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DOE OSTI2022

Automated bubble analysis of high-speed subcooled flow boiling images using U-net transfer learning and global optical flow

Capturing and analyzing the bubble dynamics is crucial to improving the understanding of boiling heat transfer mechanisms and predicting boiling heat transfer coefficient and boiling crisis. High speed video (HSV) imaging has been used for decades towards this end. Still, there is no universal approach to quantitatively analyze bubble dynamics from HSV images. In this study, we propose a data-driven post-processing approach to segment, track, and identify wall-attached vapor bubbles from HSV images of the boiling process in subcooled flow conditions. Firstly, we employ a transfer learning framework with a U-Net-based convolution neural network (CNN) architecture to detect and segment bubbles in HSV images of diverse contrast and surface texture using very little data (e.g., 10 images) for training. Then, we evaluate the trained CNN model with 100 ground-truth images, and the validation results show that the model accuracy and precision in detecting the optical footprint of bubbles are higher than 90%. Finally, we suggest a criterion to identify a condensing bubble based on the divergence of the bubble displacement, which is calculated from sequential segmented bubble images using a global optical flow code. Using this combination of machine learning and optical flow, we can identify nucleation sites and track the growth of bubbles nucleating at each site to quantify nucleation site density, nucleation frequency, and other fundamental boiling parameters. The proposed system is validated using results obtained on a special heater, which enables both infrared (IR) thermometry and HSV imaging on a metallic surface. We compare the fundamental boiling parameters obtained by the two different diagnostics. The results show good agreement. In conclusion, the difference between the measurements of nucleation site density, averaged nucleation frequency, and averaged growth time performed with the two techniques is always within ± 20% and mostly ± 10% of the values measured with IR thermometry.

42 ENGINEERING↗

DOE OSTI2025

Isolated vesicles in submarine pumice: insights from the 2019 Volcano F eruption, Kingdom of Tonga

No reliable method can distinguish between subaerial and submarine pumice, but recent work shows that highly vesicular (total porosity, φ > 65%) submarine pumice from the 2012 Havre and 2021 Fukutoku Oka-no-Ba eruptions contains abundant isolated porosity (connectivity, C < 0.6). This differs from textural measurements of subaerial pumice with similarly high vesicularities, where high connectivities (C > 0.8) are often measured. To investigate the implications of this under-studied texture for bubble nucleation, growth, and coalescence dynamics at submarine eruptions, we analyze the textural characteristics of rafted pumice clasts from the 2019 submarine eruption of Volcano F, located along the Tonga-Kermadec Arc. We examined clasts collected while floating near the vent (50–200 km) and distally on the shores of Fiji (900 km). Using helium pycnometry and X-ray tomography (XRT), we quantified porosity and connectivity in 45 pumice lapilli, classifying them by vesicle macrotexture and edge morphology. Microvesicular clasts, the majority of which have breadcrust and cauliflower textures, exhibit the lowest connectivities (C = 0.61 ± 0.2), while macrovesicular clasts have high connectivities with C ~ 1. We propose that isolated porosity abundance varies according to clast location in the eruption column post-fragmentation. Microvesicular clasts erupted on the edges of the column and experienced high levels of seawater ingestion and subsequent quenching of the entire clast. Macrovesicular clasts, in contrast, erupted in the center of the eruption column and were thus thermally insulated, allowing magmatic bubbles in the molten pumice to nucleate, grow, and coalesce for longer. Our results and interpretation imply that low connectivity, microvesicular clasts preserve pre and syn-eruptive bubble processes at the 2019 Volcano F eruption.

