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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.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

On the pressure and temperature dependence of adsorption densities and other thermodynamic properties in gas shales

Black shale source rocks have become a key natural gas resource in the US and China. Unlike in conventional hydrocarbon reservoirs, a significant fraction of the gas in shales is adsorbed onto the inordinate specific surface areas (SSA) of micropores inside organic matter with densities exceeding those of bulk gas by an order of magnitude. Yet, the distribution of adsorbed versus bulk gas remains poorly understood. Experiments measure excess adsorption isotherms, which are corrected to absolute adsorption amounts by a factor that involves the density, ρ abs , of the adsorption layer(s). Constant values of ρ abs are widely used in the literature but, we argue, are inconsistent with the pressure- and temperature-dependence of adsorption behavior. In this work, we propose a more reliable approach that assumes a constant volume of each adsorption layer that can be determined from the SSA of the substrate. We measure nine high-pressure methane excess adsorption isotherms up to 15 MPa for three shale samples from China and Germany at temperatures of 65, 75, and 95 °C, and low-pressure carbon dioxide and nitrogen isotherms to estimate the SSA. We also investigate another 24 isotherms at 35, 50, and 60° C or 8 Chinese shale samples and 3 isotherms at 60, 90, and 120° C for an Argentinian shale sample from the literature. A new variation of the multi-layer Ono-Kondo lattice model is introduced to derive the temperature and pressure dependent adsorption layer densities, which are subsequently used to obtain the absolute adsorption isotherms of interest. Finally, this practical methodology has the potential to significantly improve our estimates of shale gas-in-place resources, and adsorption modeling more broadly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Estimating Compressional Velocity and Bulk Density Logs in Marine Gas Hydrates Using Machine Learning

Compressional velocity (Vp) and bulk density (ρb) logs are essential for characterizing gas hydrates and near-seafloor sediments; however, it is sometimes difficult to acquire these logs due to poor borehole conditions, safety concerns, or cost-related issues. We present a machine learning approach to predict either compressional Vp or ρb logs with high accuracy and low error in near-seafloor sediments within water-saturated intervals, in intervals where hydrate fills fractures, and intervals where hydrate occupies the primary pore space. We use scientific-quality logging-while-drilling well logs, gamma ray, ρb, Vp, and resistivity to train the machine learning model to predict Vp or ρb logs. Of the six machine learning algorithms tested (multilinear regression, polynomial regression, polynomial regression with ridge regularization, K nearest neighbors, random forest, and multilayer perceptron), we find that the random forest and K nearest neighbors algorithms are best suited to predicting Vp and ρb logs based on coefficients of determination (R2) greater than 70% and mean absolute percentage errors less than 4%. Given the high accuracy and low error results for Vp and ρb prediction in both hydrate and water-saturated sediments, we argue that our model can be applied in most LWD wells to predict Vp or ρb logs in near-seafloor siliciclastic sediments on continental slopes irrespective of the presence or absence of gas hydrate.

Naim, Fawz↗
DOE OSTI2021

A low power flexible dielectric barrier discharge disinfects surfaces and improves the action of hydrogen peroxide

There is an urgent need for disinfection and sterilization devices accessible to the public that can be fulfilled by innovative strategies for using cold atmospheric pressure plasmas. Here, we demonstrate a successful novel combination of a flexible printed circuit design of a dielectric barrier discharge (flex-DBD) with an environmentally safe chemical reagent for surface decontamination from bacterial contaminants. Flex-DBD operates in ambient air, atmospheric pressure, and room temperature without any additional gas flow at a power density not exceeding 0.5 W/cm 2 . The flex-DBD activation of a 3% hydrogen peroxide solution results in the reduction in the bacterial load of a surface contaminant of > 6log 10 in 90 s, about 3log 10 and 2log 10 better than hydrogen peroxide alone or the flex-DBD alone, respectively, for the same treatment time. We propose that the synergy between plasma and hydrogen peroxide is based on the combined action of plasma-generated OH · radicals in the hydrogen peroxide solution and the reactive nitrogen species supplied by the plasma effluent. A scavenger method verified a significant increase in OH · concentration due to plasma treatment. Novel in-situ FTIR absorption spectra show the presence of O 3 , NO 2 , N 2 O, and other nitrogen species. Ozone dissolving in the H 2 O 2 solution can effectively generate OH · through a peroxone process. The addition of the reactive nitrogen species increases the disinfection efficiency of the hydroxyl radicals and other oxygen species. Hence, plasma activation of a low concentration hydrogen peroxide solution, using a hand-held flexible DBD device results in a dramatic improvement in disinfection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Superdiffusion from Emergent Classical Solitons in Quantum Spin Chains

