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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetanyl peroxy radicals

2,4,dimethyloxetane is an important cyclic ether intermediate that is produced from hydroperoxyalkyl (QOOH) radicals in the low-temperature combustion of n-pentane. However, the reaction mechanisms and rates of consumption pathways remain unclear. In the present work, the pressure- and temperature-dependent kinetics of seven cyclic ether peroxy radicals, which stem from 2,4,dimethyloxetane via H-abstraction and O 2 addition, were determined. The automated kinetic workflow code, KinBot, was used to model the complexity of the chemistry in a stereochemically resolved manner and solve the resulting master equations from 300–1000 K and from 0.01–100 atm. The main conclusions from the calculations include (i) diastereomeric cyclic ether peroxy radicals show significantly different reactivities, (ii) the stereochemistry of the peroxy radical determines which QOOH isomerization steps are possible, (iii) conventional QOOH decomposition pathways, such as cyclic ether formation and HO 2 elimination, compete with ring-opening reactions, which primarily produce OH radicals, the outcome of which is sensitive to stereochemistry. Ring-opening reactions lead to unique products, such as unsaturated, acyclic peroxy radicals, that form direct connections with species present in other chemical kinetics mechanisms through "cross-over" reactions that may complicate the interpretation of experimental results from combustion of n-pentane and, by extension, other alkanes. For example, one cross-over reaction involving 1-hydroperoxy-4-pentanone-2-yl produces 2-(hydroperoxymethyl)-3-butanone-1-yl, which is an iso-pentane-derived ketohydroperoxide (KHP). At atmospheric pressure, the rate of chemical reactions of all seven peroxy radicals compete with that of collisional stabilization, resulting in well-skipping reactions. However, at 100 atm, only one out of seven peroxy radicals undergoes significant well-skipping reactions. Here, the rates produced from the master equation calculations provide the first foundation for the development of detailed sub-mechanisms for cyclic ether intermediates. In addition, analysis of the complex reaction mechanisms of 2,4-dimethyloxetane-derived peroxy radicals provides insights into the effects of stereoisomers on reaction pathways and product yields.

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

Predicting third-body collision efficiencies for water and other polyatomic baths

Low-pressure-limit microcanonical (collisional activation) and thermal rate constants are predicted using a combination of automated ab initio potential energy surface construction, classical trajectories, transition state theory, and a detailed energy- and angular-momentum-resolved collision kernel. Several systems are considered, including CH 4 (+M) and HO 2 (+M), with an emphasis on systems where experimental information is available for comparison. The a priori approach involves no adjustable parameters, and we show that the predicted thermal rate constants are in excellent agreement with experiments, with average deviations of less than 25%. Notably, the a priori approach is shown to perform equally well for atomic, diatomic, and polyatomic baths, including M = H 2 O, CO 2 , and “fuel” baths like M = CH 4 and NH 3 . Additionally, the utility of microcanonical rate constants for interpreting trends and inferring mechanistic details in the thermal kinetics is demonstrated.

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

Spiers Memorial Lecture: Theory of unimolecular reactions

One hundred years ago, at an earlier Faraday Discussion meeting, Lindemann presented a mechanism that provides the foundation for contemplating the pressure dependence of unimolecular reactions. Since that time, our ability to model and predict the kinetics of such reactions has grown in leaps and bounds through the synergy of ever more sophisticated experimental studies with increasingly high level theoretical analyses. Herein, this review begins with a brief historical overview of the progress from the Lindemann mechanism to the master equation, which now provides the cornerstone for most theoretical analyses. The current status of ab initio transition state theory based implementations of the master equation is then reviewed, beginning with a discussion of the energy resolved chemical conversion rates, followed by a review of the pressure dependence of the thermal kinetics. The latter discussion focusses on the collisional energy and angular momentum transfer rates as well as the complexities of non-thermal effects and of multiple-well multiple-channel reactions. The synergy with recent state-of-the-art experiments is used to motivate these discussions. Attempts to automate the calculations are also briefly reviewed. Throughout the discussion, we provide our perspective on current understanding and continuing challenges and opportunities. One key challenge relates to the coupling of sequences of reactions, which frequently leads to deviations from the classic presumption of thermal reactants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Elucidating the chemical dynamics of the elementary reactions of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with 2-methylpropene ((CH 3 ) 2 CCH 2 ; X 1 A 1 )