Permeability↗

DOE OSTI2026

Predicting critical heat flux using localized sensing at invisible vapor-liquid interfaces

Predicting critical heat flux (CHF) in two-phase electronics cooling systems remains a significant challenge due to the sudden onset of boiling crisis and the difficulty in directly visualizing vapor-liquid interfaces. Existing sensing methods rely on lagging temperature measurements, optically accessible systems, or spatially averaged signals that cannot pinpoint CHF initiation at localized high-heat-flux regions. Here, we report a planar capacitive sensing approach that enables real-time, localized detection of vapor-liquid interface dynamics for CHF prediction in boiling heat transfer. The capacitive sensor exploits the dielectric constant difference between liquid and vapor phases to capture bubble nucleation, growth, and departure dynamics with a temporal resolution down to 2 ms. The capacitive sensing reveals distinct signals across boiling regimes: from high-frequency fluctuations during strong nucleate boiling to low-frequency fluctuations with increased amplitudes when approaching CHF. The multi-sensor array experiments demonstrate real-time localized sensing, where each sensor responds exclusively to boiling in its immediate vicinity without crosstalk from neighboring regions. This non-intrusive sensing approach provides predictive rather than lagging sensing signals of CHF occurrence, offering predictive diagnosis of two-phase liquid cooling for the thermal management of high-power-density electronics.

CHF↗

DOE OSTI2025

Interpreting experimental measurements of helium bubbles using stochastic cluster dynamics models of heterogeneous nucleation and growth in irradiated ferritic alloys

Among a number of other advantageous features, ferritic/martensitic steels are being considered as fusion reactor structural materials due to their low intrinsic swelling under irradiation. However, under high-energy neutron irradiation, He produced through (n, α) reactions stabilizes vacancy clusters, which then act as seeds for bubble formation and growth, negating the intrinsic swelling resistance of these alloys. Standard models of irradiation damage accumulation and microstructural evolution consider homogeneous nucleation as the basis for bubble formation and growth. However, this generally does not explain the large bubble densities and sizes observed experimentally under a number of different conditions. Here, we propose a more realistic physical model of bubble nucleation, formation, and growth designed to capture recent experimental measurements of He-bubble formation and evolution during co-implantation of He and Fe ions in model ferritic alloys. We find that experimental results are explained only when the following three features are considered simultaneously: (i) heterogeneous nucleation of He-vacancy bubbles at defect sinks (e.g., dislocations, grain boundaries, and second-phase precipitates), (ii) nucleation and growth of bubbles via the ‘trap mutation’ mechanism (i.e., spontaneous production of Frenkel pairs due to absorption of He atoms), and (iii) transition from a growth-limited, He-stabilized bubble regime to a ‘runaway’ void-type growth scenario. The model is implemented into a stochastic cluster dynamics framework that takes advantage of cluster size grouping methods to accelerate the simulations, allowing us to reach 10 dpa of simulated irradiated dose, and to capture cluster sizes in excess of 20 nm. Further, a careful extrapolation exercise conducted assuming classical nucleation theory leads to excellent agreement with the experimental measurements at 50 dpa of irradiation.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

He bubble-induced phase transformation of W grain boundaries revealed by accelerated molecular dynamics

The growth of He bubbles and the resulting impact on the microstructural evolution of W are of paramount importance to the plasma-facing materials community due to the application of W in Tokamak fusion reactors. Using accelerated molecular dynamics (AMD) techniques, we outline the structural evolution of grain boundaries (GBs) caused by growing He bubbles. It is discovered that when an alternative, low energy, high density GB structure or phase is available, He bubbles can induce a progressive phase transformation of the GB to the higher density phase by the continual nucleation of W Frenkel pairs. Here, we find that the resulting W self-interstitials migrate to sites at the GB which are structurally related to the higher density phase, leading to the transformation. We discuss the implications of this progressive microstructural evolution on the growing He bubble and consider in general how He bubbles will impact the structural evolution of an arbitrary W GB. These findings of GB phase transformation are predicted to impact other damage events in W such as recrystallization, GB migration and defect segregation which must take these findings into account in order to accurately simulate a realistic W microstructure and hence extract experimentally meaningful data.