Finite-temperature spin transport in the quantum Heisenberg spin chain is known to be superdiffusive, and has been conjectured to lie in the Kardar-Parisi-Zhang (KPZ) universality class. Using a kinetic theory of transport, we compute the KPZ coupling strength for the Heisenberg chain as a function of temperature, directly from microscopics; the results agree well with density-matrix renormalization group simulations. Here, we establish a rigorous quantum-classical correspondence between the “giant quasiparticles” that govern superdiffusion and solitons in the classical continuous Landau-Lifshitz ferromagnet. We conclude that KPZ universality has the same origin in classical and quantum integrable isotropic magnets: a finite-temperature gas of low-energy classical solitons.

1-dimensional spin chains↗
DOE OSTI2025

Dynamical control in a prethermalized molecular ultracold plasma: Local dissipation drives global relaxation

Prethermalization occurs as an important phase in the dynamics of isolated many-body systems when coupled degrees of freedom relax in a subspace separated from a state of complete thermodynamic equilibrium by a gap in energy or other conserved quantity. Slow equilibration from a prethermal phase can localize the dynamics of natural and model systems despite high dimensionality and limited disorder. Here, we report the signature of an enduring prethermal regime of arrested relaxation in the molecular ultracold plasma that forms following the avalanche of a state-selected Rydberg gas of nitric oxide. For a wide range of initial conditions, this system enters a critical phase in which a density of NO + and electrons balances a population of Rydberg molecules. Electron collisions mix orbital angular momentum, scattering Rydberg electrons to states of very high ℓ . The rapid predissociation of molecules in states of low- ℓ purifies this high- ℓ ensemble. The angular momentum barrier that separates NO + ions and electrons creates an extraordinary gap between the plasma states of n ≈ ℓ , with measured n > 200 and penetrating states of ℓ = 0 , 1 , and 2. Evolution to a statistically equilibrated state of N and O atoms cannot occur without Rydberg electron penetration, and this gap blocks relaxation for a millisecond or more. A weak radiofrequency (RF) field drives ℓ -mixing electron collisions that erase this gap, causing wholesale dissipation. Remarkably, a local quantum-state transition promoting an exceedingly small fraction of the molecules in the prethermalized ensemble to a predissociative state also acts with a global effect, driving the entire system to a dissipative equilibrium. Using the Lindblad master equation, we illustrate qualitatively similar dynamics for a toy model of an open quantum system that consists of a localized set of spins on which dissipation acts at a single site as a gateway to equilibrium. Published by the American Physical Society 2025

Wang, Ruoxi↗
DOE OSTI2021

Isotope dependence of the type I ELMy H-mode pedestal in JET-ILW hydrogen and deuterium plasmas