Exploiting the crossed molecular beam technique, we studied the reaction of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with 2-methylpropene (isobutylene; (CH 3 ) 2 CCH 2 ; X 1 A 1 ) at a collision energy of 38 ± 3 kJ mol –1 . The experimental results along with ab initio and statistical calculations revealed that the reaction has no entrance barrier and proceeds via indirect scattering dynamics involving C 7 H 11 intermediates with lifetimes longer than their rotation period(s). The reaction is initiated by the addition of the 1-propynyl radical with its radical center to the π-electron density at the C1 and/or C2 position in 2-methylpropene. Further, the C 7 H 11 intermediate formed from the C1 addition either emits atomic hydrogen or undergoes isomerization via [1,2-H] shift from the CH 3 or CH 2 group prior to atomic hydrogen loss preferentially leading to 1,2,4-trimethylvinylacetylene (2-methylhex-2-en-4-yne) as the dominant product. The molecular structures of the collisional complexes promote hydrogen atom loss channels. RRKM results show that hydrogen elimination channels dominate in this reaction, with a branching ratio exceeding 70%. Since the reaction of the 1-propynyl radical with 2-methylpropene has no entrance barrier, is exoergic, and all transition states involved are located below the energy of the separated reactants, bimolecular collisions are feasible to form trimethylsubstituted 1,3-enyne (p1) via a single collision event even at temperatures as low as 10 K prevailing in cold molecular clouds such as G+0.693. As a result, the formation of trimethylsubstituted vinylacetylene could serve as the starting point of fundamental molecular mass growth processes leading to di- and trimethylsubstituted naphthalenes via the HAVA mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Detection of Br and I as atomic anions using liquid sampling – atmospheric pressure glow discharge/Orbitrap mass spectrometry

The quantification and determination of halogen isotope composition is essential in many fields including geochemistry and nuclear forensics. Detection of the halogen elements is commonly attempted with inductively coupled plasma mass spectrometry (ICP-MS) however, there are multiple challenges faced. Most significantly this includes very poor ionization efficiency and the potential for isobaric interferences from either matrix or plasma species. Thus, sensitivity and accuracy are often limiting issues. Here a liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source is coupled with an ultrahigh resolution Orbitrap MS to perform halogen detection of bromine and iodine as initial analytes. This facilitates simple and sensitive detection of these elements as atomic anions from simple aqueous salt solutions. Collision-induced dissociation (CID) and higher-energy collisional dissociation (HCD) energies were optimized to produce the maximum response of Br − and I − . The LS-APGD conditions were optimized using a design of experiments (DOE) approach for Br − and I − concurrently. Response curves for Br − and I − solutions determined limit of detection (LOD) values of 50 pg and 5 pg, respectively, in 20 μL aliquots. The curves indicated response factors of 0.67 for 79 Br − and 0.90 for 127 I − . Br isotope ratios were determined with precision between 0.7 and 7.3% RSD, with the isotope ratios determined with precision 0.8% RSD at concentrations above the limit of quantification. Preliminary tests were conducted to evaluate the effect of different cations (Na + , K + , and Mg 2+ ) on Br − responses, with no discernible impacts observed on the halogen signal responses. This study demonstrates the potential use of the LS-APGD-Orbitrap-MS for the detection of multiple halogens while avoiding interferences, minimizing sample preparation, and overcoming ionization barriers.

Lang, Dehlia A. [Clemson University, SC (United St↗
DOE OSTI2025

From the laboratory to space: unveiling isomeric diversity of C 5 H 2 in the reaction of tricarbon (C 3 , X 1 Σ g + ) with the vinyl radical (C 2 H 3 , X 2 A′)

