Search NASA⌕ Search

SEARCH · Search NASA

Results for “GAS EVOLUTION”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Plateau de Bure High-z Blue Sequence Survey 2 (PHIBSS2): Search for Secondary Sources, CO Luminosity Functions in the Field, and the Evolution of Molecular Gas Density through Cosmic Time

We report on the results of a search for serendipitous sources in CO emission in 110 cubes targeting CO(2 − 1), CO(3 − 2), and CO(6 − 5) at z ∼ 1–2 from the second Plateau de Bure High-z Blue Sequence Survey (PHIBSS2). The PHIBSS2 observations were part of a 4 yr legacy program at the IRAM Plateau de Bure Interferometer aimed at studying early galaxy evolution from the perspective of molecular gas reservoirs. We present a catalog of 67 candidate secondary sources from this search, with 45 of the 110 data cubes showing sources in addition to the primary target that appear to be field detections, unrelated to the central sources. This catalog includes redshifts, line widths, and fluxes, as well as an estimation of their reliability based on their false-positive probability. We perform a search in the 3D Hubble Space Telescope/CANDELS catalogs for the secondary CO detections and tentatively find that ∼64% of these have optical counterparts, which we use to constrain their redshifts. Finally, we use our catalog of candidate CO detections to derive the CO(2 − 1), CO(3 − 2), CO(4 − 3), CO(5 − 4), and CO(6 − 5) luminosity functions over a range of redshifts, as well as the molecular gas mass density evolution. Despite the different methodology, these results are in very good agreement with previous observational constraints derived from blind searches in deep fields. They provide an example of the type of “deep-field” science that can be carried out with targeted observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Impact of grain boundary and surface diffusion on predicted fission gas bubble behavior and release in UO 2 fuel

In this work, we quantify the impact of grain boundary (GB) and surface diffusion on fission gas bubble evolution and fission gas release in UO 2 nuclear fuel using simulations with a hybrid phase field/cluster dynamics model. Here, we begin with a comprehensive literature review of uranium vacancy and xenon atom diffusivity in UO 2 through the bulk, along GBs, and along surfaces. In our model we represent fast GB and surface diffusion using a heterogeneous diffusivity that is a function of the order parameters that represent bubbles and grains. We find that the GB diffusivity directly impacts the rate of gas release via GB transport, and that the GB diffusivity is likely below 104 times the lower value from Olander and van Uffelen. We also find that the surface diffusivity impacts bubble coalescence and mobility, and that the bubble surface diffusivity is likely below 10 -4 times the value from Zhou and Olander.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Implications of point defect accumulation on UO 2 thermal conductivity and fission gas release under accelerated fuel irradiation

Evaluation of thermal properties is a crucial factor for nuclear fuel performance. During reactor operation, the accumulation of fission products and irradiation-induced lattice defects are responsible for degradation in thermal conductivity. Consequently, it affects fuel temperature and fission gas release (FGR) among other Multiphysics processes important for economics and safety analysis. We analyze the implications of point defects (PD) accumulation described using a rate theory (RT) Model on lattice thermal conductivity of UO 2 . Here, we demonstrate that fission rate-dependent point defect concentrations have the largest impact on in-pile thermal conductivity in the periphery of light water reactor fuels below a temperature threshold governed by the migration barrier of defects. Our analysis provides a mechanistic description of this phenomena which current fuel performance codes treat empirically. The reduction of thermal conductivity in the low -temperature rim region acts as additional thermal resistance and leads to a temperature notably larger than suggested by Lucuta thermal conductivity correlation. These effects are anticipated to have notable impacts when fuels are exposed to accelerated radiation. The impact of such point defect-informed treatment of thermal conductivity on fuel performance is evaluated by a detailed analysis of fission gas behavior and its release. We consider several models capturing different stages of fission gas bubble evolution and fission gas release (FGR). Finally, a new fission rate-dependent correction to the Lucuta correlation is proposed. The results show a significant reduction in thermal conductivity at the fuels’ periphery and an increase in fuel centerline temperature specifically at low burnups. Ultimately a modified LC shows a higher FGR compared to the original LC, while the acceleration process results in a reduction in overall FGR.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Measuring the evolution of intergalactic gas from z = 0 to 5 using the kinematic Sunyaev–Zel’dovich effect

