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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A machine learning model for predicting the minimum miscibility pressure of CO 2 and crude oil system based on a support vector machine algorithm approach

CO 2 enhanced oil recovery (EOR) is a potential way for carbon capture, utilization and storage (CCUS). Though, the effect of CO 2 injection is greatly influenced by the reservoir conditions. Typically, Minimum miscible pressure (MMP) is selected as one of the key parameters for the screening and evaluation of prospective CO 2 flooding. Conventional slim tube test is both accurate and widely accepted but it is inefficient. Existing empirical formulas for MMPs are easy to be used but have been proved inaccurate and unreliable. Machine learning-based methods have great advantages in predicting MMP. However, only predication accuracy is discussed for most models without the screening of the main control factors and further validation of the model reliability. In this paper, a new prediction model based on support vector machine (SVM) was developed for pure/impure CO 2 and crude oil system. This study was based on 147 sets of MMP data from the literature with full information on reservoir temperature, oil composition and gas composition. The main control factors were screened by several statistical methods. Unlike the conventional prediction models that verified by only prediction accuracy, learning curve and single factor control variable analysis are further validated to obtain the optimum model.

02 PETROLEUM↗
DOE OSTI2020

Numerical study on spray collapse process of ECN spray G injector under flash boiling conditions

This work features a numerical study of the spray collapse process that occurs under flash-boiling, gasoline-direct-injection conditions. The Engine Combustion Network's Spray G injector was modeled, and iso-octane, n-hexane, and propane were used as fuels with the goal to investigate fuel property effects. The development of individual jets and jet-to-jet interaction were analyzed to reveal the physical mechanisms of spray collapse. The results agreed qualitatively well with the experimental data of propane available from the literature and the predictions revealed the model's ability to capture the near-nozzle shock structures witnessed in the experiments. Simulations showed that the flow development of flashing sprays was strongly tied with the fuel properties. Specifically, under-expanded jets were not observed with iso-octane due to the fuel's low vapor pressure. In the case of n-hexane, the jets were under-expanded, and a low-pressure core was observed inside the jets due to the flow expansion. With propane, the very strong expansion caused the flow to become transonic and generate a unique shock structure near the nozzle exit. The shock structure revealed the formation of primary shock cells within the jets and secondary shock cells induced by jet-to-jet interaction. Based on the results, the spray collapse under flash boiling conditions was mainly attributed to two effects, i.e., the decrease in pressure at the spray center induced by the low-pressure cores inside and between the jets, and the isolation effect due to the jet-to-jet interaction which contributed to maintain the pressure differential between the spray center and the ambient.

42 ENGINEERING↗
DOE OSTI2022

Numerical Simulations in Support of a Long-Term Test of Gas Production from Hydrate Accumulations on the Alaska North Slope: Reservoir Response to Interruptions of Production (Shut-Ins)

