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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Verification of the PERSENT Software

Ongoing commercial design activities require a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system and substantial work has been done to verify its accuracy on several identified commercial needs. This manuscript details the verification work done on PERSENT which relies upon the DIF3D code for its forward and adjoint flux solution. Previous work identified the PERSENT features required to be verified to support commercial design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying PERSENT’s ability to correctly calculate four key quantities: perturbation worth distributions, kinetics parameters, sensitivity coefficients, and cross section uncertainty quantification. This manuscript provides the verification tasks and their results with respect to these quantities needed for commercial design activities. For the perturbation worth distributions, hand calculations are deployed to verify the PERSENT calculated results. Similarly, hand calculation of the PERSENT computed kinetics parameters is also used to verify the PERSENT results. In both of these, the input to PERSENT is manipulated to ensure the hand calculation exactly matches the equations PERSENT is calculating. The sensitivity coefficients involve calculating the derivatives of a parameter (such as reactivity worth), with respect to the cross section data. Direct finite difference calculations with DIF3D are used to verify the PERSENT calculated results. For the uncertainty quantification, manufactured input to PERSENT is used to allow an exact hand calculation to reproduce the PERSENT calculated results. The work detailed in this report verified that significant issues were identified for earlier versions of PERSENT for sensitivity coefficients which were corrected in this work and thus version 12.1.0 of PERSENT must be used to reproduce all of the verified work in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Kinetic Landau-fluid closures of non-Maxwellian distributions

New kinetic Landau-fluid closures, based on the cutoff Maxwellian distribution, are derived. A special static case is considered (the frequency ω=0). In the strongly collisional regime, our model reduces to Braginskii's heat flux model, and the transport is local. In the weak collisional regime, our model indicates that the heat flux is non-local and recovers the Hammett–Perkins model while the value of the cutoff velocity approaches to infinity. We compare the thermal transport coefficient χ of Maxwellian, cutoff Maxwellian and super-Gaussian distribution. The results show that the reduction of the high-speed tail particles leads to the corresponding reduction of the thermal transport coefficient χ across the entire range of collisionality, more reduction of the free streaming transport toward the weak collisional regime. In the collisionless limit, χ approaches to zero for the cutoff Maxwellian and the super-Gaussian distribution but remains finite for Maxwellian distribution. χ is complex if the cutoff Maxwellian distribution is asymmetric. The Im(χ) approaches to different convergent values in both collisionless and strongly collisional limit, respectively. It yields an additional streaming heat flux in comparison with the symmetric cutoff Maxwellian distribution. Furthermore, due to the asymmetric distribution, there is a background heat flux q0 though there is no perturbation. Furthermore, the derived Landau-fluid closures are general for fluid moment models, and applicable for the cutoff Maxwellian distribution in an open magnetic field line region, such as the scape-off-layer of Tokamak plasmas, in the thermal quench plasmas during a tokamak disruption, and the super-Gaussian electron distribution function due to inverse bremsstrahlung heating in laser-plasma studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Venus exospheric structure - The role of solar radiation pressure

The existence of a 'hot' population of hydrogen atoms in the Venus exosphere is well known. In the outer coronal region where it is dominant, r greater than about 2.0 R(V) (Venus radii), hydrogen atoms are also subject to a relatively strong radiation pressure exerted by resonant scattering of solar Lyman-alpha photons. Collisionless models illustrating the consequent structure are discussed, with the nonthermal population mimicked by a dual Maxwellian exobase kinetic distribution. In these models, a considerable fraction of the 'hot' atoms outside 2.0 R(V) belongs to the quasi-satellite component, this fraction exceeding 1/2 for r values between about 4.0 and 10.0 R(V). Solar ionization of bound atoms occurs mainly outside the ionopause, yielding a partial escape flux greater than about 2,000,000/sq cm per sec over the dayside exobase for assumed solar conditions. The inclusion of a cold exobase prescribed by Pioneer Venus observations has little influence on the outer region (in particular, the quasi-satellite component is unaltered) except that the transition to 'hot' kinetic character occurs closer to the exobase on the nightside due to the colder main exobase temperatures there.