By connecting laboratory dynamics with cosmic observables, this work highlights the critical role of reactions between highly reactive species in shaping the molecular inventory of the interstellar medium and opens new windows into the spectroscopically elusive corners of astrochemical complexity. The gas phase formation of distinct C 5 H 2 isomers is explored through the bimolecular reaction of tricarbon (C 3 , X 1 Σ + g ) with the vinyl radical (C 2 H 3 , X 2 A′) at a collision energy of 44 ± 1 kJ mol −1 employing the crossed molecular beam technique augmented by electronic structure and Rice–Ramsperger–Kassel–Marcus (RRKM) calculations. This barrierless and exoergic reaction follows indirect dynamics and is initiated by the addition of tricarbon to the radical center of the vinyl radical forming a Cs symmetric doublet collisional complex (CCCCHCH 2 ). Subsequent low-barrier isomerization steps culminate in the resonantly stabilized 2,4-pentadiynyl-1 radical (CHCCCCH 2 ), which decomposes via atomic hydrogen loss. Statistical calculations identify linear, triplet pentadiynylidene (p2, X 3 Σ − g ) as the dominant product, while singlet carbenes ethynylcyclopropenylidene (p1, X 1 A′), pentatetraenylidene (p3, X 1 A 1 ), and ethynylpropadienylidene (p4, X 1 A′) are formed with lower branching ratios. The least stable isomer, 2-cyclopropen-1-ylidenethenylidene (‘eiffelene’; p5, X 1 A 1 ), remains thermodynamically feasible, but exhibits negligible branching ratios. Two isomers detected in TMC-1 to date (p1 and p3) possess significant dipole moments making them amenable to radio telescopic observations, whereas linear pentadiynylidene (p2; D ∞h ) is only traceable via infrared spectroscopy or through its cyanopentadiynylidene derivative (HCCCCCCN). This study highlights the isomer diversity accessed in the low temperature hydrocarbon chemistry of barrierless and exoergic bimolecular reactions involving two unstable, reactants in cold molecular clouds.

Medvedkov, Iakov A. [University of Hawai'i at Mano↗
DOE OSTI2020

CF + excitation in the interstellar medium

The detection of CF + in interstellar clouds potentially allows astronomers to infer the elemental fluorine abundance and the ionization fraction in ultraviolet-illuminated molecular gas. Because local thermodynamic equilibrium (LTE) conditions are hardly fulfilled in the interstellar medium (ISM), the accurate determination of the CF + abundance requires one to model its non-LTE excitation via both radiative and collisional processes. Here, we report quantum calculations of rate coefficients for the rotational excitation of CF + in collisions with para- and ortho-H 2 (for temperatures up to 150 K). As an application, we present non-LTE excitation models that reveal population inversion in physical conditions typical of ISM photodissociation regions (PDRs). We successfully applied these models to fit the CF + emission lines previously observed toward the Orion Bar and Horsehead PDRs. The radiative transfer models achieved with these new rate coefficients allow the use of CF + as a powerful probe to study molecular clouds exposed to strong stellar radiation fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H 2 O + H 2 O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H 2 O in a broad range of temperatures. It is found that all state-to-state transitions in the H 2 O + H 2 O system split into two well-defined groups, one with higher cross-section values and lower energy transfer, which corresponds to the dipole-dipole driven processes. The other group has smaller cross sections and higher energy transfer, driven by higher-order interaction terms. We present a detailed analysis of the theoretical error bars, and we symmetrized the state-to-state transition matrixes to ensure that excitation and quenching processes for each transition satisfy the principle of microscopic reversibility. We also compare our results with other data available from the literature for H 2 O + H 2 O collisions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Rotational state-to-state transition rate coefficients for H 2 O + H 2 O collisions at nonequilibrium conditions

Aims.The goal is to develop a database of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions that is suitable for the modeling of energy transfer in nonequilibrium conditions, in which the distribution of rotational states of H 2 O deviates from local thermodynamic equilibrium. Methods.A two-temperature model was employed that assumed that although there is no equilibrium between all possible degrees of freedom in the system, the translational and rotational degrees of freedom can be expected to achieve their own equilibria independently, and that they can be approximately characterized by Boltzmann distributions at two different temperatures,T kin andT rot . Results.Upon introducing our new parameterization of the collisional rates, taking into account their dependence on bothT kin andT rot , we find a change of up to 20% in the H 2 O rotational level populations for both ortho and para-H 2 O for the part of the cometary coma where the nonequilibrium regime occurs.