In this work, we investigate by means of numerical simulation a planned year-long field test of depressurization-induced production from a permafrost-associated hydrate reservoir on the Alaska North Slope at the site of the recently drilled Hydrate-01 Stratigraphic Test Well. The main objective of this study is to assess quantitatively the impact of temporary interruptions (well shut-ins) on the expected fluid production performance from the B1 Sand of the stratigraphic Unit B during controlled depressurization over different time scales, as well as on other relevant aspects of the system response that have the potential to significantly affect the design of the field test. We consider eight different cases of depressurization, including (a) rapid depressurization over a 60-day period to a terminal bottomhole pressure P W of 2.8 MPa and (b) a slower depressurization rate to a final P W of 0.6 MPa at the end of the year-long production test, in addition to (c) a multi-step depressurization regime and (d) a quasi-linear continuous depressurization strategy. The results of the study indicate that shut-ins obviously reduce gas release and production during and immediately after their occurrence, but their longer-term effects are strongly dependent on the depressurization regime and on the time of observation, covering the entire range of potential outcomes. Shut-ins (a) have a universally strong negative effect when quasi-linear depressurization is involved regardless of the length of the production period, and (b) have a strong positive effect in multi-step depressurization schemes that becomes apparent earlier for large initial pressure drops, but (c) can also appear to have practically no effect for slow stepwise depressurization at the end of the year-long production test. Shut-ins lead to a rapid reformation of hydrates, even to the point of disappearance of a free gas phase in the reservoir. Rapid depressurization regimes lead to early maximum rates of hydrate dissociation and gas production, while the maximum rates occur at the end of the production test for the cases of slower depressurization. Shut-ins do not appear to have a significant impact on water production, as the cessation of production is followed by higher rates production when depressurization resumes. Similarly, (a) the fraction of produced CH 4 originating from exsolution from the water, (b) the water-to-gas ratio, and (c) the rate of replenishment of produced water by boundary inflows do not appear significantly affected by shut-ins, the effects of which seem to be temporary in the majority of the cases. The study confirmed the superiority of multi-step depressurization methods as the most effective strategies for hydrate dissociation and gas production and showed that two observation wells (located at distances of 30 and 50 m from the production well) are appropriately positioned and both able to capture the P, T, and S G behavior during the fluid production and shut-ins in any of the eight cases we investigated.

03 NATURAL GAS↗
DOE OSTI2024

Superconductivity in CH 4 and BH – 4 containing compounds derived from the high-pressure superhydrides

Inspired by the synthesis of the high-pressure Fm3m LaH 10 superconducting superhydride, systematic density functional theory (DFT) calculations are performed to study ternaries that could be derived from it by replacing two of the hydrogen atoms with boron or carbon and varying the identity of the electropositive element. Though many of the resulting alkali-metal and alkaline-earth MC 2 H 8 phases are predicted to be dynamically stable at mild pressures, their superconducting critical temperatures (T c s) are low because their metallicity results from the filling of an electride-like band. Substitution with a trivalent element leads to phases with substantial metal d- character at the Fermi level whose T c s are typically above 40 K. Here, among the MB 2 H 8 phases examined, KB 2 H 8 , RbB 2 H 8 and CsB 2 H 8 are predicted to be dynamically stable at very mild pressures, and their stability is rationalized by a DFT-Chemical Pressure analysis that elucidates the role of the M atom size. Quantum anharmonic effects strongly affect the properties of KB 2 H 8 , the highest predicted T c compound, near 10 GPa, but molecular dynamics simulations reveal it would decompose below its T c at this pressure. Nonetheless, at ca. 50 GPa KB 2 H 8 is predicted to be thermally stable with a superconducting figure of merit surpassing that of the recently synthesized LaBeH 8 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Numerical Investigation of Two-Stage Vapor Compression System with Simultaneous Vapor and Liquid Injection

Two-stage vapor compression systems can be advantageous over single-stage systems by providing improved system performance, lower discharge temperature and reduced throttling losses. These systems employ various intermediate configurations, such as liquid injection and vapor injection. This paper presents a configuration for a R1234ze(E) two-stage air-conditioning system using a turbo compressor with two injection ports, one for vapor injection and the second for liquid injection. The liquid injection is used to cool the motor and electronics. A component-based representation and solution approach was used to simulate the two-stage compression system with simultaneous vapor and liquid injection at steady state. The turbo compressor was represented using a customized performance map. The condenser and the evaporator were modeled using finite-volume approach. A parametric study was conducted to assess the impact of the following three variables on the system performance: vapor injection ratio, condenser air flow rate, and discharge pipe pressure drop. The simulation results show that as the vapor injection ratio increased, the system performance undergoes a tradeoff between an enhanced subcooling effect (and thus enhanced unit refrigeration capacity) and a decreased suction mass flow rate. Maximum COP occurs when the vapor injection ratio was 0.1. The results also show that as the condenser air flow rate increased, both the capacity and power consumption (including fan power) increased monotonically, and COP increased first and then decreased. At 75% load, the COP improvement at the optimum flow rate was marginally less than 0.5%. Lastly, higher discharge pipe pressure drop increased the discharge pressure. It showed very small effect on the overall system performance at the condition selected for the current study.