ABSTRACT A complete census of baryons in the late Universe is a long-standing challenge due to the intermediate temperate and rarefied character of the majority of cosmic gas. To gain insight into this problem, we extract measurements of the kinematic Sunyaev–Zel’dovich (kSZ) effect from the cross-correlation of angular redshift fluctuations maps, which contain precise information about the cosmic density and velocity fields, and cosmic microwave background maps high-pass filtered using aperture photometry; we refer to this technique as angular redshift fluctuations (ARF)–kSZ tomography. Remarkably, we detect significant cross-correlation for a wide range of redshifts and filter apertures using 6dF galaxies, BOSS galaxies, and SDSS quasars as tracers, yielding a 11σ detection of the kSZ effect. We then leverage these measurements to set constraints on the location, density, and abundance of gas inducing the kSZ effect, finding that this gas resides outside dark matter haloes, presents densities ranging from 10 to 250 times the cosmic average, and comprises half of cosmic baryons. Taken together, these findings indicate that ARF–kSZ tomography provides a nearly complete census of intergalactic gas from z = 0 to 5.

Chaves-Montero, Jonás↗
DOE OSTI2025

Irradiation-induced gas production in REBCO-based magnet materials used for future compact fusion reactors

Nuclear fusion is an enticing alternative to current sources of energy, with multilayered Rare-Earth Barium Copper Oxide (REBCO) coated conductors deemed pivotal in the race toward fully realized, commercially viable, and magnetic confinement fusion reactors. In this study, we simulated the ion spectrum expected to evolve from REBCO's nickel-based Hastelloy C-276 substrate and copper stabilizer in an affordable robust compact-like reactor. We then emulated this gas production through helium implantation to investigate changes in materials and superconducting properties. Our results revealed that the substrate and stabilizer are capable of producing protons energetic enough to recoil throughout the tape thickness in appreciable doses, and alphas energetic enough to deposit 7.54 × 1014 ions/cm2 or 50.1 helium appm in the superconducting layer over a 30-year reactor lifetime. The superconducting layer of SuperPower® tapes exhibited at least double the swelling rate of the other major layers, and both SuperPower and Fujikura Ltd. tapes displayed microstructural changes in the REBCO layer not observed in isotropic metals. For the estimated lifetime fluence, the Fujikura tapes showed a ∼1 K reduction in critical temperature and a 32% degradation in critical current for compact reactor-relevant conditions (16 T, 20 K). Nuclear transmutation, low-temperature solder implantations, gas-ion evolution, the influence of gas production on vortex dynamics, and other related considerations are also discussed.

Reis, Chris↗
DOE OSTI2020

Growth of Jupiter: Formation in disks of gas and solids and evolution to the present epoch

The formation of Jupiter is modeled via core-nucleated accretion, and the planet's evolution is simulated up to the present epoch. Throughout the phases when the planet acquires most of its heavy-element content, the calculation of solids' accretion accounts for interactions with an evolving disk of planetesimals. The phase of growth from an embryo of a few hundred kilometers in radius until the time when the accretion of gas overtakes solids' accretion was presented by D'Angelo et al., and the same numerical methods are applied here. Those calculations followed the formation for about 4 × 10 5 years, until the epoch when the heavy-element and hydrogen/helium masses were $M_Z ≈ 7.3$ and $M_{XY} ≈ 0.15$ Earth's masses ($M_⊕$), respectively, and $\dot {M} _{XY} ≈ $$\dot {M}_Z$. In this work, the calculation is continued through the phase when $M_{XY}$ grows to equal $M_Z$ , at which age, about 2.4 × 10 6 years, the total mass of the planet is $M_p ≈ 20 M_⊕$. About 9 × 10 5 years later, $M_p$ is approximately $60 M_⊕$ and $M_Z ≈ 16 M_⊕$, three-quarters of which are delivered by planetesimals larger than 10 km in radius. Around this epoch, the contraction of the envelope dictates gas accretion rates a few times 10 –3 $M_⊕$ per year, initiating the regime of disk-limited accretion, whereby the planet can accrete all the gas provided by the disk, and its evolution is therefore tied to disk's evolution. Growth is continued by constructing simplified models of protosolar accretion disks that evolve through viscous diffusion, winds, and accretion on the planet. Jupiter's formation ends after ≈ 3.4–4.2 Myr, depending on the applied disk viscosity parameter, when nebula gas disperses. The young Jupiter is 4.5–5.5 times as voluminous as it is presently and thousands of times as luminous, ~10 –5 $L_⊙$. The heavy-element mass is ≈ 20 $M_⊕$. The evolution proceeds through the cooling and contraction phase, in isolation except for solar irradiation. After 4570 Myr, the age of the solar system, radius and luminosity of the planet are within 10$\%$ of current values, accounting also for uncertainties in the power absorbed from the Sun. During formation, and soon thereafter, the planet exhibits features, e.g., luminosity and effective temperature, that may probe aspects of the latter stages of formation, if observable. These possibly distinctive features, however, seem to disappear within a few tens of Myr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Defect cluster and nonequilibrium gas bubble associated growth in irradiated UMo fuels – a cluster dynamics and phase field model