Bishop, James↗
DOE OSTI2022

Conservative DG method for the micro-macro decomposition of the Vlasov–Poisson–Lenard–Bernstein model

The micro-macro (mM) decomposition approach is considered for the numerical solution of the Vlasov– Poisson–Lenard–Bernstein (VPLB) system, which is relevant for plasma physics applications. In the mM approach, the kinetic distribution function is decomposed as $f$ = $\mathscr{E}$[$ρ_f$] + g , where $\mathscr{E}$ is a local equilibrium distribution, depending on the macroscopic moments $ρ_f$ = $∫_{\mathbb{R}}$ $efdv$ = $\langle$$ef$$\rangle$$_{\mathbb{R}}$, where e = (1, $v$, $\frac{1}{2}$ $v^2$) T , and $g$, the microscopic distribution, is defined such that $\langle$$eg$$\rangle$$_{\mathbb{R}}$ = 0. We aim to design numerical methods for the mM decomposition of the VPLB system, which consists of coupled equations for $ρ_f$ and $g$. To this end, we use the discontinuous Galerkin (DG) method for phase-space discretization, and implicit-explicit (IMEX) time integration, where the phase-space advection terms are integrated explicitly and the collision operator is integrated implicitly. We give special consideration to ensure that the resulting mM method maintains the $\langle$$eg$$\rangle$$_{\mathbb{R}}$ = 0 constraint, which may be necessary for obtaining (i) satisfactory results in the collision dominated regime with coarse velocity resolution, and (ii) unambiguous conservation properties. The constraint-preserving property is achieved through a consistent discretization of the equations governing the micro and macro components. Here, we present numerical results that demonstrate the performance of the mM method. The mM method is also compared against a corresponding DG-IMEX method solving directly for $f$.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1977

Numerical investigation of turbulence models for shock separated boundary-layer flows

Numerical solutions of the Navier-Stokes equations for shock separated turbulent boundary-layer flows are presented. Several turbulence models are investigated and assessed by their ability to predict the physical phenomena associated with two extensively documented experiments. The experimental flows consist of shock-wave boundary-layer interactions in axisymmetric internal and external geometries at Mach numbers of 1.5 and 7, respectively. Algebraic and one-equation eddy viscosity models are used to describe the Reynolds shear stress. Calculated values of skin friction, wall pressure distribution, kinetic energy of turbulence, and heat transfer are compared with measurements.

Viegas, J. R.↗
NASA NTRS1982

Global-scale weekly and monthly energetics during January and February 1979

Time averages of the latitudinal distribution of kinetic energy and terms of the kinetic energy equation are presented as depicted by analyses of the First GARP Global Experiment during the First Special Observing Period. It is found that the monthly averages exhibit peaks in the stationary wave energy at 30 degrees N and in the tropics, while global decompositions of the streamfunction and velocity potential in spherical harmonics are truncated at the fourth degree. The kinetic energy distribution of the associated wind field displays peaks in the tropics and northern mid-latitudes in January, but only a tropical peak in February. These analyses support the Eliassen-Palm relationship for latitudinal momentum and geopotential wave transport, particularly in the mid-latitudes. However, in the deep tropics, latitudinal convergence of the fully resolved stationary wave momentum transport accompanies latitudinal convergence of stationary wave geopotential flux in westerly flow.

Paegle, J.↗
NASA NTRS1987

Geocoronal structure. II - Inclusion of a magnetic dipolar plasmasphere

Calculations of exospheric quantities (hydrogen atom density, satellite atom fractional density, kinetic temperature, and escape flux) at locations along the earth-sun axis in the noon and midnight directions have been extended to incorporate a plasmasphere characterized by a dipolar shape and an empirical temperature profile. This interaction, evaluated with parameter values corresponding to low-to-moderate solar conditions, results in an increased density at outer geocoronal positions; the effect is not dramatic, though, and the resulting exosphere mimics the evaporative case closely, in spite of the control of trajectory parcel content by charge exchange collisions. A careful discussion of the handling of plasmaspheric charge exchange collisions and solar ionization is included, and the effect on the exospheric kinetic distribution is analyzed in terms of pertinent examples.

