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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Numerical modeling of plasma assisted deflagration to detonation transition in a microscale channel

Here, this work numerically studies the plasma assisted deflagration to detonation transition (DDT) of H 2 /O 2 mixtures in a microscale channel with detailed chemistry and transport. The results show that the DDT onset time is non-monotonically dependent on the discharge pulse number. The DDT is accelerated with small pulse numbers, whereas retarded with large ones. Two different DDT regimes, respectively at a small and large plasma discharge number, via acoustic choking of the burned gas and plasma-enhanced reactivity gradient without acoustic choking, are observed. Without plasma discharge, pronounced pressure and temperature gradients in front of the flame are generated by acoustic compression after the choking of the burned gas, triggering DDT via autoignition. With small plasma pulse numbers, the plasma-generated species enhance the ignition kinetics and lead to an increased reactivity in the boundary layer. After the choking of the burned gas, the plasma-enhanced reactivity advances the sequence of autoignition near the wall, strengthens ignition-shock wave coupling, and accelerates DDT. However, with a large discharge pulse number, a direct autoignition initiating DDT can occur without the acoustic choking of the burned gas due to the strongly accelerated reactivity and elevated temperature. In this case, DDT onset is retarded because the elevated temperature increases sonic velocity and the increased reactivity accelerates fuel oxidation in front of the flame, decelerating the formation of a leading shock and subsequent pressure buildup ahead of the flame. The present modeling reveals that no matter with or without plasma discharge, DDT is initiated by autoignition in thermal, pressure, and reactivity gradient fields via the Zel'dovich gradient mechanism. The acoustic choking of the burned gas may not be the necessary condition of DDT with strong plasma-enhanced reactivity gradient. This work provides an answer to the experimentally observed non-monotonic DDT onset time by plasma, which provides guidance to control DDT in advanced detonation engines and fire safety of hydrogen-fueled catalytic reactors in microchannels by non-equilibrium plasma discharge.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Impacts of advanced diesel combustion operation and fuel formulation on soot nanostructure and reactivity

Advanced diesel combustion, accomplished via a single pulse fuel injection and high levels of exhaust gas recirculation (referred to as “PCCI”, partially-premixed charge compression ignition), is shown to be a path to reduce oxides of nitrogen and particulate matter simultaneously. This is well established in the literature. Less established is the extent to which such dilute combustion processes influence soot formation and affect soot that is emitted from diesel engines under such combustion modes. This work focuses on characterization of the nanostructure and oxidative reactivity of soot generated by a light-duty turbodiesel engine operating under a PCCI combustion mode, a dilute, low-temperature combustion process. Previous work on a type of PCCI combustion, referred to as high-efficiency clean combustion (HECC), showed soot samples having a fullerenic nanostructure, characterized by high levels of tortuosity of the fringe layers as seen in transmission electron micrograph images and as quantified using an image processing algorithm. Thermogravimetric analysis of the HECC mode soot samples showed that they displayed higher rates of oxidation than soot samples from a conventional diesel combustion mode. The present work returns to PCCI combustion, considering the timing of the main fuel injection, and the effects of operating on fuels rich in n-alkanes, particularly a fuel produced from a low temperature Fischer-Tropsch process (LTFT) and a renewable diesel fuel (RD) produced via hydrodeoxygenation of a plant oil. PCCI combustion conditions yield soot that shows higher reactivity compared to soot from the conventional combustion mode regardless of fuel type. LTFT and RD fuels produce soots with lower reactivity compared to ULSD. Soots produced from PCCI combustion have higher surface oxygen concentration and higher proportion of amorphous carbon. In addition, TEM images show that PCCI soots from all three fuels have smaller primary particle and particle aggregate sizes, and smaller graphene layers. These properties explain the higher reactivity of soot from PCCI combustion. The less reactive soots, which are produced from LTFT and RD fuel under conventional combustion, show internal burning during oxidation. However, soots with higher reactivity which are produced from late injection PCCI combustion and ULSD show shrinking core oxidation, most likely because of their overall amorphous structure.

