble nucleation and growth; hence, the morphology of gas bubble microstructures including size and spatial distributions. In this work, a phase-field model integrating a first-passage Monte Carlo method to investigate the formation mechanism of gas bubble superlattices was developed. Six physical processes are taken into account in the model: 1) heterogeneous generation of gas atoms, vacancies, and interstitials informed from atomistic simulations; 2) one-dimensional (1-D) migration of interstitials; 3) irradiation-induced dissolution of gas atoms; 4) recombination between vacancies and interstitials; 5) elastic interaction; and 6) heterogeneous nucleation of gas bubbles. We found that the elastic interaction doesn't cause the gas bubble alignment, and fast 1-D migration of interstitials along <110> directions in the body-centered cubic U matrix causes the gas bubble alignment along <110> directions. It implies that 1-D interstitial migration along [110] direction should be the primary mechanism of an fcc gas bubble superlattice which is observed in bcc UMo alloys. Simulations also show that fission rates, saturated gas concentration, and elastic interaction all affect the morphology of gas bubble microstructures.

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Section: Gas Bubble Structures Have Been Examined In Post-irradiationmentioning

confidence: 99%

“…are constants determined by the thermodynamic properties of the system. The pressure-volume-temperature (P-V-T) relation of Xe has been studied from experiments [39,41] and MD simulations [42]. For Xe gas bubbles, the modified equation of state can be described as…”

Section: Thermodynamic and Kinetic Propertiesmentioning

confidence: 99%

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

Hu¹,

Burkes²,

Lavender³

et al. 2016

Journal of Nuclear Materials

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“…The properties of defectsin bcc U single crystals have been investigated via experiments [4,[11][12][13], density functional theory (DFT) [14][15][16][17][18], and molecular dynamics (MD) method [1,16,19,20].The results show that 1) Xe is stableas a substitutional defect, and Xe migrates through vacancy-assisted mechanisms, presumably as a complex consisting of one Xe and two vacancies (XeV 2 complex), 2) the dumbbell configurations of U interstitials along the [100] or [110] direction are energetically favored, and 3) the migration barrier of U interstitials is about 0.1 eV, which is much smaller than that of vacancies (0.5eV).The defect generation and spatial distribution during cascades in bcc U were simulated using MD methods [21,22].The results show that most of the surviving interstitials form a [100] or [110] dumbbell.Almost all the interstitials remain isolated, while vacancies tend to cluster into polyhedral voids [22].The equation of state (EOS) of the Xe gas phase has been examined by experiments [23][24][25] and atomistic simulations [26]. Very recently, Xiao et al simulated the pressure inside Xe bubbles with different Xe concentrations in bcc U10Mo alloys [27].…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels

Joshi

Lavender

2017

Journal of Nuclear Materials

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Xe gas bubble superlattice formation is observed in irradiated uranium-10 wt% molybdenum (U10Mo) fuels. However, the thermodynamic properties of the bubbles(the relationship among bubble size, equilibrium Xe concentration, and bubble pressure)and the mechanisms of bubble superlattice formation are not well known.In this work, the molecular dynamics (MD) method is used to study these properties and mechanisms. The results provide important inputs for quantitative mesoscale models of gas bubble evolution and fuel performance. In the MD simulations, the embedded-atom method (EAM) potential of U10Mo-Xe[1] is employed. Initial gas bubbles with a low Xeconcentration(underpressured) are generated in a body-centered cubic(bcc)U10Mo single crystal.Then Xeatoms aresequentiallyadded into the bubbles one by one, and the evolution of pressure and dislocation emission around the bubbles is analyzed. The relationship between pressure, equilibrium Xe concentration, and radiusofthe bubblesis established.It was found that an overpressuredgas bubble emits partial dislocations witha Burgers vector along the <111> direction and a slip plane of (11-2). Meanwhile, dislocation loop punchout was not observed.The overpressured bubble also induces an anisotropic stress field. A tensile stress was found along <110> directions around the bubble, favoring the nucleation and formation of aface-centered cubic bubble superlattice in bccU10Mo fuels.

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“…Although the Xe density was measured at room temperature under several GPa pressure [8], the experimental data at the nuclear fuel operating high temperatures are rare and also restricted to a low pressure range [9]. To fill the lack of experimental data for Xe, the equations of state for Xe were developed by extrapolating data of Ar or theoretical backgrounds [10][11][12][13].…”

Section: Equations Of State For Xementioning

confidence: 99%

“…Although B is a function of the pressure and temperature, it is usually taken as a constant [3]. Harrison [10] proposed an extrapolated equation of state for Xe from the existing argon equation of state for higher pressures and temperatures. Data were not fitted into the equation of state but summarized in a table form.…”

Section: Equations Of State For Xementioning

confidence: 99%

Molecular dynamics simulation of the pressure–volume–temperature data of xenon for a nuclear fuel

Koo

Cheon

et al. 2008

Journal of Nuclear Materials

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An extrapolated equation of state for xenon for use in fuel swelling calculations

Cited by 18 publications

References 13 publications

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

Atomistic simulations of thermodynamic properties of Xe gas bubbles in U10Mo fuels

Molecular dynamics simulation of the pressure–volume–temperature data of xenon for a nuclear fuel

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