Bishop, James↗
DOE OSTI2022

Investigating Particle Size‐Dependent Redox Kinetics and Charge Distribution in Disordered Rocksalt Cathodes

Abstract Understanding how various redox activities evolve and distribute in disordered rocksalt oxides (DRX) can advance insights into manipulating materials properties for achieving stable, high‐energy batteries. Herein, the authors present how the reaction kinetics and spatial distribution of redox activities are governed by the particle size of DRX materials. The size‐dependent electrochemical performance is attributed to the distinct cationic and anionic reaction kinetics at different sizes, which can be tailored to achieve optimal capacity and stability. Overall, the local charged domains in DRX particles display random heterogeneity caused by the isotropic delithiation pathways. Owing to the kinetic limitation, the micron‐sized particles exhibit a holistic “core‐shell” charge distribution, whereas sub‐micron particles show more uniform redox reactions throughout the particles and ensembles. Sub‐micron DRX particles exhibit increasing anionic redox activities yet inferior cycling stability. In summary, engineering particle size can effectively modulate how cationic and anionic redox activities evolve and distribute in DRX materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Stochastic Modeling of the Joint Neutron Number-Cumulative Fission Fragment Kinetic Energy Deposition Distribution and its Statistical Moments [Slides]

We investigate the joint distribution of the neutron number and cumulative fission-fragment kinetic energy (FKE) deposition, with a specific focus on low-order statistical moments: the mean, variance, and correlation. Starting from a point-kinetic framework, we derive a forward Master equation (FME) for the joint distribution and develop the corresponding moment equations.

42 ENGINEERING↗
DOE OSTI2022

Laboratory Observations of Electron Heating and Non-Maxwellian Distributions at the Kinetic Scale during Electron-Only Magnetic Reconnection

Non-Maxwellian electron velocity distribution functions composed of a warm bulk population and a cold beam are directly measured during electron-only reconnection with a strong out-of-plane (guide) magnetic field in a laboratory plasma. Electron heating is localized to the separatrix, and the electron temperature increases continuously along the separatrix. The measured gain in enthalpy flux is 70% of the incoming Poynting flux. The electron beams are oppositely directed on either side of the X point, and their velocities are comparable to, and scale with, the electron Alfven speed. Particle-in-cell simulations are consistent with the measurements. Furthermore, the experimental results are consistent with, and go beyond, recent observations in the magnetosheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Generalized kinetic equation for tokamak plasma equilibrium distribution function

A generalised kinetic equation for the equilibrium distribution function in a finite beta, arbitrary tokamak plasma is derived. The equation is correct to second order in ρ/L (ρ is the particle Larmor radius and L is the system size). Resolving finite Larmor radius length scales with no restriction on the ratio of poloidal to total equilibrium magnetic field, B $\vartheta$ /B, it generalises the drift kinetic theory of [Hazeltine Phys. Plasmas 15 (1973) 77] to the limit of B $\vartheta$ /B ~ 1 (e.g. to ensure validity for spherical tokamaks). Two cases are considered. The first provides the equilibrium distribution function, consistent with the generalised gyrokinetic formalism of [Dudkovskaia et al. Plasma Phys. Control. Fusion 65 (2023) 045010], derived specifically to capture neoclassical equilibrium currents in gyrokinetic stability analyses in strong gradient regions. The second assumes short length scales in the direction perpendicular to the magnetic field, which can occur as a result of small coherent magnetic structures in the plasma, such as neoclassical tearing mode magnetic islands close to threshold. This then extends the drift island equations of [Dudkovskaia et al. Nucl. Fusion 63 (2023) 016020] for the plasma response to magnetic islands to a spherical tokamak plasma configuration. In conclusion, resolving ρ ~ ρ $\vartheta$ (or B $\vartheta$ ~ B), where ρ $\vartheta$ is the particle poloidal Larmor radius, is also expected to influence calculations of the magnetic island propagation frequency and the associated contributions to the island onset conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1996