36 MATERIALS SCIENCE↗

DOE OSTI2021

The mobility of small, over-pressurized helium bubbles in tungsten at 2000 K

Fusion reactor environments inevitably lead to the formation of high-pressure helium bubbles whose nucleation, growth, and diffusion strongly impact the performance of plasma-facing components. Here this research describes a diffusion mechanism of over-pressurized bubbles via a sequence of Frenkel pair nucleation, self-interstitial migration, and Frenkel pair annihilation. Molecular dynamics was used to simulate the diffusion of small bubbles in tungsten at 2000 K with helium-per-vacancy ratios in the range of 4.5 to 7. The diffusion coefficients are calculated and their dependence on helium content, number of vacancies, and number of attached self-interstitials is characterized. It is found that bubbles are most mobile when the nucleation/annihilation rates of Frenkel pairs are nearly equal and when the bubbles nucleate and annihilate a single self-interstitial. All bubbles experience a peak diffusivity, which can be as high as 10 -11 m 2 /s decreasing with bubble size. The calculated diffusion coefficients provide valuable insight into the mobility of small, high-pressure bubbles, and can be used as input parameters in mesoscale models to improve predictions of plasma-surface interactions. (LA-UR-21-21881)

36 MATERIALS SCIENCE↗

DOE OSTI2025

Radiation damage effects in beryllium for next generation neutrino beam targetry (Final Technical Report)

Current and future high-power accelerators put severe requirements on materials used for target and beam windows and target facilities have been recognized as a critical challenge in development of future particle accelerators. In accelerators, window and target materials are exposed to extreme conditions, which include bombardment with very high energy protons (1- 100 GeV) and thermomechanical shock waves. Radiation can cause direct damage in the material, and it leads to production of transmutation products (especially helium), both phenomena having a potential adverse effect on the stability and durability of the target/window material. At high enough temperatures, He can aggregate to form gas bubbles, which in turn cause significant dimensional changes (swelling), enable easy crack propagation, and eventually cause failure by fracture. On the other hand, if the temperature is too low, radiation damage accumulates in the form of internal defects (e.g., dislocations), leading to hardening and a decreased ductility of the material. In this project, we will focus on beryllium since it is considered to be one of the candidate materials for beam windows and targets in the next-generation proton accelerators, e.g., the Long Baseline Neutrino Facility (LBNF). Radiation effects in Be have been studied in the context of nuclear fusion reactor applications. However, key differences exist between reactor and accelerator conditions, including neutron vs. proton irradiation, continuous vs. pulsed beam flux, much higher energies of bombarding particles in accelerators, and higher operating temperatures for typical reactors. For example, the impact of beam pulsing on the radiation damage and the He bubble kinetics is largely unknown. While results obtained on Be from fusion research might not be directly transferrable to understanding target materials, there is an opportunity to bring state-of-the-art tools from materials research in nuclear reactors to aid design of target and beam window materials in high-power accelerators. To this end, the overarching goal of this project are to develop an experimentally-validated computational framework capable of predicting radiation damage evolution in beryllium relevant to beam window and target conditions, focusing on He bubble formation and growth as a function of irradiation temperature. Our model will be based on the cluster dynamics formalism, where size distribution of defects and He bubbles is simulated as a function of time, temperature, and radiation dose. Parameters for the model will be taken from published experiments and from high-fidelity atomistic simulations proposed in this project. In addition, we will carry out a series of targeted ex-situ and in-situ dual-beam experiments using low-energy protons to provide critical data for validation of the model on the effects of radiation on He clustering, He bubble distribution, and dislocation loop density/size in proton irradiated Be.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Calibration of the Diffusivity Predictions of Centipede Using Approximate Bayesian Computation and Applications in Nyx (Engineering Scale) and Xolotl-MARMOT (Meso-Scale) Simulations