42 ENGINEERING↗
DOE OSTI2022

Burnable absorbers in nuclear reactors – A review

Burnable absorbers can benefit nuclear reactors of virtually any design by providing reactivity control for extended fuel cycles, tritium production, burning of long-lived radionuclides, and reactor safety. When selecting the ideal burnable absorber type and its design, one must consider the resulting impact on the reactor’s fuel cycle design and cost, reactivity, thermal hydraulics, manufacturing, and radiation response. These selection criteria, as well as neutronic and thermophysical material property requirements, may be vastly different depending on whether the burnable absorber is intended for use in a commercial water-cooled reactor, a research reactor, or a next-generation advanced reactor system. A recent integration, synthesis, description of past and present technologies, and identification of existing gaps and areas of future research is lacking on these important topics. Here, this paper includes a fundamental description of the use of burnable absorbers and their impacts on reactivity, absorber depletion, self-shielding, basic thermophysical properties, and the use of burnable absorbers in next-generation nuclear applications..

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Combustion of metal powder with dinitrogen tetroxide

In this work, we present analysis of a novel reactive material system that employs dinitrogen tetroxide (N 2 O 4 ) as a liquid oxidizer with metal powder fuels. The oxidizer was added to micron scale aluminum and zirconium powders by a remote injection system. When ignited with a high voltage spark, the mixtures were observed to possess reactivity comparable to nanocomposite reactive materials, with open-tube flame expansion velocities from 500 to 1400 m/s depending on fuel/oxidizer ratio and tube diameter. Temperatures were observed to range from 3000 to 3500 K as measured with gray body fits to 16-channel time-resolved pyrometer and time-integrated spectrometer data. These values were significantly below calculated adiabatic flame temperatures, which we attribute to local deviations from stoichiometry and kinetic/energetic limitations similar to those observed in studies of particles burning in high pressures gaseous oxidizers. Al/N 2 O 4 reactivity was found to be most likely limited by the vaporization of the metal from the particle surface and Zr/N 2 O 4 was limited by slower burning and complex interactions involving the solubility of nitrogen and oxygen in the molten Zr. We also discuss the potential for these materials to be used to create an “on/off” reactive material, since N2O4 can be added remotely and driven to evaporate via vacuum or purge of inert gases to return it to a safe condition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measurement report: Extreme heat and wildfire emissions enhance volatile organic compounds in a temperate forest

Climate extremes are projected to cause unprecedented deviations in the emission and transformation of volatile organic compounds (VOCs), which trigger feedback mechanisms that will impact the atmospheric oxidation and formation of aerosols and clouds. However, the response of VOCs to future conditions such as extreme heat and wildfire events is still uncertain. This study explored the modification of the mixing ratio and distribution of several anthropogenic and biogenic VOCs in a temperate oak–hickory–juniper forest as a response to increased temperature and transported biomass burning plumes. A chemical ionization mass spectrometer was deployed on a tower at a height of 32 m in rural central Missouri, United States, for the continuous and in situ measurement of VOCs from June to August of 2023. The maximum observed temperature in the region was 38 °C, and during multiple episodes the temperature remained above 32 °C for several hours. Biogenic VOCs such as isoprene and monoterpene followed closely the temperature daily profile but at varying rates, whereas anthropogenic VOCs were insensitive to elevated temperature. During the measurement period, wildfire emissions were transported to the site and substantially increased the mixing ratios of acetonitrile and benzene, which are produced from burning of biomass. An in-depth analysis of the mass spectra revealed more than 250 minor compounds, such as formamide and methylglyoxal. Extreme heat and presence of wildfire plumes modified the overall volatility, reactivity, O : C, and H : C ratios of the extended list of VOCs. The calculated OH reactivities during extreme temperature condition and transport of biomass burning plumes were 106.37±4.27 and 106.22±5.15 s −1 , respectively, which are substantially higher than background level of 98.78±1.16 s −1 . Multivariate analysis also clustered the compounds into five factors, which highlighted the sources of the unaccounted-for VOCs. Ultimately, results here underscore the effect of extreme heat and wildfire emissions on the overall chemical properties VOC in a temperate forest.