component-based steady-state simulation↗
DOE OSTI2022

Comparative techno-economic assessment of osmotically-assisted reverse osmosis and batch-operated vacuum-air-gap membrane distillation for high-salinity water desalination

New developments in pressure- and thermally driven membrane desalination technologies offer the potential to cost-effectively treat high-salinity waters, especially when powered by low-cost solar electricity and thermal energy. This paper presents a comparative techno-economic assessment of the state-of-the-art most promising pressure- and thermally driven membrane technologies for high recovery desalination, namely, osmotically-assisted reverse osmosis (OARO) and batch-operated vacuum-air-gap membrane distillation (batch V-AGMD), to produce potable water while concentrating brine within the range of 140–290 g/L TDS for minimum-liquid-discharge (MLD) and zero-liquid-discharge (ZLD) applications. It is shown that both OARO and batch V-AGMD can treat feedwater and brines with TDS in the range of 30–125 g/L with corresponding fresh water recovery rates of 85–25%. When low cost solar electricity and thermal energy are used, the resulting levelized cost of water (LCOW) from OARO is in the range of 0.70–6.28 $/m 3 , and that from batch-V-AGMD is in the range of 1.74–2.77 $/m 3 . OARO is more cost-effective than batch V-AGMD when feedwater salinity is below 70 g/L and recovery below 75%, whereas batch V-AGMD is more cost-effective at higher recovery rates and salinity levels. Finally, the sensitivity of this comparison on energy prices and module costs is discussed.

42 ENGINEERING↗
DOE OSTI2025

Investigation of N 2 /O 2 plasma interaction with Pt-catalyst: effect of metastable adsorbates on product hysteresis

The coupling of catalysts and atmospheric-pressure plasma has the potential to improve the efficiency of certain catalytic reactions. Understanding the changes that the catalyst surface undergoes during exposure to plasma is key to improving plasma–catalytic performance. In this work, long term exposure of Pt–Al 2 O 3 powder catalyst to an Ar/N 2 /O 2 non-equilibrium atmospheric-pressure plasma-jet was investigated. Products produced by the interaction were analyzed downstream with Fourier-transform infrared spectroscopy while surface species were analyzed operandi with diffuse reflectance infrared Fourier transform spectroscopy. During exposure, the catalyst temperature was ramped cyclically between 100 °C and 350 °C to understand how substrate temperature affects the plasma–catalyst interaction. Long-lasting changes were revealed to take place on the catalyst surface during plasma exposure. At low temperatures, Pt–O and Pt–NO accumulate on the surface which react at elevated temperatures to form NO 2 . NO 2 initially appears to spill on to the Al 2 O 3 support as nitrites and nitrates instead of desorbing. Stable surface conditions are only achieved after prolonged plasma exposure, when nitrate sites on the Al 2 O 3 support are filled. By changing the catalyst temperature at various rates, the impact of total plasma species flux to the surface was analyzed. It was found that decreasing the heating rate increased the hysteresis in the pattern of NO 2 formation during thermal cycling. The variation with temperature demonstrates that plasma exposure results in a buildup of surface NO x and oxygen species which react or desorb at high temperatures. The observed changes are discussed from the generic viewpoint that a non-equilibrium plasma interacting with a catalyst at low temperature introduces metastable steady-state surface conditions. Upon heating above a threshold temperature, the introduced surface modifications can change either due to thermal effects, or, for a plasma environment, by additional interaction with the incident plasma species flux. The surface/material changes take place in a highly predictable fashion and after sufficient time above the threshold temperature reach a steady-state condition that is different from the transient behavior that is observed during initial heating. During cooling the plasma-surface interaction exhibits a different behavior than during heating, and this results in hysteresis of diverse observables. The metastability/hysteresis description appears quite generic and analogous to hysteresis behavior seen for different systems. Furthermore, it is expected to be useful for understanding the consequences of plasma–catalyst surface interactions for various systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Understanding the depletion of electrons in dusty plasmas at atmospheric pressure