Line Profile of H Lyman-Beta Emission from Dissociative Excitation of H2

A high-resolution ultraviolet spectrometer was employed for a measurement of the H Lyman-Beta(H L(sub Beta)) emission Doppler line profile at 1025.7 A from dissociative excitation of H2 by electron impact. Analysis of the deconvolved line profile reveals the existence of a narrow central peak, less than 30 mA full width at half maximum (FWHM), and a broad pedestal base about 260 mA FWHM. Analysis of the red wing of the line profile is complicated by a group of Wemer and Lyman rotational lines 160-220 mA from the line center. Analysis of the blue wing of the line profile gives the kinetic-energy distribution. There are two main kinetic-energy components to the H(3p) distribution: (1) a slow distribution with a peak value near 0 eV from singly excited states, and (2) a fast distribution with a peak contribution near 7 eV from doubly excited states. Using two different techniques, the absolute cross section of H L(sub Beta)p is found to be 3.2+/-.8 x 10(exp -19)sq cm at 100-eV electron impact energy. The experimental cross-section and line-profile results can be compared to previous studies of H(alpha) (6563.7 A) for principal quantum number n=3 and L(sub alpha)(1215.7 A) for n=2.

Ajello, Joseph M.↗
NASA NTRS1996

Fast Nitrogen Atoms from Dissociative Excitation of N2 by Electron Impact

The Doppler profiles of one of the fine structure lines of the N I (1200 A) g (sup 4)S(sup 0)-(sup 4)P multiplet and of the N II (1085 A) g (sup 3)p(sup O)-(sup 3)D multiplet have been measured. Excitation of the multiplets is produced by electron impact dissociative excitation of N2. The experimental line profiles are evaluated by fast Fourier transform (FFT) techniques and analysis of the profiles yields the kinetic energy distribution of fragments. The full width at half maximum (FWHM) of N I (1200 A) increases from 27+/-6 mA at 30 eV to 37+/-4 mA at 100 eV as the emission cross section of the dissociative ionization excitation process becomes more important relative to the dissociative excitation process. The FWHM of the N II (1085 A) line is 36+/-4 mA at 100 eV. For each multiplet the kinetic energy distribution function of each of the two fragment N atoms (ions) is much broader than thermal with a mean energy above 1.0 eV. The dissociation process with the largest cross section is predissociation and predominantly produces N atoms with kinetic energy distributions having mean energies above 0.5 eV. Dissociative processes can lead to a substantial escape flux of N I atoms from the satellites, Titan and Triton of the outer planets.

Ajello, Joseph M.↗
DOE OSTI2024

Convective and Orographic Origins of the Mesoscale Kinetic Energy Spectrum

The mesoscale spectrum describes the distribution of kinetic energy in the Earth's atmosphere between length scales of 10 and 400 km. Since the first observations, the origins of this spectrum have been controversial. At synoptic scales, the spectrum follows a –3 spectral slope, consistent with two-dimensional turbulence theory, but a shallower –5/3 slope was observed at the shorter mesoscales. The cause of the shallower slope remains obscure, illustrating our lack of understanding. Through a novel coarse-graining methodology, we are able to present a spatio-temporal climatology of the spectral slope. We find convection and orography have a shallowing effect and can quantify this using “conditioned spectra.” These are typical spectra for a meteorological condition, obtained by aggregating spectra where the condition holds. This allows the investigation of new relationships, such as that between energy flux and spectral slope. Potential future applications of our methodology include predictability research and model validation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Identification of local modes using modal mass distributions

An approach for local modal identification using a modal mass spatial distribution matrix is proposed. This modal mass matrix is obtained by overlay multiplying the modal matrix to the product of the mass and the modal matrices of the structure. Each column in the spatial modal mass matrix can be interpreted as a measure of the kinetic energy distribution over the physical degrees of freedom for the corresponding mode. Local modes are identified due to the highly concentrated kinetic energy distribution in the localized regions. This spatial modal mass approach is more sensitive than the modal amplitude ratio method, since kinetic energy is in the quadratic form of modal amplitudes. Numerical examples involving identification of local modes using the proposed modal mass spatial distribution matrix approach are presented and discussed.