Salvador, Christian Mark [Oak Ridge National Labor↗
DOE OSTI2024

Reactivity of net-zero carbon alcohol fuels and their corresponding aldehyde intermediates on PGM-based commercial oxidation catalysts for lean-burn emissions control

Alcohol net-zero carbon fuels will play a significant role in decarbonization of the hard-to-electrify transportation sectors. However, the combustion process in alcohol-fueled engines generate toxic aldehydes. For commercialization of net-zero carbon fuels on engines, compliance with the stringent U.S. EPA regulations is necessary. Here, this contribution focuses on reactivity of alcohols and aldehydes on commercial diesel oxidation catalysts (DOC) to inform selection of future net-zero carbon fuels. Alcohol (and aldehyde) light-off temperatures were measured on aged DOCs under full synthetic engine-exhaust conditions. Methanol was the most reactive, while ethanol completely oxidized at higher temperatures. Alcohols typically formed less reactive aldehyde intermediates. DRIFTS revealed strongly adsorbing surface formates and acetates during methanol and ethanol oxidation, respectively, resulting in inhibition effects. Preliminary alcohol oxidation mechanisms combining flow reactor and DRIFTS observations are presented. Aldehydes inhibited CO oxidation. Minimal N 2 O formation was observed for the alcohols investigated.

Alcohol oxidation↗
DOE OSTI2022

Path to Increasing p-B11 Reactivity via ps and ns Lasers

The Lawson criterion for proton-boron (p-11B) thermonuclear fusion is substantially higher than that for deuterium-tritium (DT) because the fusion cross section is lower and peaks at higher ion energies. The Maxwellian averaged p-11B reactivity peaks at several hundred keV, where bremsstrahlung radiation emission may dominate over fusion reactions if electrons and ions are in thermal equilibrium and the losses are unrestricted. Nonequilibrium burn has often been suggested to realize the benefits of this aneutronic reaction, but the predominance of elastic scattering over fusion reactivity makes this difficult to achieve. The development of ultrashort pulse lasers (USPL) has opened new possibilities for initiating nonequilibrium thermonuclear burns and significant numbers of p-11B alpha particles have been reported from several experiments. We present an analysis that shows that these significant alpha yields are the result of beam fusion reactions that do not scale to net energy gain. We further find that the yields can be explained by experimental parameters and recently updated cross sections such that a postulated avalanche mechanism is not required. We use this analysis to understand the underlying physics of USPL-driven nonequilibrium fusion reactions and whether they can be used to initiate fusion burns. We conclude by outlining a path to increasing the p-11B reactivity towards the goal of achieving ignition and describing the design principles that we will use to develop a computational point design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Plasma-assisted deflagration to detonation transition in a microchannel with fast-frame imaging and hybrid fs/ps coherent anti-Stokes Raman scattering measurements