Irradiation examination shows that gas bubble swelling kinetics is much faster after irradiation-induced recrystallization than that prior recrystallization in UMo fuels. It implies that gas bubbles in coarse grains and small recrystallized grains have different growth behavior. In this work, a phase-field model of gas bubble evolution integrating microstructure dependent cluster dynamics has been developed, for the first time, to study the gas bubble swelling behavior in the recrystallization zone of UMo fuels. Generation, diffusion, reaction, sink, emission and clustering of vacancies and interstitials are described by the cluster dynamics model while a phase-field model is used to describe the evolution of non-equilibrium gas bubbles including nucleation and growth. With the coupled model, the effect of defect generation rate, clustering rate, interstitial emission and sink rates on grain boundaries on the gas bubble evolution are systematically simulated. A set of model parameters (defect generation rate, clustering rate, interstitial emission and sink rates) is determined by comparing measured and simulated gas bubble swelling kinetics. The results demonstrate that interstitial clustering is one of the important physical mechanisms which results in a fast gas bubble swelling kinetics in the recrystallization zone. The developed model can also be extended to study the associated growth of defect and second phase precipitates often observed in irradiated materials.

Hu, Shenyang↗
DOE OSTI2023

Gas-Phase Composition as a Predictive Metric for Calendar Life Behavior of Next-Generation Silicon Anodes

The expansion of renewable technologies and electrification of the transportation sector is driving increased demand for next-generation battery materials that provide higher power and energy density with superior cycling and calendar life stability. Silicon (Si) has a theoretical capacity nearly 10x that of graphite, and is therefore a promising anode material candidate to meet these rigorous performance demands. While leading Si anode battery demonstrations are approaching target metrics for cycle life, a series of complex and interrelated modes of reactivity lead to reduced calendar life and therefore challenge practical adoption of these materials. Deconvoluting the degradation processes that impact Si calendar life is critical to informing the rational and accelerated design of improved Si materials. In the present work, we employ novel sampling techniques and GC-MS-FID characterization to measure gas-phase composition during initial Si cycling, which we tie to selective mechanisms of Si passivation. We utilize a tiered analysis approach to identify and quantify the gas-phase reaction products associated with three advanced Si material candidates under practical operating conditions. Ex situ analysis of Si powders (pure chemical reactivity) is coupled with nondestructive in situ sampling of Si electrodes in a practical pouch-cell format (coupled chemical and electrochemical reactivity). We link the observed gas-phase species evolution to electrochemical behavior and measured calendar life of the three Si materials. Further, we evaluate the voltage-resolved evolution of gas-phase species for one such Si nanomaterial, where nonmonotonic gas generation implies competition between passivating reaction pathways. The measured gas-phase compositional data serves as a critical input for our advanced electrochemical SEI models to identify favorable vs unfavorable reaction pathways to stabilize Si. In addition to bolstering a fundamental understanding of Si reactivity, the present approach informs specific and quantifiable gas-phase metrics tied to calendar life improvements in Si, which can streamline and accelerate the process of next-generation material development.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2024

Phase field modeling of hydrogen release in nitrile-butadiene rubber composites after high-pressure hydrogen exposure