Fission gas evolution and release in UO 2 nuclear fuel are important fuel performance metrics and occur in several distinct stages: 1) nucleation, growth and resolution of intra-granular bubbles, 2) diffusion to grain boundaries and 3) nucleation and growth of bubbles at grain boundaries, which eventually form a connected network (percolation) enabling release of gas from grain boundaries through connections to triple junctions, grain edges or free surfaces. The NE-SciDAC project is developing several computational tools to model this problem, which are connected in a hierarchical multi-scale framework. The information transfer in the multi-scale framework is a critical step that, in addition to best-estimates, should include uncertainty quantification. Despite taking a first-principles multi-scale approach, there is a need to perform parameter calibration to ensure consistency with available experimental data. In the present study, uncertainty quantification (UQ) and parameter calibration is demonstrated for one of the lower length scale codes in the multi-scale framework (Centipede) and then the results, including instances of the propagated uncertainties, are used in other codes within the framework, specifically Nyx and Xolotl-MARMOT. We calibrated the model parameters in Centipede, a computer code used to predict diffusivities of uranium (U) and xenon (Xe) in the context of the simulation of fission gas in uranium oxide (UO 2 ) nuclear fuel. The Centipede code depends on 183 parameters, all of which are subject to uncertainty. The three data sets used in our calibration effort are taken from the literature. This data is available as a set of measurements, including measurement errors. Our goal is to calibrate a statistical model that predicts both the value of the measurement and the uncertainty associated with the measurement. We perform a Bayesian calibration of the model parameters using a dedicated approximate Bayesian computation (ABC) likelihood function. To avoid excessive computational costs, we replace the expensive Centipede simulation code by a higher-order surrogate model, constructed using only the 9 most important parameters. These important parameters are identified by a preliminary global sensitivity analysis (GSA) study. Among the important parameters are T0 (the temperature at which UO 2 is perfectly stoichiometric) and Hf_pO2 (the temperature dependence of the oxygen (O) partial pressure) that should be considered as operating conditions to be estimated along with the other parameters. We consider two different cases: one where we define one set of these operating conditions for all data sets, and one where we define distinct operating condition parameters for each data set. The Xe diffusivities predicted by the latter case show distinct features that could not be observed in the former. Next, we use the diffusivity predictions by Centipede as input to Nyx, a reduced order fuel performance code focused on gas behavior alone, in order to estimate quantities associated with inter-granular bubble formation at conditions specified by the experiments. Finally, the diffusivities obtained from the calibrated Centipede runs were used in coupled Xolotl-MARMOT simulations of intra- and inter-granular gas evolution. The results are compared to simulations using the baseline diffusivities from Turnbull et al.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Deciphering the influence of high-flux helium plasma exposure on tungsten nanostructure growth using real-time, in situ spectroscopic ellipsometry

In situ analysis of surfaces during high-flux plasma exposure represents a long-standing challenge in the study of plasma–material interactions. While post-mortem microscopy can provide a detailed picture of structural and compositional changes, in situ techniques can capture the dynamic evolution of the surface. In this study, we demonstrate how spectroscopic ellipsometry can be applied to the real-time characterization of W nanostructure (also known as “fuzz”) growth during exposure to low temperature, high-flux He plasmas. Strikingly, over a wide range of sample temperatures and helium fluences, the measured ellipsometric parameters (Ψ,Δ) collapse onto a single curve that can be directly correlated with surface morphologies characterized by ex situ helium ion microscopy. The initial variation in the (Ψ,Δ) parameters appears to be governed by small changes in surface roughness (<50 nm) produced by helium bubble nucleation and growth, followed by the emergence of 50 nm diameter W tendrils. This basic behavior appears to be reproducible over a wide parameter space, indicating that the spectroscopic ellipsometry may be of general practical use as a diagnostic to study surface morphologies produced by high-flux He implantation in refractory metals. An advantage of the methods outlined here is that they are applicable at low incident ion energies, even below the sputtering threshold. As an example of this application, we apply in situ ellipsometry to examine how W fuzz growth is affected both by varying ion energy and the temperature of the surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Generalized rate theory for void and bubble swelling and its application to δ -plutonium