The nucleation and growth of NPs in the gas phase using atmospheric-pressure plasma systems is an important approach to synthesizing novel dimensionally-controlled materials. In this paper, we investigated the effect of the NPs on a typical type of continuous-flow, substrate-free plasma at atmospheric pressure to understand their potential contribution to electron density changes. A tandem plasma system was set up consisting of one plasma reactor that produced carbonaceous NPs from mixtures of argon and hexane, and another identical plasma reactor where the as-grown particles were injected and non-intrusive electrical and optical measurements were performed. The electron densities obtained from conductivity measurements and a plasma fluid model were found to decrease in the presence of NPs. However, control experiments revealed that the main source of the electron depletion was residual vapor or reaction byproducts in the form of molecular species or nanoclusters and not the particles themselves. These results were validated by constant number Monte Carlo simulations which showed that at the experimentally-measured conditions, the NPs were not of sufficiently high enough concentration to reduce the electron density; however, if molecules or clusters are ionizable, they remain in sufficient concentration to deplete electron densities. Our study shows that at atmospheric pressure, because of their typically larger electron density values, particle-producing plasmas are distinct from those at low pressure, and nanoparticle formation does not have the same impact while molecular-scale species may be a more important consideration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Efficient Mesofluidic Separation of Large Particles in nuclear slurries - 20408

Efficient and effective particle separation is essential to cleanup of many nuclear wastes. For example, particle separation may be used to accelerate settle-decant bottlenecks that limit the throughput necessary to achieve the U.S. Department of Energy waste cleanup mission in a timely manner. Particle separation may be used to protect downstream processing equipment from pulses of solids that may be encountered near (within a few feet of) liquid-solid interfaces during waste transfer operations, thereby preventing work stoppages. Effective particle separation may permit efficient sludge washing. These are only a few of the ways in which particle separation is important. Yet, efficient and effective particle separation in nuclear processing environments remains challenging. For example, settle-decant operations permit larger and heavier particles to settle, leaving smaller, lighter particles suspended. However, settle-decant operations are slow, convection currents may resuspend solids, hindered settling of multicomponent slurries remains incompletely understood, and predictive models for settling in graduated cylinders fail to match limited observations of settling in large waste tanks. Additionally, pumping operations can cause turbulent resuspension of particles when the pump intake is close to the settled solids layer. Filtration techniques that use membranes or partially permeable barriers retain larger particles, permitting smaller particles to permeate. However, filters, including dead-end filtration, are prone to clogging and caking, operate at elevated pressures due to minimal void volume, and increase in pressure during operations, which require more control systems. Therefore, the need for high throughput particle separation techniques that operate with modest pressure drops persists. A novel mesofluidic separator presents the opportunity to effectively and efficiently accelerate the waste cleanup mission. The separator separates large particles from process streams across a broad range of particle sizes and has no moving parts or media to replace, regenerate, or clean. This separator design has an unusually large void volume, permitting operation at much higher flow rates (and lower pressures) than traditional filtration (e.g., dead-end filtration). Industrial-scale flow rates have been demonstrated. In performance testing, mesofluidic separators operate at might flow rates (>90 gpm (0.0006 m{sup 3}/s) in piping 3 inches (0.08 m) in diameter; Re>10{sup 5}), with modest pressure drop (∼25 psi (170 KPa) in testing). In complex, aggregating waste simulants, the separator loses <25% of flow projected over months without back pulsing or chemical cleaning. Mesofluidic separation presents infrastructure advantages, reduces risk, and provides mission impact. Infrastructure advantages include implementation within existing transfer systems, plug and play without facility modifications to safety systems, and operation at low pressures. The separator is flexible in location, may be positioned within or outside of waste tanks, and may replace or augment dead-end and cross-flow filters. Mesofluidic separation reduces risk by minimizing waste (no media to replace or regenerate and no cleaning chemicals to handle and dispose) and by minimizing filter change-out consistent with as low as reasonably achievable (ALARA) exposure to workers. The potential mission impact of these separators is substantial. The separator has potential to support, simplify, and accelerate in-farm transfers and waste feed delivery. Furthermore, the separator can free up settling and holding tanks in the Direct Feed Low-Activity Waste (DFLAW) mission by reducing or eliminating post-transfer settling and wait times with the potential to free up 1 Mgal (4000 m{sup 3}) of double-shell tank space. This paper quantitatively compares mesofluidic separation to dead-end filtration, discusses scale-up results, and considers the separator's potential to efficiently and effectively reduce the long-term environmental ability of particulate-rich nuclear wastes. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Pressure Evolution of Ultrafast Photocarrier Dynamics and Electron–Phonon Coupling in FeTe 0.5 Se 0.5