Our study examines kinetic enhancement by nanosecond dielectric barrier discharge (ns-DBD) plasma on fuellean dimethyl ether (DME), oxygen (O 2 ), and argon (Ar) premixtures during deflagration to detonation transition (DDT) experiments in a microchannel. Non-equilibrium plasma produces active species and radicals and creates fast and slow heating of a mixture to promote ignition due to electronic and vibrational excitation. Experiments have been conducted to examine the influence of the plasma discharge on the premixture and on the resultant deflagration to detonation transition (DDT) onset time and distance through the use of high speed imaging and one-dimensional, two-beam, femtosecond/picosecond, coherent anti-Stokes Raman scattering (CARS). A highspeed camera is used to trace the time histories of flame front position and velocity and to identify the dynamics and onset of DDT. The results show that plasma discharge can nonlinearly affect the onset time and distance of DDT. It is shown that a small number of plasma discharge pulses prior to ignition result in reduced DDT onset time and distance by 60% and 40%, respectively, when compared to the results without pre-excitation by ns discharges. The results also show that an increase of plasma discharge pulses results in an extended DDT onset time and distance of 224% and 94%, respectively. Time history of the deflagration wave speed of DME and the analysis of ignition timescale under the choking condition of the deflagration front suggest low temperature ignition may play a role for DME near the isobaric choking condition of the burned gas and the DDT. Plasmainduced conversion of the reactive mixture was assessed via the O 2 to CO 2 ratio as measured through fs/ps CARS during the DBD discharges. The present experiments demonstrate the ability of non-equilibrium plasma to alter the chemistry of DME/O 2 /Ar premixtures in order to control DDT for applications in advanced propulsion engines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

100 kHz OH PLIF of High-Pressure H2/NH3 and H2/CH4 Flames

The reaction zones in a multi-element, multi-stage, micromix injector are investigated using planar laser-induced fluorescence (PLIF) imaging of the hydroxyl (OH) radical at a 100 kHz repetition rate. The combustor is operated at a pressure of ∼10 bar. Multiple fuel blends of hydrogen, methane, and ammonia are considered to study the effect of changing fuel composition on the flame structure. Compact regions of high OH signal are observed in each flame for fuel mixtures with high hydrogen content, indicating rapid reactant consumption in the shear layers. Instantaneous images exhibit wrinkled flame fronts and the formation of unreacted pockets due to highly turbulent burning. The addition of methane is observed to reduce the reactivity and flame speed, resulting in more diffuse regions of OH between each flame. The shape of the reactant core is altered, and the length scale of the flame surface wrinkling is increased. Ammonia addition has a more severe effect on the distribution of OH and the local flame structure than methane addition. A time series of images shows the presence of OH vortical structures and significant turbulent fluctuations in the flames near the wall, suggesting the presence of a recirculation zone that could drive the observed disparity in flame lengths.

Hodge, Alexander J. [Purdue University]↗
DOE OSTI2022

Detonation Wave Profile (update of LA-UR-15-29498-rev1)

The Zel’dovich-von Neumann-Doering (ZND) profile of a detonation wave is derived. Two basic material properties are required: i. An equation of state (EOS) for a partly burned explosive; P(V, e, λ). ii. A burn rate for the reaction progress variable; d/dtλ = R(V, e, λ). For a steady planar detonation wave the reactive flow PDEs can be reduced to ODEs. The detonation wave profile can be determined from an ODE plus algebraic equations for points on the partly burned detonation loci with a specified wave speed. Furthermore, for the CJ detonation speed, the end of the reaction zone is sonic. A solution to the reactive flow equations can be constructed with a rarefaction wave following the detonation wave profile. This corresponds to an underdriven detonation wave, and the rarefaction is know as a Taylor wave.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Theory of ignition and burn propagation in inertial fusion implosions

A detailed analytic model is presented here to investigate the physics of burn propagation in inertially confined plasmas. The onset of ignition and burn propagation occurs when alpha heating of the hot spot causes rapid ablation of shell mass into the hot spot. This allows large energy gains to be achieved since most of the fuel mass is located in the shell. Here, we first present a comprehensive review of previous analytic models that have been used to describe the physics of hot-spot evolution and ignition; we then show that a proper description of a propagating burn wave requires a comprehensive model of hot spot and shell evolution that includes proper mass conservation in the shell, fusion reactivity, and fuel depletion. The analytic theory is in good agreement with detailed radiation-hydrodynamic simulations that predict the onset of burn propagation as occurring when the yield enhancement caused by alpha heating is between 15- and 25-fold, $f_α$ ~ 1.4, where $f_α$ = alpha energy deposited/hot-spot energy at bang time, and the hot-spot burnup fraction is approximately 2%. We show that the definition of ignition is not sensitive to the alpha-particle stopping power nor asymmetries provided that the absorbed fraction of alpha particles $θ_α$ is correctly accounted for. Finally, we use the results of 2-D simulations to show that even when $θ_α$ is small and unknown (as is true in hot spots with mid modes that have significant leakage of alpha particles into the surrounding cold bubbles), one can still relate the experimentally measureable parameter $\chi^{53}_α$ to the yield amplification and the burning-plasma parameter $Q^{\text{hs}}_α$ = alpha energy deposited/total input work delivered to the hot spot