Astronomy & Astrophysics↗
DOE OSTI2025

Galaxy cluster matter profiles - I. Self-similarity, mass calibration, and observable-mass relation validation employing cluster mass posteriors

We present a study of the weak lensing inferred matter profiles ΔΣ(R) of 698 South Pole Telescope (SPT) thermal Sunyaev-Zel’dovich effect (tSZE) selected and MCMF optically confirmed galaxy clusters in the redshift range 0.25 < z < 0.94 that have associated weak gravitational lensing shear profiles from the Dark Energy Survey (DES). Rescaling these profiles to account for the mass dependent size and the redshift dependent density produces average rescaled matter profiles ΔΣ(R/R200c)/(ρcritR200c) with a lower dispersion than the unscaled ΔΣ(R) versions, indicating a significant degree of self-similarity. Galaxy clusters from hydrodynamical simulations also exhibit matter profiles that suggest a high degree of self-similarity, with RMS variation among the average rescaled matter profiles with redshift and mass falling by a factor of approximately six and 23, respectively, compared to the unscaled average matter profiles. We employed this regularity in a new Bayesian method for weak lensing mass calibration that employs the so-called cluster mass posterior P(M200|ζ̂, λ̂, z), which describes the individual cluster masses given their tSZE (ζ̂) and optical (λ̂, z) observables. This method enables simultaneous constraints on richness λ-mass and tSZE detection significance ζ-mass relations using average rescaled cluster matter profiles. We validated the method using realistic mock datasets and present observable-mass relation constraints for the SPT×DES sample, where we constrained the amplitude, mass trend, redshift trend, and intrinsic scatter. Our observable-mass relation results are in agreement with the mass calibration derived from the recent cosmological analysis of the SPT×DES data based on a cluster-by-cluster lensing calibration. Our new mass calibration technique offers a higher efficiency when compared to the single cluster calibration technique. We present new validation tests of the observable-mass relation that indicate the underlying power-law form and scatter are adequate to describe the real cluster sample but that also suggest a redshift variation in the intrinsic scatter of the λ-mass relation may offer a better description. In addition, the average rescaled matter profiles offer high signal-to-noise ratio (S/N) constraints on the shape of real cluster matter profiles, which are in good agreement with available hydrodynamical ΛCDM simulations. This high S/N profile contains information about baryon feedback, the collisional nature of dark matter, and potential deviations from general relativity.Key words: gravitational lensing: weak / galaxies: clusters: general / large-scale structure of Universe

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Power coupled to the slow wave resonance cone in cold plasma

We consider the power coupled to the plasma from a cylindrical source emitting resonance cones, propagative slow waves which exist in low density magnetized plasmas when the signs of the Stix parameters S and P differ. In this work, we calculate this power for the first time for any collisionality, and show that it remains finite in the cold collisionless limit, even as the radiofrequency electric field itself, and the associated power absorption density, is singular. We give the main parameter dependencies of the coupled power.

Tierens, Wouter [ORNL] (ORCID:0000000269798140)↗
DOE OSTI2020

Characterization of an imploding cylindrical plasma for electron transport studies using x-ray emission spectroscopy

We report here on the characterization of the conditions of an imploding cylindrical plasma by time-resolved x-ray emission spectroscopy. Knowledge about this implosion platform can be applied to studies of particle transport for inertial confinement fusion schemes or to astrophysical plasmas. A cylindrical Cl-doped CH foam within a tube of solid CH was irradiated by 36 beams (I total ~5×10 14 W/cm 2 , 1.5ns square pulse, and E total ~ 16.2kJ) of the OMEGA-60 laser to radially compress the CH toward the axis. The analysis of the time-resolved spectra showed that the compression can be described by four distinct phases, each presenting different plasma conditions. First the ablation of the cylinder is dominant; second, the foam is heated and induces a significant jump in emission intensities; third, the temperature and density of the foam reaches a maximum; and finally, the plasma expands. Ranges for the plasma temperature were inferred with the atomic physics code SCRAM (Spectroscopic Collisional-Radiative Atomic Model) and the experimental data have been compared to hydrodynamic simulations performed with the 2D code FLASH, which showed a similar implosion dynamic over time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Experimental characterization of a section of a spherically imploding plasma liner formed by merging hypersonic plasma jets