Understanding the coupling between electrons and phonons in iron chalcogenides FeTe x Se 1–x has remained a critical but arduous project in recent decades. The direct observation of the electron–phonon coupling effect through electron dynamics and vibrational properties has been lacking. Here, we report the first pressure-dependent ultrafast photocarrier dynamics and Raman scattering studies on an iron chalcogenide FeTe 0.5 Se 0.5 to explore the interaction between electrons and phonons in this unconventional superconductor. The lifetime of the excited electrons evidently decreases as the pressure increases from 0 to 2.2 GPa, and then increases with further compression. The vibrational properties of the A 1g phonon mode exhibit similar behavior, with a pronounced frequency reduction appearing at approximately 2.3 GPa. The dual evidence reveals the enhanced electron–phonon coupling strength with pressure in FeTe 0.5 Se 0.5 . Our results give an insight into the role of the electron–phonon coupling effect in iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Assessment of Grizzly Capabilities for Reactor Pressure Vessels and Reinforced Concrete Structures

Over the last several years, capabilities to simulate the progression and effects of degradation in critical structures in light water reactor (LWR) nuclear power plants have been under development in the Grizzly code. Age-related material degradation is important for a number of systems in LWRs, but the main focus for Grizzly development has been on reactor pressure vessels (RPVs) and concrete structures because of their central role and the difficulty of replacement of these structures if they are found to be degraded to an unacceptable degree. The capabilities for analyzing both RPVs and concrete structures in Grizzly have reached a point where the feature sets are sufficiently complete to perform credible analyses of those types of structures. Because of this, the emphasis has shifted from foundational development to assessing the accuracy of these modeling capabilities on representative problems of interest and on improving the physical basis of those models to improve their ability to predict the actual response of those structural systems. This report documents a first set of test cases that have been developed to assess the Grizzly code on real-world problems for these two types of structures. For RPVs, these test cases consist of a set of benchmark problems where Grizzly is compared to another code. For concrete structures, a set of models of experimental specimens designed to characterize the multidimensional swelling response of reinforced concrete members due to alkali-silica reaction (ASR) has been developed and compared with experimental results. Both the RPV and concrete test cases developed here are much more computationally intensive than the small regression tests that are used in the testing that Grizzly undergoes every time a proposed set of changes is made to ensure that those changes do not adversely affect previously established behavior. A system for regularly running these large problems to monitor the behavior of the code as it is developed has been instituted. While these test cases generally indicate good comparison with the benchmark results, they also indicate areas where further development is warranted.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Mechanistic modeling of CO 2 well leakage in a generic abandoned well through a bridge plug cement-casing gap