Experimental data showed that a simple diffusion model doesn’t suffice to explain the hydrogen (H 2 ) release kinetics in nitrile butadiene rubber (NBR) composites (one with no filler or plasticizer, one with plasticizer only, one with fillers and plasticizer, and one with fillers only) after exposed to hydrogen gas at a pressure of 27.6 MPa. In this work, we developed a phase field model that considers the effect of H 2 gas bubble evolution on H 2 release kinetics. With the model, we simulated the effect of thermodynamic and kinetics properties on the nucleation, growth, and shrinkage of gas bubbles and H 2 release kinetics during and after decompression. Here, the results demonstrated that 1) the model built upon certain thermodynamic and kinetics properties of a given material can well describe its H 2 release kinetics measured in experiments, and 2) the model can predict the gas bubble evolution, which is associated with the material property degradation and failures, with accurate thermodynamic and kinetics properties or H 2 release data from experiments.

08 HYDROGEN↗
DOE OSTI2023

Quantitative Insight to Fission Gas Bubble Distribution in Irradiated Annular U-10Zr Metallic Fuel Using Deep Learning

U-10Zr Metal fuel is a promising nuclear fuel candidate for next-generation sodium-cooled fast spectrum reactors. Porosity is one of the key facts to impact the performance of metallic fuel. Additionally, a mechanical understanding of fission gas bubbles evolution behavior is a prerequisite for fuel development and qualification. Previous study of fission gas bubbles relied on a simple threshold method working on low resolution optical microscopy images, which has challenges in recognizing bubble boundaries, and caused inaccurate statistics of bubble properties. In this paper, a pre-trained deep learning model on Scanning Electron Microscopy (SEM) images from an annular U-10Zr fuel (AF1), was applied to another U-10Zr annular fuel (AF2). More accurate fission gas bubble segmentation results were generated, which leads to more precise qualitative analysis on the morphology, size, density, and orientation of bubbles. Furthermore, we investigated the lanthanide movement along the radial temperature gradient and obtained conclusive findings.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tracing the Evolution of the Cool Gas in CGM and IGM Environments through Mg II Absorption from Redshift z = 0.75 to z = 1.65 Using DESI-Y1 Data

We present a measurement of the mean absorption of cool gas traced by Mg II (λλ2796, 2803) around emission line galaxies (ELGs), spanning spatial scales from 20 kpc to 10 Mpc. The measurement is based on crossmatching the positions ELGs at z = 0.75–1.65 and the metal absorption in the spectra of background quasars with data provided by the Year 1 sample of the Dark Energy Spectroscopic Instrument. The ELGs are divided into two redshift intervals: 0.75 < z < 1.0 and 1.0 < z < 1.65. We find that the composite quasar spectra constructed by stacking the ELG-QSO pairs evolve with redshift, with z > 1 having a systematically higher signal of Mg II absorption. Within 1 Mpc, the covering fraction of the cool gas at z > 1 is higher than that of z < 1. The enhancement becomes less apparent especially if the projected distance r p > 1 Mpc. ELGs with higher stellar mass and star formation rate (SFR) yield higher clustering of Mg ii absorbers at z < 1. For z > 1, the covering fractions with different SFRs show little difference. The higher Mg II absorption at higher redshift supports the observations of higher star formation at cosmic noon. Converting the Mg II absorbers to unsaturated Si II , our estimate indicates that the metal abundance of Si II ranges from 0.7 to 1.2 × 10 −6 from z = 0.9 to 1.3. The growth of low-ionization metal abundance strongly suggests a metal-enriched circumgalactic medium and an increased presence of cool gas in the intergalactic medium toward higher redshifts.

circumgalactic medium↗
DOE OSTI2021

An experimental and one-dimensional modeling analysis of turbulent gas ejection in pre-chamber engines