A rate theory for void and bubble swelling is derived that allows both vacancies and self-interstitial atoms to be generated by thermal activation at all sinks. In addition, they can also be produced by displacement damage from external and internal radiation. This generalized rate theory (GRT) is applied to swelling of gallium-stabilized δ-plutonium in which α-decay causes the displacement damage. Since the helium atoms produced also become trapped in vacancies, a distinction is made between empty and occupied vacancies. The growth of helium bubbles observed by transmission electron microscopy in weapons-grade and in material enriched with Pu238 is analyzed, using different values for the formation energy of self-interstitial atoms (SIA) and two different sets of relaxation volumes for the vacancy and for the SIA. One set allows preferential capture of SIA at dislocations, while the other set gives equal preference to both vacancy and SIA. It is found that the helium bubble diameters observed are in better agreement with GRT predictions if no preferential capture occurs at dislocations. Therefore, helium bubbles in δ-plutonium will not evolve into voids. Furthermore, the helium density within the bubbles remains sufficiently high to cause thermal emission of SIA. Based on a helium density between two to three helium atoms per vacant site, the sum of formation and migration energies must be around 2.0 eV for SIA in δ-plutonium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Onset of kinetic effects on Rayleigh–Taylor instability: Advective–diffusive asymmetry

In nature and engineering applications, the Rayleigh–Taylor instability (RTI) occurs over a wide range of Atwood, Reynolds, Mach, and Knudsen numbers. At low Atwood, Mach, and Knudsen numbers, the classic advective instability causes quasi-symmetric bubble and spike growth on the two sides of the interface. However, recent findings suggest that at high degrees of rarefaction, advective effects are suppressed and molecular diffusion leads to planar growth of the density fronts on either side of the interface. This study aims to investigate the flow physics of the transition from advective to diffusive behavior, focusing on the onset of the kinetic effects. Using the gas kinetic methodology, RTI is simulated over a range of Knudsen and Mach numbers in the transition regime. The simulation results reveal the various stages of transformation from advective instability to diffusive transport. For the first time, the study demonstrates the existence of a Knudsen–Mach parameter regime where the bubble side exhibits advective instability, while the other side shows a planar density front due to molecular diffusion, rather than the canonical advective spike shape. The dominance of different mechanisms on the two sides of the interface leads to the advective–diffusive asymmetry. In conclusion, the findings of this study can lead to a more comprehensive understanding of RTI over a wide range of Mach and Knudsen numbers.

42 ENGINEERING↗

DOE OSTI2022

Effect of PVD-coated chromium on the subcooled flow boiling performance of nuclear reactor cladding materials

Here we elucidate the separate effect of a thin Cr coating deposited by physical vapor deposition (PVD) on the subcooled flow boiling performance of zircaloy-4. First, we run flow boiling experiments on prototypical zircaloy-4 surfaces mimicking the scratch pattern and surface roughness of nuclear reactor claddings. Then, we PVD-coat a 0.3 µm thick chromium layer on the same exact surface and repeat the same flow boiling investigations. All experiments are run using deionized water at atmospheric pressure, flowing on a 1 × 3 cm 2 rectangular cross section channel at a rate of 1000 kg/m 2 /s and a subcooling of 10 K. We measure the average temperature of the boiling surface at increasing surface heat fluxes, covering a wide range of heat transfer regimes, from single-phase forced convection to the boiling crisis. We also record high-speed videos of the boiling process, which we postprocess to measure bubble nucleation site density, growth time, departure diameter and frequency. The surface analysis reveals that, while the chromium coating does not seem change the surface roughness and morphology, it improves surface wettability. However, it decreases the critical heat flux. The chromium coating causes an increase of nucleation temperature, bubble departure diameter and growth time, and a reduction of the nucleation site density. The concurrence of these observations indicates that a size reduction of the nucleation sites, conformally covered by the chromium coating, may be the cause of the boiling performance deterioration. We confirm this hypothesis repeating the same analysis on a FeCrAl sample prepared and tested using the same protocol as the zircaloy-4 sample, but with a different initial surface texture.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Molecular Dynamics Simulations of Helium Bubble Formation in Palladium Tritides [Slides]