The pedestal structure, edge transport and linear MHD stability have been analyzed in a series of JET with the ITER-like wall hydrogen (H) and deuterium (D) type I ELMy H-mode plasmas. The pedestal pressure is typically higher in D than in H at the same input power and gas rate, with the difference mainly due to lower density in H than in D (Maggi et al (JET Contributors) 2018 Plasma Phys. Control. Fusion 60 014045). A power balance analysis of the pedestal has shown that higher inter-ELM separatrix loss power is required in H than in D to maintain a similar pedestal top pressure. This is qualitatively consistent with a set of interpretative EDGE2D-EIRENE simulations for H and D plasmas, showing that higher edge particle and heat transport coefficients are needed in H than in D to match the experimental profiles. It has also been concluded that the difference in neutral penetration between H and D leads only to minor changes in the upstream density profiles and with trends opposite to experimental observations. This implies that neutral penetration has a minor role in setting the difference between H and D pedestals, but higher ELM and/or inter-ELM transport are likely to be the main players. The interpretative EDGE2D-EIRENE simulations, with simultaneous upstream and outer divertor target profile constraints, have indicated higher separatrix electron temperature in H than in D for a pair of discharges at low fueling gas rate and similar stored energy (which required higher input power in H than in D at the same gas rate). The isotope dependence of linear MHD pedestal stability has been found to be small, but if a higher separatrix temperature is considered in H than in D, this could lead to destabilization of peeling-ballooning modes and shrinking of the stability boundary, qualitatively consistent with the reduced pedestal confinement in H.

08 HYDROGEN↗
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Ga2O3 Via Three-Step Processing

Ga2O3 is being actively explored for power electronics, deep-ultraviolet optoelectronics, and other applications due to its ultra-wide bandgap and low projected fabrication cost of large-size and high-quality crystals. N-type doping of Ga2O3 can be achieved and tuned, but p-type doping faces fundamental obstacles due to deep character of acceptor levels and polaron transport of resulting holes. However, successful engineering of Ga2O3 based devices requires critical control of doping density, Fermi level position, and free carrier concentration, providing opportunities for predictive process simulation. We use first-principles defect theory and defect equilibrium calculations to simulate a 3-step growth-annealing-quench protocol for hydrogen assisted Mg doping in Ga2O3, taking into account the hydrogen-oxygen-water gas phase equilibrium. We predict type conversion to a net p-type regime following O-rich annealing after growth under reducing conditions in the presence of H2. This process is similar to the Mg acceptor activation by H removal in GaN. We show that there is an optimal temperature that maximizes the net acceptor density during the equilibrium annealing step for a given Mg doping level. Quenching of non-equilibrium annealed samples then results in a Fermi level EF below mid-gap down to about EV +1.5 eV, creating a significant number of uncompensated neutral MgGa0 acceptors. The resulting free hole concentration in quenched samples is very low (109 – 1012 cm-3) due to deep energy level of these Mg acceptors, but this type converted Ga2O3 material can create a significant built-in field in a p-n junction with an adjoining n-type material. Additionally, the electron concentration is greatly suppressed in such acceptor-doped Ga2O3, which could enable the use as a current blocking layer to fabricate normally-off (enhancement-mode) vertical Ga2O3 based metal-oxide-semiconductor field effect transistors (MOSFETs), and as a guard ring for edge termination in MOSFETs and Schottky barrier diodes (SBDs) with increased breakdown voltage.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗
DOE OSTI2021

Interferometric SAR modelling of near surface data to improve geological model in the Surat Basin, Australia

Here we present a study on geophysical inverse modelling for subsurface structural properties of an unconventional hydrocarbon site that was monitored previously by Interferometric Synthetic Aperture Radar (InSAR) technology for surface deformation. A static three-dimensional geomodel along with extracted property maps replicates the depth of each underlying stratigraphic unit and structural feature with the density of each geological layer. We examine the hypothesis that integration of elastic properties of each formation layer with InSAR observations in a stratified elastic medium will lead to a viscoelastic geophysical inverse problem that can be solved to estimate fractional volume change at the reservoir level. Moreover, we examine synthetic scenarios in which the elastic properties of the formations are perturbed before determining the resulting impact on the rate of surface deformation. The results show that although the slope of underlying formations, their density and depth can define the extent and pattern of a deformation signal, their properties have a marginal impact on volumetric change compared to the dense network of shallow depth Coal Seam Gas (CSG) mining wells. Besides, it is also demonstrated that the inversion of InSAR deformation maps can resolve the uncertainties associated with low-resolution seismic interpretation as well as filling the data gaps within seismic acquisitions. A significant contribution of this investigation to the geological basin modelling involves a) introducing a remote and non-invasive technology such as InSAR to improve geophysical mapping of subsurface structures such as faults in areas with sparse or no reflective seismic information, and b) applying a multi-layer viscoelastic geophysical source model for an unconventional hydrocarbon reservoir such as CSG.