In this work, experimental results from a study on the evolution of gas jets ejected through the orifices of a pre-chamber in a heavy-duty optical engine are presented. The work examines conditions without fuel inside the main-chamber, which helps to describe the dynamics of the ejected gas jets without the interference of subsequent combustion in the main-chamber. Experimental diagnostics consist of high-speed visible intensified imaging and low-speed infrared imaging. Additionally a one-dimensional gas jet model is used to characterize the spatial distribution of the ejected flow, including parameters such as tip penetration, which are then validated based on experimental results. Different stages in the ejection of pre-chamber jets are identified, with chemical activity restricted to a maximum distance of 5 to 10 orifice diameters downstream of the orifice as indicated by the recorded visible radiation. Sensitivity of cycle-to-cycle variations in pre-chamber jet development to the air-to-fuel ratio in the pre-chamber observed in the experiments is in most part attributed to the variations in the timing of combustion initiation in the pre-chamber. The influence of the ejection flow on the penetration of the gas jet on a cycle-to-cycle basis is presented using the one-dimensional model. The one-dimensional model also indicates that the local flow exhibits highest sensitivity to operating conditions during the start of ejection until the timing when maximum flow is attained. Differences that exist during the decreasing mass-flow ejection time-period tend to smear out in part due to the transient slowdown of the ejection process.

1-D gas jet model↗
DOE OSTI2024

Temporal and spatial characterization of a thermogenic, fault-controlled gas hydrate system, Woolsey Mound, Gulf of Mexico

Woolsey Mound, located at Mississippi Canyon Lease Block 118 (MC118), is the site of the Gulf of Mexico hydrate research consortium’s seafloor observatory, where gas hydrates outcrop at the seafloor. The presence of gas hydrates in the mound is confirmed directly by coring and indirectly by 3D seismic reflection data. Craters, pockmarks, chemosynthetic communities, and authigenic carbonates populate the seafloor at Woolsey Mound. Each crater is characterized by a network of shallow crestal faults that connect the hydrate mound to the underlying allochthonous salt body. We characterize the temporal and spatial evolution of gas hydrates at Woolsey Mound under natural perturbations using four collocated 3D seismic reflection data sets that span over 14 years. Data acquisition differences embedded in the data sets arising from variation in geometry, sample rate, and phase are minimized using the “cross-equalization” method. Our results indicate that hydrate formation and dissociation vary temporally and spatially in close connection to the shallow crestal faults. Evidence of gas hydrate dissociation is observed over a period of three years (2000–2003), where major dissociation occurred along the southern portion of the crestal fault in the southeast crater. The dissociation is less prominent in the southwest crater. Evidence of methane venting is observed between 2000 and 2010, which is mostly concentrated in the southeast crater. The residual amplitude anomalies observed between 2000 and 2014 in the mound are mostly positive, implying that the methane venting had increased significantly. The positive anomalies are correlated with the methane seepage recorded in 2011. Our results indicate the evolution of a fault-controlled gas hydrate system in the northern Gulf of Mexico, which would aid in assessing its impact on the seafloor.

Geochemistry & Geophysics↗
DOE OSTI2024

TChem-atm v1.0

SAND2024-11300O TChem-atm is a software library that was developed to solve complex kinetic models for atmospheric chemistry applications. TChem-atm interface employs a hierarchical parallelism design to exploit the massive parallelism available from modern computing platforms. It also supports gas atmospheric chemistry applications, e.g., the energy exascale earth system model. TChem can be used as a box model or coupled with a climate model to compute the time evolution of gas tracer species. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗
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 OSTI2022

Chromium-coated cladding analysis under simulated LOCA burst conditions

Of the near-term accident-tolerant fuel concepts identified, chromium coatings have been shown to slow cladding oxidation without altering fuel system geometry or greatly affecting neutronic performance. To identify how coated cladding tubes perform under high-temperature accident conditions, pressurized-tube burst tests were conducted in the Severe Accident Test Station at Oak Ridge National Laboratory. To analyze how the coating affects cladding behavior, coated and uncoated cladding burst tests were simulated by using the BISON fuel performance code. Thermocouple data from these tests were fit into axial and azimuthal profiles and combined to generate 3D cladding surface temperatures, and pressure transducer data were compared until cladding failure. Additionally, the cladding temperatures at failure and the internal gas pressure evolution show relatively good agreement between the simulation and experiment results. Simulations were then extrapolated to demonstrate the coatings effectiveness to increasing the cladding burst temperature by using a parametric evaluation of the initial tube gas pressure. This work demonstrates the possibility of an increased cladding failure margin under transient conditions due to the addition of chromium coating, and more pertinently, an increased cladding failure margin from more accurate experimental characterization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