Both known and unmapped plugged and abandoned wells are potential leakage pathways for CO 2 from geologic carbon sequestration (GCS) sites. Although many abandoned wells have cement bridge plugs installed to prevent leakage, the seal between the cement and the inner casing wall is subject to failure. In this study, we carried out detailed T2Well simulations of cases of sudden non-Darcy flow of CO 2 and brine leakage up the gap between a cement plug and the inner steel casing wall that becomes a fully connected flow path during the post-injection period. The goal of our study was two-fold: (1) to understand the dynamics, rates, and the characteristic temporal signals associated with the onset of leakage through various gap-aperture sizes, and (2) to suggest potential monitoring strategies based on the findings. Simulation results show that the leakage of CO 2 and brine upward is transient with interesting phase interference behavior. Time-dependent oscillatory flows with varying pressure, temperature, and flow rates of CO 2 and brine show strong dependence on gap aperture. Phase-change and decompression lead to very low temperatures at the top of the well for gap apertures larger than 4 mm suggesting that remote thermal monitoring at the ground surface may be an effective way of monitoring even if well locations are not known a priori. Pressure in the well is also indicative of CO 2 leakage. The temporal patterns of changing temperature and pressure may be useful diagnostic signals for leakage detection. Finally, these transient leakage signals may provide information on the cause of leakage and/or characteristics of the flow path that could inform effective remediation design and execution approaches.

58 GEOSCIENCES↗
DOE OSTI2020

Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen

Diamond anvil cell techniques have been improved to allow access to the multimegabar ultrahigh-pressure region for exploring novel phenomena in condensed matter. However, the only way to determine crystal structures of materials above 100 GPa, namely, X-ray diffraction (XRD), especially for low Z materials, remains nontrivial in the ultrahigh-pressure region, even with the availability of brilliant synchrotron X-ray sources. In this work,we perform a systematic study, choosing hydrogen (the lowest X-ray scatterer) as the subject, to understand how to better perform XRD measurements of low Z materials at multimegabar pressures. The techniques that we have developed have been proved to be effective in measuring the crystal structure of solid hydrogen up to 254 GPa at room temperature [C. Ji et al.,Nature 573, 558–562 (2019)]. We present our discoveries and experiences with regard to several aspects of this work, namely, diamond anvil selection, sample configuration for ultrahigh-pressure XRD studies,XRD diagnostics for low Z materials, and related issues in data interpretation and pressure calibration.We believe that these methods can be readily extended to other low Z materials and can pave the way for studying the crystal structure of hydrogen at higher pressures, eventually testing structural models of metallic hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impacts of caking on corn stover – An assessment of moisture content and consolidating pressure

Caking or time consolidation of powders is a serious problem which can hinder productivity and overall feasibility of various industrial processes. Here this study focuses on the impacts moisture content and consolidating pressures can have on 2 mm corn stover samples after undergoing a drying treatment at different times. Individually, moisture content and consolidating pressure did not exhibit any significant changes throughout the modified variable flow rate tests using the FT4 powder rheometer. However, applying both variables simultaneously yielded higher-than-usual energy outputs from the corn stover, indicative of biomass agglomeration due to the moisture and its subsequent evaporation while under pressure via the induced consolidating pressure. However, despite the increase in energy usage, time dried did not have a direct effect and demonstrated no trend.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Comments on “Failure analysis of corroded hydrogen-blended natural gas pipelines based on finite element analysis and genetic algorithm-back propagation neural network” [262 (2025) 111174]

This is a brief commentary paper to highlight and discuss the determination of hydrogen concentration in pipeline steel, effect of hydrogen embrittlement (HE) on the mechanical properties of the material, burst strength of corroded pipelines using finite element analysis (FEA) simulations, and curve-fit models for assessing remaining strength of X80 corroded pipelines for transporting hydrogen blended natural gas. Recently, Xie et al. [1] proposed a methodology to quantify the impact of HE on material properties and numerically determined burst pressure of X80 corroded pipelines. However, their HE quantification overestimated the degradation of tensile strength for hydrogen blending ratios beyond the original data range, and their FEA results of burst pressure are nonconservative. This work thus recharacterized the hydrogen concentration in the steel pipeline and the effect of HE on tensile strength, and then redetermined burst pressures for a set of typical corrosion defect cases considered by Xie et al. [1] based on an experimentally validated FEA modelling method. With the new FEA results, two empirical corrosion models were proposed for X80 corroded pipelines for hydrogen service. At zero hydrogen blending ratio, the novel empirical models predict burst pressures to be consistent with the industry-accepted corrosion models. Furthermore, both the numerical simulation method and the novel corrosion models are significant contributions to the pipeline industry and the hydrogen community. Application of these results will enhance the safety, reliability, and integrity of natural gas pipelines when used to transport hydrogen.