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Utilizing the deuterium-tritium fusion resonance to diagnose thermal runaway in igniting plasmas

For high-efficiency inertial confinement fusion implosions, it is predicted that a burning hot spot will successfully encompass all surrounding fuel and then transition into a thermal runaway where the internal energy increase from fusion occurs on a timescale faster than the expansion of the fuel is able to quench the fusion chain reaction after ignition occurs. Observation of this dynamic phase transition would indicate distinct burn properties and indicate an implosion's robustness. A technique for diagnosing the presence of thermal runaway from measurements of nuclear reaction history is presented. The technique is based on taking the logarithmic derivative of the nuclear reaction history, called the 𝛼 curve, and allowing a mathematical decoupling of the mass, volume, and thermal reactivity in the fusion reaction rate equation. During thermal runaway, where the thermal temperature dominates the burn dynamics, a maximum in the 𝛼 curve is found where there is a maximum in the first derivative of the thermal fusion reactivity, an effect to the deuterium-tritium (DT) fusion cross-section resonance. This provides a distinct signature related to the fundamental nature of the DT fusion nuclear resonance and signifies the transition into the fusion thermal instability. Impacts of charged particle transport on the effect are also assessed and the analytical formulas are compared and found to be in agreement with radiation hydrodynamic codes.

high-energy-density plasmas↗
DOE OSTI2021

Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest

Organic aerosol (OA) is a complex matrix of various constituents—fresh (primary organic aerosols—POA) and aged via oxidation (secondary organic aerosols—SOA), generated from biogenic, anthropogenic, and biomass burning sources. The viscosity of OA can be critical in influencing new particle formation, reactive uptake processes that impact evaporation-growth kinetics, and the lifetime of particles in the atmosphere. We report this work utilizes a well-defined relationship between volatility and viscosity for pure compounds, which we incorporated within the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to simulate the phase state and viscosity of bulk OA during the dry-to-wet transition season (September–October) in the Amazon rainforest during 2014. Our simulations indicate spatial and temporal heterogeneity in aerosol phase state often not captured by global-scale models. We show the strong role of water associated with organic aerosol ($w_s$) as the dominant factor that can be used to quantitatively estimate OA viscosity. Analysis of WRF-Chem simulations across the entire atmospheric column indicates a strong inverse log-linear relationship between $w_s$ and OA viscosity with a correlation coefficient approaching 1, in the background and biomass burning-influenced conditions. At high altitudes where relative humidity (RH) and temperatures are low, our simulations indicate that OA exists in a semisolid-/solid-like phase state, consistent with previous studies. OA hygroscopicity is strongly correlated (ca. –0.8) with OA viscosity at RH ca. 30–50%, but this RH range is found mostly at low OA concentrations and the middle troposphere (ca. 6–10 km altitudes) in our simulated domain. OA hygroscopicity is uncorrelated with viscosity at higher-RH (near surface) and lower-RH (upper troposphere) regimes. At the urban site near surface, where day–night differences in RH are significant, RH is found to drive the phase state. At the background forested site near surface, where day–night RH differences are small, biomass burning-influenced OA is semisolid and a significant OA associated with background conditions is liquid-like. Simulations indicate a long tail of OA viscosity frequency distributions extending in the semisolid/solid regimes over background biogenic-influenced conditions due to the role of low-volatility OA components such as monoterpene oxidation products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Evidence for suprathermal ion distribution in burning plasmas

