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At least 73 records · Page 4

Enforcing detailed balance in the Borgnakke–Larsen redistribution method with temperature dependent relaxation models

For decades, it has been observed that the commonly used Borgnakke–Larsen method for energy redistribution in Direct Simulation Monte Carlo codes fails to satisfy the principle of detailed balance when coupled to a wide variety of temperature dependent relaxation models, while seemingly satisfying detailed balance when coupled to others. Many attempts have been made to remedy the issue, yet much ambiguity remains, and no consensus appears in the literature regarding the root cause of the intermittent compatibility of the Borgnakke–Larsen method with temperature dependent relaxation models. This paper alleviates that ambiguity by presenting a rigorous theoretical derivation of the Borgnakke–Larsen method's requirement for satisfying detailed balance. Specifically, it is shown that the Borgnakke–Larsen method maintains detailed balance if and only if the probability of internal-energy exchange during a collision depends only on collision invariants (e.g., total energy). Here, the consequences of this result are explored in the context of several published definitions of relaxation temperature, including translational, total, and cell-averaged temperatures. Of particular note, it is shown that cell-averaged temperatures, which have been widely discussed in the literature as a way to ensure equilibrium is reached, also fail in a similar, although less dramatic, fashion when the aforementioned relationship is not enforced. The developed theory can be used when implementing existing or new relaxation models and will ensure that detailed balance is satisfied.

74 ATOMIC AND MOLECULAR PHYSICS↗

H2O heating in molecular clouds - Line transfer and thermal balance in a warm dusty medium

An investigation is undertaken into the possibility of the heating of molecular gas through collisions with radiatively pumped H2O, in the context of the overall thermal balance of optically thick molecular clouds with embedded sources. In order to solve the line transfer equation, which includes warm dust grains, an extended method of escape probability approximation is developed in which the equilibrium gas temperature arises from the balance of heating by cosmic ray ionization of H2, and by collisions with warm dust grains and radiatively pumped H2O molecules against cooling by collisions with CO and C I. The equilibrium gas temperature for a given dust temperature strongly depends on the efficiency of the cooling species, and is therefore most sensitive to the cloud optical depth. It is less dependent, in decreasing order, on H2O abundance, gas density, and velocity dispersion.

Takahashi, T.↗

Low-energy electron-atom bremsstrahlung

This paper extends recent work providing an elementary calculation of bremsstrahlung and opacity associated with the scattering of low-energy electrons by neutral atoms and molecules. The method applies when the scattering potential is 'hard' or when the collision time is short, applying the classical soft-photon emission probability formula for arbitrary bremsstrahlung photon energy. However, now, in addition to correcting the probability factor for finite bremsstrahlung photon energy, another factor corrects for the reduced phase space available to the outgoing electron. The bremsstrahlung cross section and opacity are then computed directly from the elastic scattering cross section, determined experimentally or calculated; a small (approximately 10 percent) correction is computed from the anisotropic term in the elastic scattering cross section. The opacity is evaluated for electron scattering by H, He, and H2 using experimentally determined values for the elastic scattering cross section, and is compared with more elaborate calculations. The agreement is good (within 10 percent), indicating an accuracy for the general method comparable to variations among the results of different elaborate theoretical computations. The agreement seems to validate the basic approximation of short collision time even at large bremsstrahlung photon energy for electron energies and temperatures up to a few eV.

Gould, R. J.↗

Earth Observing System Covariance Realism

The purpose of covariance realism is to properly size a primary object's covariance in order to add validity to the calculation of the probability of collision. The covariance realism technique in this paper consists of three parts: collection/calculation of definitive state estimates through orbit determination, calculation of covariance realism test statistics at each covariance propagation point, and proper assessment of those test statistics. An empirical cumulative distribution function (ECDF) Goodness-of-Fit (GOF) method is employed to determine if a covariance is properly sized by comparing the empirical distribution of Mahalanobis distance calculations to the hypothesized parent 3-DoF chi-squared distribution. To realistically size a covariance for collision probability calculations, this study uses a state noise compensation algorithm that adds process noise to the definitive epoch covariance to account for uncertainty in the force model. Process noise is added until the GOF tests pass a group significance level threshold. The results of this study indicate that when outliers attributed to persistently high or extreme levels of solar activity are removed, the aforementioned covariance realism compensation method produces a tuned covariance with up to 80 to 90% of the covariance propagation timespan passing (against a 60% minimum passing threshold) the GOF tests-a quite satisfactory and useful result.