In this work, we report experimental results on merging of hypersonic plasma jets, which is the fundamental building block for forming spherically imploding plasma liners as a potential standoff compression driver for magneto-inertial fusion. Jets are formed and launched by contoured-gap coaxial plasma guns mounted at the six vertices and the center of a hexagon covering approximately one-tenth of the surface area of a 9-ft-diameter spherical chamber. First, from experiments with two and three merging jets of four different species (N, Ar, Kr, and Xe), we show that (1) density spatial non-uniformities can be large (with electron-density jumps ranging from 2.9 for N to 6.6 for Xe) when shocks form upon jet merging, but smaller (density jumps <2) when shocks do not form; (2) jet impurities (20% Ti in these experiments) can increase the level of density spatial non-uniformity by increasing the collisionality of jet merging, leading to shock formation rather than potentially more desirable shockless jet merging; and (3) the liner Mach number can remain high (≳10), as required for plasma liners to be an effective compression driver. Secondly, from experiments with six and seven merging jets using Ar, we present results with improved jet-to-jet mass balance of <2% across jets, including (1) evidence of substantially increased balance in the jet merging and symmetry of the liner structure and (2) potentially favorable changes in the jet-merging morphology with the addition of the seventh jet. Ultimately, for both experiments, we present comparisons between experimental and synthetic data from three-dimensional hydrodynamic codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Local measurements of the spatial magnetic field distribution in a z-pinch plasma during and near stagnation using polarization spectroscopy

We present here the detailed measurements of radial distribution of the magnetic field in a gas-puff z-pinch plasma at the final stages of the implosion phase and at stagnation. While the measurements are chordal, the radial distribution of different charge states was utilized to measure the magnetic field locally for certain radii, so that unlike chordal measurements in general, the magnetic field radial distribution was obtained with no need for the Abel inversion of the data. The distribution was measured using the Zeeman effect via a novel spectroscopic technique, at several axial locations, and demonstrates striking features such as the peak field remaining at a radius much larger than the stagnation radius at all times. Furthermore, while the distribution observed is sometimes monotonic with respect to the radius, it is often not, a behavior that can be linked to 2D features in the plasma column resulting from the Rayleigh–Taylor instability. The current flowing through the stagnating plasma was found to be a small fraction of the total current, resulting in clearly insufficient magnetic pressure to balance the plasma pressure at stagnation. The magnetic field data, taken over several axial positions, are used to obtain the true inductance in the imploding plasma for the first time; it is found that the data cannot explain the current turnover at stagnation. A simulation with the MACH2-Tabular Collisional-Radiative Equilibrium magnetohydrodynamics code in the r–z plane shows that the peak of the magnetic field pinches to a much smaller radius than is observed in the spectroscopic data. Furthermore, the depth of the computed current turnover at stagnation is smaller than the measured one. The two observed features of a radially extended magnetic field at stagnation together with a deep current turnover are a challenge to match in simulations. Various calculations and estimates of the inductive and resistive load voltages are examined to ascertain if they are responsible for the observed current notch. Lastly, the results demonstrate that the knowledge of the true inductance in the driven load requires such magnetic-field-distribution measurements and that imaging data or electrical measurements are insufficient.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Perpendicular magnetofluid theory for magnetically confined plasmas in the collisionless limit

Note that the magnetically confined plasmas in thermonuclear fusion turn to be collisionless. Some particles are trapped by the inhomogeneous equilibrium field or by the waves, while some others keep circulating. One cannot expect the charged particles to be collectively localized in space by collisions along the magnetic field lines. Consequently, the fluid parameters relating to the parallel motion, such as parallel fluid velocity, become inadequate. In this paper, the perpendic- ular magnetofluid theory for magnetically confined plasmas in the collisionless limit is developed. It revises Braginskii’s transport theory by releasing the collisional dominance assumption. In the perpendicular direction, the particle spatial localization is solo resulted from the strong magnetic field, while the finite Larmor radius (FLR) effects are taken into account in the next order. In the parallel direction, the particle mobility feature is fully retained by constructing only the per- pendicular moments. Therefore, besides the FLR effects till order O($k$ $^{2}_{⊥}$ $ρ$ $^{2}_{i}$ ), the Landau damping, the trapped particle effects, and other parallel kinetic effects are all kept in the current formalism. Here, k ⊥ is the perpendicular wave number and ρ i is the ion Larmor radius. Here, the theory can be used both for the analytical and numerical studies of magnetically confined plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

High-resolution infrared spectroscopy of jet cooled CH 2 Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling

Direct laser absorption of a slit supersonic discharge expansion provides the first high-resolution spectroscopic results on the symmetric CH stretch excitation (ν 1 ) of the bromomethyl (CH 2 Br) radical in the ground electronic state. Narrowband (<1 MHz) mid-infrared radiation is produced by difference-frequency generation of two visible laser beams, with the open shell halohydrocarbon radical generated by electron dissociative attachment of CH 2 Br 2 in a discharge and rapidly cooled to T rot = 18 ± 1 K in the subsequent slit-jet supersonic expansion. A rovibrational structure in the radical spectrum is fully resolved, as well as additional splittings due to spin-rotation effects and 79 Br/ 81 Br isotopologues in natural abundance. Spectroscopic constants and band origins are determined by fitting the transition frequencies to a non-rigid Watson Hamiltonian, yielding results consistent with a vibrationally averaged planar radical and an unpaired electron in the out-of-plane p π orbital. Additionally, extensive satellite band structure from a vibrational hot band is observed and analyzed. The hot band data is compared to CFOUR/VPT2 (CCSD(T)cc-pVQZ) ab initio anharmonic predictions of the vibration rotation alpha matrix, which permits unambiguous assignment to CH 2 symmetric-stretch excitation built on the singly excited CH 2 out-of-plane bending mode (ν 1 + ν 4 ← ν 4 ). Longitudinal cooling of the Doppler width in the slit-jet expansion geometry also reveals partially resolved hyperfine structure on transitions out of the lowest angular momentum states in excellent agreement with predictions based on microwave studies. High level ab initio MOLPRO calculations [CCSD(T)-f12b/VnZ-f12 (n = 3, 4, CBS)] are also performed with explicitly correlated f12 electron methods for the out-of-plane CH 2 bending mode over the halogen series CH 2 X (X = F, Cl, Br, I), which clearly reveals a non-planar geometry for X = F (with a ΔE ≈ 0.3 kcal/mol barrier) and yet planar equilibrium geometries for X = Cl, Br, and I. Finally, a detailed Boltzmann analysis of the transition intensities provides support for negligible collisional equilibration of the entangled H atom nuclear spin states on the few hundred microsecond time scale and high collision densities of a slit supersonic expansion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Impact of a minority relativistic electron tail interacting with a thermal plasma containing high-atomic-number impurities

A minority relativistic electron component can arise in both laboratory and naturally-occurring plasmas. In the presence of high-atomic-number ion species, the ion charge state distribution at low bulk electron temperature can be dominated by relativistic electrons, even though their density is orders of magnitude lower. This is due to the relativistic enhancement of the collisional excitation and ionization cross sections. The resulting charge state effect can dramatically impact the radiative power loss rate and the related Bethe stopping power of relativistic electrons in a dilute plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Kinetic simulations of anomalous resistivity in high-temperature current carrying plasmas

Anomalous resistivity caused by lower hybrid drift instabilities (LHDIs) has been extensively studied in the literature, and has been invoked to explain the rates of magnetic diffusion and plasma profile evolution in the low-density plasma periphery of theta and screw pinch plasmas. In this article, we present a fully kinetic simulation study of LHDIs with a realistic mass ratio using the particle-in-cell code Chicago over a large range of drift speeds, 0.5 < v$^{2}_{di}$/v$^{2}_{ti}$ < 14.5, plasma β, β ≥ 2×10 –5 , and temperature ratios, 0.1 < T e /T i < 10. The resistivity quantified from the simulations is compared with the analytic estimates from the literature and a generalized resistivity expression is presented, which can be applied over the entire range of plasma environments that were simulated in this study. This expression uses the amplitude of the LHDI fluctuations resulting from instability saturation by electron resonance broadening rather than plateau formation, current relaxation, or ion trapping. The generalized resistivity expression is appropriate for full-scale fluid simulations that encounter a large range of plasma conditions, and has better agreement with the resistivity quantified from kinetic simulations than previous expressions in the literature, particularly at low plasma β. Anomalous resistivity has also been considered as an explanation of the rapid magnetic field dissipation during magnetic reconnection events at large plasma β. At a large β, the magnetic field fluctuations of LHDIs can dominate the electrostatic fluctuations and this article investigates enhanced collisionality due to the nonlinear magnetic force, δJ×δB/c.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