At the National Ignition Facility, inertial confinement fusion experiments aim to burn and ignite a hydrogen plasma to generate a net source of energy through the fusion of deuterium and tritium ions. The energy deposited by α-particles released from the deuterium–tritium fusion reaction plays the central role in heating the fuel to achieve a sustained thermonuclear burn. In the hydrodynamic picture, α-heating increases the temperature of the plasma, leading to increased reactivity because the mean ion kinetic energy increases. Therefore, the ion temperature is related to the mean ion kinetic energy. In this report we use the moments of the neutron spectrum to study the relationship between the ion temperature (measured by the variance in the neutron kinetic energy spectrum) and the ion mean kinetic energy (measured by the shift in the mean neutron energy). We observe a departure from the relationship expected for plasmas where the ion relative kinetic energy distribution is Maxwell–Boltzmann, when the plasma begins to burn. Understanding the cause of this departure from hydrodynamic behaviour could be important for achieving robust and reproducible ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗
DOE OSTI2021

Upgrade of the Materials Analysis Particle Probe (MAPP-U) to decipher the impact of lithium-based surfaces on NSTX-U plasma behavior

Understanding the plasma wall interaction (PWI) remains a critical issue for the feasibility of thermonuclear magnetic fusion energy solutions. Key issues with PWI mechanisms in fusion tokamak reactors include: evolution of surface chemistry and its role on hydrogen retention. In particular how low-Z coatings such as lithium can impact the behavior of plasma at the edge and in the core. PMI (plasma-material interactions) are particularly important for strategies that involve low-recycling regimes and the use of lithium PFS (plasma-facing surfaces) to attain them, as in the case of NSTX-U. Recent reports have indicated the importance of access to the evolving plasma-facing surface during and in-between plasma discharges. Changes in surface chemistry and morphology due to ion bombardment and the difficulty of diagnosing plasma-facing surfaces, especially reactive surfaces, complicate the development of a predictive understanding of the wall and its interaction with the plasma. Consequently, this impairs the ability to design advanced PFC materials for future plasma-burning fusion reactors and appropriate PMI code validation. The Materials Analysis Particle Probe (MAPP) is an established and on-going PMI probe diagnostic system compatible with the highly chemically reactive system of lithium and boron coatings adopted by the NSTX-U research program. MAPP is the first PMI diagnostic to capture the surface physics and chemistry in-vacuo in a fusion tokamak system and correlate this data to controlled plasma shots. Currently MAPP captures this information at a fixed radial location at the NSTX-U outboard divertor region. The MAPP diagnostic has enabled understanding of the near-surface and surface chemistry of complex evolving lithiated and borated carbon-based PFC surfaces retention and transport of hydrogen. Coupled to atomistic simulations in collaboration with P. Krstic of Stony Brook U. MAPP has been very successful in achieving high-impact scientific research in its current grant period evidenced by two invited review articles and over 20 peer-reviewed manuscripts and over 40 contributed and invited presentations at both national and international conferences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A Fully Explicit Integrator for Modeling Astrophysical Reactive Flows

Simulating complex astrophysical reacting flows is computationally expensive—reactions are stiff and typically require implicit integration methods. The reaction update is often the most expensive part of a simulation, which motivates the exploration of more economical methods. In this research note, we investigate how the explicit Runge–Kutta–Chebyshev (RKC) method performs compared to an implicit method when applied to astrophysical reactive flows. These integrators are applied to simulations of X-ray bursts arising from unstable thermonuclear burning of accreted fuel on the surface of neutron stars. We show that the RKC method performs with similar accuracy to our traditional implicit integrator, but is more computationally efficient when run on CPUs.

GPU computing↗