Burst pressure prediction↗
DOE OSTI2023

Influence of strong Coulomb coupling on diffusion in atmospheric pressure plasmas

Ion diffusion in atmospheric pressure plasmas is examined and particular attention is paid to the fact that ion–ion interactions can be influenced by strong Coulomb coupling. Three regimes are identified. At low ionization fractions (x i ≲ 10 —6 ), standard weakly correlated ion-neutral interactions set the diffusion rate. At moderate ionization fractions (10 —6 ≲ x i ≲ 10 —2 ) there is a transition from ion-neutral to ion–ion collisions setting the diffusion rate. In this regime, the effect of strong Coulomb coupling in ion–ion collisions is accounted for by applying the mean force kinetic theory. Since both ion-neutral and ion–ion interactions contribute a comparable amount to the total diffusion rate, models (such as particle-in-cell or fluid) must account for both contributions. At high ionization fractions (x i ≳ 10 —2 ), strongly correlated ion–ion collisions dominate and the plasma is heated substantially by a disorder-induced heating (DIH) process associated with strong correlations. The temperature increase due to DIH strongly influences the ion diffusion rate. This effect becomes even more important, and occurs at lower ionization fractions, as the pressure increases above atmospheric pressure. In addition to ion diffusion, DIH affects the neutral gas temperature, therefore influencing the neutral diffusion rate. Model predictions are tested using molecular dynamics simulations, which included a Monte Carlo collision routine to simulate the effect of ion-neutral collisions at the lowest ionization fractions. The model and simulations show good agreement over a broad range of ionization fractions. Importantly, the results provide a model for ion diffusion, on a wide range of ionization fractions and pressures, solely considering the elastic contribution to the diffusion coefficient—as an illustration of how strong Coulomb coupling influences diffusion processes in general.

fast neutral gas heating↗
DOE OSTI2020

Kinetic Simulations of Radiative Magnetic Reconnection in the Coronae of Accreting Black Holes

We perform 2D and 3D particle-in-cell simulations of reconnection in magnetically dominated e ± plasmas subject to strong Compton cooling. Magnetic reconnection under such conditions can operate in accretion disk coronae around black holes, which produce hard X-rays through Comptonization. Our simulations show that most of the plasma in the reconnection layer is kept cold by Compton losses and locked in magnetically dominated plasmoids with a small thermal pressure. Compton drag clears cavities inside plasmoids and also affects their bulk motions. These effects, however, weakly change the reconnection rate and the plasmoid size distribution from those in nonradiative reconnection. This demonstrates that the reconnection dynamics is governed by similar magnetic stresses in both cases and weakly affected by thermal pressure. We examine the energy distribution of particles energized by radiative reconnection and observe two distinct components: (1) A mildly relativistic peak, which results from bulk motions of cooled plasmoids. This component receives most of the dissipated reconnection power and dominates the output X-ray emission. The peak has a quasi-Maxwellian shape with an effective temperature of ~100 keV. Thus, it mimics thermal Comptonization used previously to fit hard-state spectra of accreting black holes. (2) A high-energy tail, which receives ~20% of the dissipated reconnection power. It is populated by particles accelerated impulsively at X-points or "picked up" by fast outflows from X-points. The high-energy particles immediately cool, and their inverse Compton emission explains the MeV spectral tail detected in the hard state of Cyg X-1. Our first-principle simulations support magnetic reconnection as a mechanism powering hard X-ray emission from magnetically dominated regions of accreting black holes.

79 ASTRONOMY AND ASTROPHYSICS↗