Realism↗

Recommended Methods for Setting Mission Conjunction Analysis Hard Body Radii

For real-time conjunction assessment (CA) operations, computation of the Probability of Collision (P(sub c)) typically depends on the state vector, its covariance, and the combined hard body radius (HBR) of both the primary and secondary space-craft. However, most algorithmic approaches that compute the P(sub c) use generic conservatively valued HBRs that may tend to go beyond the physical limitations of both spacecraft, enough to drastically change the results of a conjunction assessment mitigation decision. On the other hand, if the attitude of the spacecraft is known and available, then a refined HBR can be obtained that could result in an improved and accurate numerically-computed P(sub c) value. The goal of this analysis is to demonstrate the various calculated P(sub c) values obtained based on a number of different HBR calculation techniques, oriented in the encounter or conjunction plane at the time of closest approach (TCA). Since in most conjunctions the secondary object is a debris object and thus orders of magnitude smaller than the primary, the greatest operational benefit is wrought by developing a better size estimate and representation for the primary object. We present an analysis that includes the attitude information of the primary object in the HBR calculation and assesses the resulting P(sub c) values for conjunction assessment decision making.

Mashiku, Alinda K.↗

Recommended Methods for Setting Mission Conjunction Analysis Hard Body Radii

For real-time conjunction assessment (CA) operations, computation of the Probability of Collision (P(sub c)) typically depends on the state vector, its covariance, and the combined hard body radius (HBR) of both the primary and secondary space-craft. However, most algorithmic approaches that compute the P(sub c) use generic conservatively valued HBRs that may tend to go beyond the physical limitations of both spacecraft, enough to drastically change the results of a conjunction assessment mitigation decision. On the other hand, if the attitude of the spacecraft is known and available, then a refined HBR can be obtained that could result in an improved and accurate numerically-computed P(sub c) value. The goal of this analysis is to demonstrate the various calculated P(sub c) values obtained based on a number of different HBR calculation techniques, oriented in the encounter or conjunction plane at the time of closest approach (TCA). Since in most conjunctions the secondary object is a debris object and thus orders of magnitude smaller than the primary, the greatest operational benefit is wrought by developing a better size estimate and representation for the primary object. We present an analysis that includes the attitude information of the primary object in the HBR calculation and assesses the resulting P(sub c) values for conjunction assessment decision making.

Mashiku, Alinda K.↗

Studies of uncontrolled air traffic patterns, phase 1

The general aviation air traffic flow patterns at uncontrolled airports are investigated and analyzed and traffic pattern concepts are developed to minimize the midair collision hazard in uncontrolled airspace. An analytical approach to evaluate midair collision hazard probability as a function of traffic densities is established which is basically independent of path structure. Two methods of generating space-time interrelationships between terminal area aircraft are presented; one is a deterministic model to generate pseudorandom aircraft tracks, the other is a statistical model in preliminary form. Some hazard measures are presented for selected traffic densities. It is concluded that the probability of encountering a hazard should be minimized independently of any other considerations and that the number of encounters involving visible-avoidable aircraft should be maximized at the expense of encounters in other categories.