58 GEOSCIENCES↗
DOE OSTI2025

Critical Component/Technology Gap in 21 st Century Power Plant Gasification Based Polygeneration: Advanced Ceramic Membranes/Modules for Ultra Efficient Hydrogen (H 2 ) Production/Carbon Dioxide (CO 2 ) Capture for Coal-Based Polygeneration

The 21 st Century Power Plant Gasification Based Polygeneration power plant layout is a relatively straightforward retrofit of well-established ammonia synthesis technology to the baseline IGCC process and envisions co-production of power and chemicals from coal in the context of carbon capture. A Dual Stage Membrane Process (DSMP) for pre-combustion CO 2 capture in a coal fired IGCC power plant has been demonstrated by Media and Process Technology Inc (MPT) (DE-FE0013064) in bench-scale live gas testing at the NCCC. This work, however, highlighted the importance of permeate purge capability to deliver deep H 2 recovery at moderate pressures and high carbon capture performance. Further, in the area of warm gas processing, a permeate purgeable membrane support for a wide range of inorganic high-performance membrane materials (CMS, Pd-alloy, zeolite, ZIF, graphene, etc.) was not available and hence had been a common and significant barrier to their commercialization. Hence, the Critical Technology Gap to implementing the DSMP in the Polygeneration power plant and more broadly in advanced warm gas separation applications was the inability to permeate purge the membranes coupled with the lack of the availability of a high packing density scalable package design. To overcome this Critical Technology Gap, in this project, the primary objective was the development of a permeate purgeable full ceramic support for these high-performance inorganic membranes and the complementary high packing density housing. Our goal and approach were to extend our “candle filter” design to a “dual end open” package to enable permeate purge and scalability. Microporous ceramic membranes have been proven to be a low cost, stable material for high temperature applications under harsh environment. They are the leading support choice of researchers in advanced inorganic membrane development in applications such as pre-combustion CO 2 capture. The new 2nd Generation “dual end open” bundle developed in this project is a universal support for these existing and emerging inorganic membrane technologies that up to now have lacked a pathway out of the laboratory. The full ceramic permeate purgeable support represents a transformational technology and opens the door to commercialization of these advanced membrane materials in a wide array of mega scale commercial applications in gas (and liquid) processing under aggressive conditions not suited to conventional polymeric membranes.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Neutron-producing gas puff Z-pinch experiments on a fast, low-impedance, 0.5 MA linear transformer driver

A study on the neutron production from single and double gas puff Z-pinches on the CESZAR linear transformer driver with ~0.45 MA current and 170 ns rise time is presented. Total neutron yield measurements made with a LaBr activation detector are compared for three configurations, using a double nozzle setup. When a single, hollow, deuterium gas shell was used, reliable implosions could only be attained at higher load mass than the optimal value to match implosion time with the driver rise time, with neutron yields of ~10 6 per pulse. The use of a double gas puff configuration with a deuterium center jet allowed a reduction in the shell density and operation closer to machine-matched conditions, recording up to (4.1 ± 0.3) × 10 7 neutrons/pulse when either Kr or D 2 was used in the shell. For a comparable mass and implosion time, using a higher atomic-number gas in the outer shell results in more unstable plasma surface and smaller plasma radius at the location of instability bubbles, which, however, do not seem to consistently correlate with a higher neutron yield. Comparing implosion dynamics with models and neutron yields with literature scaling suggests that the machine current is not well coupled to the plasma during the final stages of compression. Optimizing current and energy coupling to the pinched plasma is critical to improving performance, particularly in low-impedance drivers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Drift-cyclotron loss-cone instability in 3-D simulations of a sloshing-ion simple mirror