Chou, Chaur-Ming↗
DOE OSTI2022

Similarity of the turbulent kinetic energy dissipation rate distribution in the upper mixed layer of the tropical Indian Ocean

Turbulence within the upper ocean mixed layer plays a key role in various physical, biological, and chemical processes. Between September and November 2011, a dataset of 570 vertical profiles of the turbulent kinetic energy (TKE) dissipation rate, as well as conventional hydrological and meteorological data, were collected in the upper layer of the tropical Indian Ocean. These data were used to statistically analyze the vertical distribution of the TKE dissipation rate in the mixed layer. The arithmetic-mean method made the statistical TKE dissipation rate profile more scattered than the median and geometric-mean methods. The statistical TKE dissipation rate were respectively scaled by the surface buoyancy flux and the TKE dissipation rate at the mixed-layer base. It was found that the TKE dissipation rate scaled by that at the mixed-layer base exhibited better similarity characteristics than that scaled by the surface buoyancy flux, whether the stability parameter D/|L MO | was greater or less than 10, indicating that the TKE dissipation rate at the mixed-layer base is a better characteristic scaling parameter for reflecting the intrinsic structure of the TKE dissipation rate in the mixed layer, where D and L MO are respectively the mixed-layer thickness and the Monin-Obukhov length scale. The parameterization of the TKE dissipation rate at the mixed-layer base on the shear-driven dissipation rate and the surface buoyancy flux was further explored. It was found that the TKE dissipation rate at the mixed-layer base could be well fitted by a linear combination of three terms: the wind-shear-driven dissipation rate, the surface buoyancy flux, and a simple nonlinear coupling term of these two.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Uniform secondary current distribution at disk electrodes under Tafel kinetics enabled by concentric current-shielding rings

Non-uniform secondary current distribution at rotating disk electrodes (RDE) is a common problem when using resistive electrolyte media or large applied currents. In a recent publication, we have shown that auxiliary electrodes such as the ring of a rotating ring disk electrode (RRDE) can help suppress current non-uniformities at the disk enabling reliable electroanalytical measurements. However, this previous work considered linear kinetics where current distribution non-uniformities were moderate. In the present contribution, we consider current distribution non-uniformities encountered under Tafel kinetics. We show, for the case of 2,5-dihydroxy-1,4-benzoquinone (DHBQ) reduction, that optimally chosen ring conditions serve to provide effective shielding at the disk edge rendering the overall disk current distribution to be uniform. Numerical modeling and scaling analysis (using the Wagner number) are presented to aid a user in determining the optimal ring current density for achieving uniform disk current distribution under Tafel kinetics. This approach is especially useful when studying soluble-soluble redox transitions for which, unlike deposit distribution in electrodeposition, the current distribution non-uniformity is not visually apparent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Excitation of the OI (3s 5S0-3p 5P; lambda 7774 A) multiplet by electron impact on O2

Electron impact on O2 has been employed to ascertain the absolute cross-section value and emission linewidths of the OI (3s 5S0-3p 5P; 7774 A) multiplet. The emission linewidths are highly Doppler-broadened in dissociative excitation, and display two distinct kinetic energy distributions: which indicate that both purely repulsive and discrete, bound, excited molecular states, which then predissociate, are involved in the dissociation process that leads to the excitation of OI 7774 A. The magnitude of the measured cross-section and the fragment kinetic energy distribution both indicate that the previous time-of-flight studies of the metastable OI (5S0) state require reinterpretation.

Erdman, P. W.↗