Pd readily absorbs hydrogen and its isotopes, and can be used to purify gas mixtures involving tritium. Tritium decays to He, forming He bubbles. Bubbles causes possible PCT effects swelling, He release, all leading to failures. Radioactive decay experiments take many years. Molecular dynamics (MD) studies can be quickly done. No previous MD methods can simulate He bubble nucleation and growth.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Molecular Dynamics Simulations of Helium Bubble Formation in Palladium Tritides [Slides]

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Phase-field modeling for restructuring in the dark zone of high burnup UO 2

This report summarizes the mesoscale modeling work performed in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstructural evolution and restructuring observed in the dark regions of high burnup UO 2 nuclear fuel. This is the first attempt to realistically simulate the restructuring behavior observed in different region of a high burnup fuel. We employ a grand-potential based phase-field model to concurrently evaluate the formation of subgrains and growth of fission bubbles within the fuel. A energy-based subgrain formation criteria is introduced to simulate the restructuring process. Effect of different initial conditions and different modeling parameters are studies systematically to capture how each of these parameters influence the characteristics of the restructured fuel. It is observed that the subgrain formation begins around existing fission gas bubbles and then proceeds towards triple junctions, grain boundaries and grain interiors. It is demonstrated that restructuring is influenced by a combination of initial dislocation densities, subgrain formation rate, and temperature. Rate of restructuring increases with increase in fuel temperature. A restructuring bias is observed within the microstructure due to variation in defect accumulation among different grains. Furthermore, bubble sizes and distribution does not have a significant effect on rate of restructuring. The predicted microstructures resembles the characteristics of the restructured regions as observed in experiments. Finally, a correlation is presented that demonstrates the evolution of the restructuring volume fraction as a function of local effective burnup. This work provides a first of its kind restructuring model for darkzone that can be used by BISON for performance prediction of high burnup UO 2 fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Parameterization of vacancy production rate in phase-field models of fission gas bubble evolution in nuclear fuel

Phase-field modeling has increasingly been used to study microstructural evolution in fission gas bubbles in nuclear fuel to improve understanding of fission gas release. To improve computational efficiency, often only vacancies and gas atoms are included as defect species. In this case, the net effects of vacancy and interstitial production, recombination, and biased sink absorption are included as a net vacancy source, or net vacancy source combined with an effective sink. However, there has been a lack of clarity on what parameter values should be used for these approaches to best match the more complete physical picture that includes interstitials and vacancies. Here, we compare a phase-field model of void growth to analytical models for the source-only and source plus sink approach to gain insight into how the phase-field models can be parameterized effectively. The source-only approach provides greater flexibility to match growth rates determined from the full vacancy-interstitial picture. A strategy was developed for determining the value of the net vacancy source term by comparing to an analytical model that includes vacancy and interstitial production, recombination, and biased sink absorption. Finally, this strategy can be used to parameterize phase-field models of fission gas bubble growth.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Comparative study of helium bubbles in a Ti-Ta alloy and a Ti/Ta nanocomposite

Here, we investigated the size, density, and distribution of helium (He) bubbles in a Ti-Ta single-phase alloy and a Ti/Ta dual-phase nanocomposite using transmission electron microscopy. The Ti/Ta nanocomposite was fabricated via phase separation during high-temperature annealing of the single-phase Ti-Ta alloy. He ion implantation in the Ti-Ta single-phase alloy leads to the formation of nano-scale He bubbles (~1.7 nm in size, ~2.6×10 5 /μm 3 in volumetric density). He bubbles were found to segregate to grain boundaries. Under identical implantation conditions, numerous He bubbles also formed in the Ti/Ta nanocomposite. Closer inspection revealed that He bubbles in the Ti-rich phase are smaller and of higher volumetric density (~1.2 nm, ~8.4×10 5 /μm 3 ) than those in the Tarich phase (~3 nm, ~1.8×10 5 /μm 3 ) and the single-phase alloy. He bubbles were also observed to decorate phase boundaries, but they were generally smaller than those on grain boundaries. These results suggest that Ti/Ta phase boundaries are less conducive to the growth of large He bubbles than grain boundaries in the Ti-Ta single phase alloy.

36 MATERIALS SCIENCE↗