The kinetic stability of collisionless, sloshing beam-ion (45° pitch angle) plasma is studied in a three-dimensional (3-D) simple magnetic mirror, mimicking the Wisconsin high-temperature superconductor axisymmetric mirror experiment. The collisional Fokker–Planck code CQL3D-m provides a slowing-down beam-ion distribution to initialize the kinetic-ion/fluid-electron code Hybrid-VPIC, which then simulates free plasma decay without external heating or fuelling. Over 1 – 10 μs, drift-cyclotron loss-cone (DCLC) modes grow and saturate in amplitude. The DCLC scatters ions to a marginally stable distribution with gas-dynamic rather than classical-mirror confinement. Sloshing ions can trap cool (low-energy) ions in an electrostatic potential well to stabilize DCLC, but DCLC itself does not scatter sloshing beam-ions into the said well. Instead, cool ions must come from external sources such as charge-exchange collisions with a low-density neutral population. Manually adding cool ∼1keV ions improves beam-ion confinement several-fold in Hybrid-VPIC simulations, which qualitatively corroborates prior measurements from real mirror devices with sloshing ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations

We present the development and verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations. We apply the corrected binary collision model originally developed for charged-particles collisions to all considered scattering channels, including Coulomb collisions, elastic neutral–neutral and charged–neutral collisions, ionization, excitation, and fusion. The model's implementation is described and verified through a series of simulations, including charged- and neutral-particle thermal equilibration, slowing of electrons in warm solid-density aluminum, collisional damping of a Langmuir wave, helium gas breakdown in an applied electric field, and thermonuclear and beam–target fusion. Then, we demonstrate the model within simulations of hydrogen plasma formation in the Princeton Field-Reversed Configuration as well as of the burning of aneutronic fusion fuel p-11B. The latter includes measurement of the fusion power density in a low-density plasma and fusion production due to the stopping of a proton ignitor beam in a compressed boron target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Application of helium line intensity ratio spectroscopy to xenon plasma in E × B Penning discharge

Here, we propose the application of helium line intensity ratio spectroscopy in a low-pressure (0.3 mTorr) xenon E × B discharge with an electron temperature of ~2 eV and a density of 10 10 –10 11 cm –3 . We successfully identified the helium atom line emissions at 388.9, 447.1, 501.6, 504.8, and 706.5 nm with helium pressures of up to ~20 mTorr. The measured electron temperature, density, and I–V characteristics of the discharge remained almost constant in all helium pressures in the present experiment, indicating the suitability of the helium gas as a diagnostic gas. The results of helium line intensity ratio spectroscopy using the line emissions at 388.9, 447.1, and 504.8 nm showed fair agreement with the Langmuir probe measurement. Considering the trade-off relationship between the disturbance introduced by the helium gas and the signal-to-noise ratio, we conclude that a helium pressure of approximately 4 mTorr (approximately 13 times the partial pressure of xenon) represents the optimal pressure range for the application of the helium line emission intensity ratio method to this xenon plasma. It is found that the use of the line emissions at 501.6 and 706.5 nm result in a significant disturbance in the helium line intensity ratio method due to the radiation trapping effect.

helium line intensity ratio spectroscopy↗
DOE OSTI2022

Experimental study on the role of the target electron temperature as a key parameter linking recycling to plasma performance in JET-ILW*