Baxa, E. G., Jr.↗

Modelling the near-Earth space environment using LDEF data

Near-Earth space is a dynamic environment, that is currently not well understood. In an effort to better characterize the near-Earth space environment, this study compares the results of actual impact crater measurement data and the Space Environment (SPENV) Program developed in-house at POD, to theoretical models established by Kessler (NASA TM-100471, 1987) and Cour-Palais (NASA SP-8013, 1969). With the continuing escalation of debris there will exist a definite hazard to unmanned satellites as well as manned operations. Since the smaller non-trackable debris has the highest impact rate, it is clearly necessary to establish the true debris environment for all particle sizes. Proper comprehension of the near-Earth space environment and its origin will permit improvement in spacecraft design and mission planning, thereby reducing potential disasters and extreme costs. Results of this study directly relate to the survivability of future spacecraft and satellites that are to travel through and/or reside in low Earth orbit (LEO). More specifically, these data are being used to: (1) characterize the effects of the LEO micrometeoroid an debris environment on satellite designs and components; (2) update the current theoretical micrometeoroid and debris models for LEO; (3) help assess the survivability of spacecraft and satellites that must travel through or reside in LEO, and the probability of their collision with already resident debris; and (4) help define and evaluate future debris mitigation and disposal methods. Combined model predictions match relatively well with the LDEF data for impact craters larger than approximately 0.05 cm, diameter; however, for smaller impact craters, the combined predictions diverge and do not reflect the sporadic clouds identified by the Interplanetary Dust Experiment (IDE) aboard LDEF. The divergences cannot currently be explained by the authors or model developers. The mean flux of small craters (approximately 0.05 cm diameter) is overpredicted by Kessler and underpredicted by Cour-Palais. This divergence may be a result of beta-meteoroid fluxes, elliptical orbits or a combination of the two. The results of this study illustrate the definite need for more intensive study of the near-Earth space environment, particularly the small particle regime, as it is the most degrading to spacecraft in LEO.

Atkinson, Dale R.↗

A time-dependent wave packet approach to atom-diatom reactive collision probabilities - Theory and application to the H + H2(J = 0) system

This paper describes a new approach to the study of atom-diatom reactive collisions in three dimensions employing wave packets and the time-dependent Schroedinger equation. The method uses a projection operator approach to couple the inelastic and reactive portions of the total wave function and optical potentials to circumvent the necessity of using product arrangement coordinates. Reactive transition probabilities are calculated from the state resolved flux of the wave packet as it leaves the interaction region in the direction of the reactive arrangement channel. The present approach is used to obtain such vibrationally resolved probabilities for the three-dimensional H + H2 (J = 0) hydrogen exchange reaction, using a body-fixed system of coordinates.

Neuhauser, Daniel↗

VERA Enhancements for Cross Section Shielding and Geometry Capabilities

Two tasks were undertaken in FY22 that focus on VERA enhancements. The first task involved improvements to the new cross section shielding capability that was added to VERA in FY21. This cell-based capability solves the slowing down problem for each pin cell using Dancoff factors calculated from the whole-core problem. The Dancoff factors are determined for each subgroup level for important sets of materials such as fuel rods, control rods, fuel rods loaded with gad, etc. The cross-section shielding is then performed for each cell using a 1D cylindrical collision probabilities (CP) calculation to obtain the equivalence cross sections required for the core transport calculations. The advantage of this method over the whole-core subgroup calculations is efficiency, since far fewer sweeps of the entire core are required.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Computational Bayesian Methods Applied to Complex Problems in Bio and Astro Statistics

In this dissertation we apply computational Bayesian methods to three distinct problems. In the first chapter, we address the issue of unrealistic covariance matrices used to estimate collision probabilities. We model covariance matrices with a Bayesian Normal-Inverse-Wishart model, which we fit with Gibbs sampling. In the second chapter, we are interested in determining the sample sizes necessary to achieve a particular interval width and establish non-inferiority in the analysis of prevalences using two fallible tests. To this end, we use a third order asymptotic approximation. In the third chapter, we wish to synthesize evidence across multiple domains in measurements taken longitudinally across time, featuring a substantial amount of structurally missing data, and fit the model with Hamiltonian Monte Carlo in a simulation to analyze how estimates of a parameter of interest change across sample sizes.

Elrod, Chris↗

MultiLayer Clustered Sampling (MLCS) technique for near-earth asteroid impact hazard assessment

Because of planetary encounters, the motion of near-Earth asteroids is chaotic and small differences in the initial conditions tend to diverge exponentially. Linear approximations for propagating orbital uncertainties can lead to inaccurate estimates of the probability of an Earth collision. We present a novel fully nonlinear strategy for estimating the probability of an asteroid impact using sequential Monte Carlo layers. The method first explores a low-resolution layer to locate potentially relevant regions. Then, we conduct localized searches on deeper layers with higher resolution. The method retains the accuracy of brute-force Monte Carlo sampling while reducing the computational cost by only sampling relevant regions.