Changes in global and edge plasma parameters (H98(y,2), dimensionless collisionality ν*, core density peaking, separatrix density ne,sep) with variations in the D2 fueling rate and divertor configuration are unified into a single trend when mapped to $\langle$Te,ot$\rangle$, the spatially averaged spectroscopically derived outer target electron temperature. Dedicated JET with the ITER-like wall (JET-ILW) experiments in combination with an extended JET-ILW database of unseeded low-triangularity H-mode plasmas spanning a wide range of D2 fueling rates, Ip, Bt and heating power have demonstrated the importance of $\langle$Te,ot$\rangle$ as a key physics parameter linking the recycling particle source and detachment with plasma performance. The remarkably robust H98(y,2) trend with $\langle$Te,ot$\rangle$ is connected to a strong inverse correlation between $\langle$Te,ot$\rangle$, ne,sep and ν*, thus directly linking changes in the divertor recycling moderated by $\langle$Te,ot$\rangle$ with the previously established relationship between ν*, core density peaking and core pressure resulting in a degradation in core plasma performance with decreasing $\langle$Te,ot$\rangle$ (increasing ν*). Additionally, a strong inverse correlation between the separatrix to pedestal density ratio, ne,sep/ne,ped, and $\langle$Te,ot$\rangle$ is also established, with the rise in ne,sep/ne,ped saturating at $\langle$Te,ot$\rangle$ > 10 eV. A strong reduction in H98(y,2) is observed as $\langle$Te,ot$\rangle$ is driven from 30 to 10 eV via additional D2 gas fueling, while the divertor remains attached. Consequently, the pronounced performance degradation in attached divertor conditions has implications for impurity seeding radiative divertor scenarios, in which H98(y,2) is already low (~0.7) before impurities are injected into the plasma since moderate gas fueling rates are required to promote high divertor neutral pressure. A favorable pedestal pressure, pe,ped, dependence on Ip has also been observed, with an overall increase in pe,ped at Ip = 3.4 MA as $\langle$Te,ot$\rangle$ is driven down from attached to high-recycling divertor conditions. In contrast, pe,ped is reduced with decreasing $\langle$Te,ot$\rangle$ in the lower Ip branches. Further work is needed to (i) clarify the potential role of edge opacity on the observed favorable pedestal pressure Ip scaling; as well as to (ii) project the global and edge plasma performance trends with $\langle$Te,ot$\rangle$ to reactor-scale devices to improve predictive capability of the coupling between recycling and confined plasma fueling in what are foreseen to be more opaque edge plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Using nickel-molybdenum cathode catalysts for efficient hydrogen gas production in microbial electrolysis cells

A low-cost cathode catalyst based on a NiMo alloy was examined here to replace noble metals for the hydrogen production in microbial electrolysis cells (MECs). Two NiMo catalysts were synthesized through either an electrochemical assisted (NiMo Elec) or a hydrothermal (NiMo Ht) approach. The NiMo Ht method enriched the electrocatalyst with Mo atoms compared to the NiMo Elec approach, producing a similar current density with a minimal overpotential of 50mV compared to Pt. Further, in MEC tests using the NiMo Ht catalyst, H 2 was generated at a highest rate of 81±3 L H2 /L-d (current density of 44.4 ± 0.9 A/m 2 ) at a cell voltage of -0.86 V, and a Coulombic efficiency of >97%. Modifying the closely stacked MEC design to include a reference electrode, and analysis of the electrode potentials using the electrode potential slope method, revealed a large contribution of the cathode resistance (5.3±0.5mΩm 2 ) compared to the anode (1.4±0.2mΩm 2 ) and ohmic resistance (0.83mΩm 2 ) for a total internal resistance of 7.6±0.5mΩm 2 . The high performance of the NiMo Ht catalyst coupled with its low cost provides an economically viable approach to advance the generation of biohydrogen in MECs.

25 ENERGY STORAGE↗
DOE OSTI2024

Effects of drive pulse shape on graded metal pushered single shell capsule implosions on the National Ignition Facility

Graded metal pushered single shells (PSS) are a viable alternative to low-Z capsules (Z is the atomic number) for indirect drive inertial confinement fusion implosions due to enhanced core tamping and radiation trapping, but they can be compromised by the pusher mixing with the fuel. We compare 2-shock and 3-shock laser pulses for Be/Cr PSS capsules filled with deuterium–tritium gas fuel at 6 mg/cc density. 1D radiation-hydrodynamic simulations predict higher core compression and, hence, ∼2× higher fusion yield for the 3-shock drive than for 2-shock. Nevertheless, we observe similar core ion temperatures and fusion yields for both drives. The implosion burn duration is 25% shorter and the core volume is ∼2.5× smaller for the 3-shock drive than for 2-shock, consistent with a higher compression. 1D LASNEX mix simulations using a buoyancy-drag model matching the measured yields also agree with the observed core sizes and burn durations and suggest ∼40% and ∼70% yield degradations for 2-shock and 3-shock drives due to hydrodynamic instabilities and atomic mix at the pusher–fuel interface. At the same time, 2D HYDRA simulations show that mid-mode (2–250) instability degradations are negligible for the 2-shock implosion (9%) and significant (45%) for 3-shock. Subtracting these from the 1D mix simulations, we infer similar degradations from high-mode instabilities and atomic mix for both drives. Due to its robustness to mid-mode instabilities, future pusher–gas mix studies will use the 2-shock drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Particle-in-cell simulations and passive bulk model of collisional capacitive discharge

Intermediate pressure (0.2–6.0 Torr), radio frequency capacitive discharges are of increasing importance in the thin film processing industry. However, existing low pressure (<0.1 Torr) discharge models are often used beyond their applicability in this pressure range. In this work, the authors performed one-dimensional particle-in-cell (PIC) simulations of a capacitive 2.5 cm gap argon discharge driven at 13.56 MHz with current density amplitude J 0 50 A/m 2 over a wide range of gas pressures p g = 0.04–20 Torr. For intermediate pressures, the PIC results showed that most of the ionization occurs near the plasma-sheath edges with very little occurring within the central bulk region. This led us to develop a “passive bulk” model of the discharge in which bulk electron heating does not contribute to ionization, and all the ionization is due solely to the sheath-heated electrons. The model assumes a constant ion-neutral mean free path λ i in the plasma bulk and either constant λ i or constant ion mobility μ i in the sheaths. The model is solved using an electron temperature iteration scheme. The PIC scalings of the discharge equilibrium parameters (e.g., electron density and temperature, sheath width, and voltage) with the input parameters p g and J 0 showed good agreement with those of the passive bulk model. A constant μ i sheath model showed the best agreement with the PIC results in the intermediate pressure regime of interest, but a constant λ i model is simpler to implement and showed reasonable agreement over a wide pressure range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deployment of BISON models of fuel restructuring at high burnup and related fission gas behavior in UO 2

This milestone report details the advancements made in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to improve the modeling of fission gas behavior in high burnup UO 2 nuclear fuel in the BISON fuel performance code. As nuclear fuel is pushed to higher burnups, significant microstructural changes occur within the fuel, including the formation of a high burnup structure (HBS) on the pellet rim and a dark zone deeper within the pellet. These regions, characterized by subgrain formation and increased pore densities, have critical implications for fission gas behavior and release, which are not well understood. The modeling capabilities in BISON did not adequately predict these phenomena, leading to an underestimation of fuel restructuring and - potentially - of fission gas release. To address these gaps, this milestone focused on three key objectives: (1) reviewing and assessing Sifgrs's capabilities for low burnup fuel, on which high burnup capabilities rely, (2) validating and expanding HBS fission gas modeling capabilities, including investigating mechanisms for fission gas release from HBS, and (3) expanding Sifgrs to enable modeling of dark zone formation and its effects on fission gas behavior. These objectives were achieved and are described herein. The achievements of this NEAMS milestone are significant for the industry's goal of burnup extension. The improved predictive modeling capabilities for both low- and high-burnup conditions enhance our understanding of fuel performance under both normal operations and transient scenarios. Although goals were reached, future work is necessary to validate these models against experimental data and quantify their accuracy in different conditions. In parallel, mechanistic modeling efforts should continue to extend and refine these capabilities to increase accuracy while reducing reliance on empirical models. This will ensure robust performance across a broader range of conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