Farnocchia, Davide↗

Molecular spectroscopy and collisional excitation

The paper examines the basic principles underlying the molecular transitions responsible for interstellar molecular spectra. The energy levels of molecules are discussed in detail with special attention given to the Born-Oppenheimer approximation, the electronic Hamiltonian, and the parameters of vibrational and rotational energy. The probabilities for radiative and collisional transitions are calculated. A brief review of techniques for molecular spectroscopy is presented along with methods used to determine collision cross sections on both an experimental and a theoretical basis.

Green, S.↗

Cross Sections for Electron Impact Excitation of Ions Relevant to Planetary Atmospheres Observation

The goal of this research grant was to calculate accurate oscillator strengths and electron collisional excitation strengths for inelastic transitions in atomic species of relevance to Planetary Atmospheres. Large scale configuration-interaction atomic structure calculations have been performed to obtain oscillator strengths and transition probabilities for transitions among the fine-structure levels and R-matrix method has been used in the calculations of electron-ion collision cross sections of C II, S I, S II, S III, and Ar II. A number of strong features due to ions of sulfur have been detected in the spectra of Jupiter satellite Io. The electron excitation cross sections for the C II and S II transitions are studied in collaboration with the experimental atomic physics group at the Jet Propulsion Laboratory. There is excellent agreement between experiment and theory which provide an accurate and broad-base test of the ability of theoretical methods used in the calculation of atomic processes. Specifically, research problems have been investigated for: electron impact excitation cross sections of C II: electron impact excitation cross sections of S III; energy levels and oscillator strengths for transitions in S III; collision strengths for electron collisional excitation of S II; electron impact excitation of inelastic transitions in Ar II; oscillator strengths of fine-structure transitions in neutral sulfur; cross sections for inelastic scattering of electrons from atomic nitrogen; and excitation of atomic ions by electron impact.

Tayal, Swaraj S.↗

Covariance Manipulation for Conjunction Assessment

Use of probability of collision (Pc) has brought sophistication to CA. Made possible by JSpOC precision catalogue because provides covariance. Has essentially replaced miss distance as basic CA parameter. Embrace of Pc has elevated methods to 'manipulate' covariance to enable/improve CA calculations. Two such methods to be examined here; compensation for absent or unreliable covariances through 'Maximum Pc' calculation constructs, projection (not propagation) of epoch covariances forward in time to try to enable better risk assessments. Two questions to be answered about each; situations to which such approaches are properly applicable, amount of utility that such methods offer.

Probability↗

Statistical Orbit Determination using the Particle Filter for Incorporating Non-Gaussian Uncertainties

The tracking of space objects requires frequent and accurate monitoring for collision avoidance. As even collision events with very low probability are important, accurate prediction of collisions require the representation of the full probability density function (PDF) of the random orbit state. Through representing the full PDF of the orbit state for orbit maintenance and collision avoidance, we can take advantage of the statistical information present in the heavy tailed distributions, more accurately representing the orbit states with low probability. The classical methods of orbit determination (i.e. Kalman Filter and its derivatives) provide state estimates based on only the second moments of the state and measurement errors that are captured by assuming a Gaussian distribution. Although the measurement errors can be accurately assumed to have a Gaussian distribution, errors with a non-Gaussian distribution could arise during propagation between observations. Moreover, unmodeled dynamics in the orbit model could introduce non-Gaussian errors into the process noise. A Particle Filter (PF) is proposed as a nonlinear filtering technique that is capable of propagating and estimating a more complete representation of the state distribution as an accurate approximation of a full PDF. The PF uses Monte Carlo runs to generate particles that approximate the full PDF representation. The PF is applied in the estimation and propagation of a highly eccentric orbit and the results are compared to the Extended Kalman Filter and Splitting Gaussian Mixture algorithms to demonstrate its proficiency.

Mashiku, Alinda↗

Asteroidal collision probabilities

Several past calculations of collision probabilities between pairs of bodies on independent orbits have yielded inconsistent results. We review the methodologies and identify their various problems. Greenberg's (1982) collision probability formalism (now with a corrected symmetry assumption) is equivalent to Wetherill's (1967) approach, except that it includes a way to avoid singularities near apsides. That method shows that the procedure by Namiki and Binzel (1991) was accurate for those cases where singularities did not arise.

Bottke, William F., Jr.↗

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