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DOE OSTI2022

Neutron Leakage Spectra Sensitivities for ICSBEP Benchmarks

Neutron leakage spectra have been measured, simulated, and investigated by many groups. These spectra have many uses, including determining shielding requirements and calculating dose for radiation protection purposes, validating nuclear data, and determining material composition. It has even been proposed to use measurements of neutron leakage spectra to determine the soil composition of Mars. As part of the Los Alamos National Laboratory (LANL) Experiments Underpinned by Computational Learning for Improvements in nuclear Data (EUCLID) Laboratory Directed Research Development (LDRD) project, the authors are working on developing methods to calculate sensitivities to neutron leakage spectra. This may allow nuclear data evaluators to better use neutron leakage spectra data to constrain or adjust nuclear data. This may also be particularly useful as many neutron leakage spectra measurements do not require fissile material and can be performed with well characterized neutron sources. Neutron leakage spectra measurements are usually performed by placing a detector at the outside of a nuclear system. This may be a reactor, a neutron generator, or a neutron source. Certain detection systems can use pulse height data to infer neutron energies, other detector systems rely on other ways of determining neutron energy (for example, a Bonner sphere with multiple moderator thicknesses can be used to measure neutron spectrum). These measurements typically rely on some unfolding of the measured results. For pulsed systems like the "Livermore Pulsed Spheres," time-of-flight information can also help to constrain the neutron energy spectra data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1993

Thermophysical properties of simple liquid metals: A brief review of theory

In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.

Stroud, David↗

NASA NTRS1980

Estimation of effective hydrologic properties of soils from observations of vegetation density

A one-dimensional model of the annual water balance is reviewed. Improvements are made in the method of calculating the bare soil component of evaporation, and in the way surface retention is handled. A natural selection hypothesis, which specifies the equilibrium vegetation density for a given, water limited, climate soil system, is verified through comparisons with observed data. Comparison of CDF's of annual basin yield derived using these soil properties with observed CDF's provides verification of the soil-selection procedure. This method of parameterization of the land surface is useful with global circulation models, enabling them to account for both the nonlinearity in the relationship between soil moisture flux and soil moisture concentration, and the variability of soil properties from place to place over the Earth's surface.

Tellers, T. E.↗

NASA NTRS1991

Effect of nose shape on three-dimensional stagnation region streamlines and heating rates

A new method for calculating the three-dimensional inviscid surface streamlines and streamline metrics using Cartesian coordinates and time as the independent variable of integration has been developed. The technique calculates the streamline from a specified point on the body to a point near the stagnation point by using a prescribed pressure distribution in the Euler equations. The differential equations, which are singular at the stagnation point, are of the two point boundary value problem type. Laminar heating rates are calculated using the axisymmetric analog concept for three-dimensional boundary layers and approximate solutions to the axisymmetric boundary layer equations. Results for elliptic conic forebody geometries show that location of the point of maximum heating depends on the type of conic in the plane of symmetry and the angle of attack, and that this location is in general different from the stagnation point. The new method was found to give smooth predictions of heat transfer in the nose region where previous methods gave oscillatory results.

Hassan, Basil↗

DOE OSTI2022

Many-body theory of phonon-induced spin relaxation and decoherence

First-principles calculations enable accurate predictions of electronic interactions and dynamics. However, computing the electron spin dynamics remains challenging. The spin-orbit interaction causes various dynamical phenomena that couple with phonons, such as spin precession and spin-flip e-ph scattering, which are difficult to describe with current first-principles calculations. Here, in this work, we show a rigorous framework to study phonon-induced spin relaxation and decoherence, by computing the spin-spin correlation function and its vertex corrections due to e-ph interactions. We apply this approach to a model system and develop corresponding first-principles calculations of spin relaxation in GaAs. Our vertex-correction formalism is shown to capture the Elliott-Yafet, Dyakonov-Perel, and strong-precession mechanisms—three independent spin decoherence regimes with distinct physical origins—thereby unifying their theoretical treatment and calculation. Our method is general and enables quantitative studies of spin relaxation, decoherence, and transport in a wide range of materials and devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Analysis of Data Fusion Between Waveform Events and Radionuclide Detections Reported in 2021 by the International Data Centre

During this project, we assessed the percentage of events reported by the International Data Centre (IDC) that are candidates for evaluation using data fusion methods. We calculated the percentage of waveform (seismic, hydroacoustic, infrasound, SHI) events that may be associated with radionuclide (RN) detections and vice versa. For this task, data fusion means identifying RN detections that may be associated with SHI events. The task of producing a fused SHI and RN bulletin is included in the IDC operational manual. As of 2022, the production of a fused event bulletin remains incomplete, largely because methods for producing the bulletin are under development. Nonetheless, simple methods for data fusion have been developed and preliminary software tools are available at the IDC to associate SHI events and RN detections. This report is a first look at the percentage of SHI events that may be candidates for fusion with RN detections or bulletins. One year of IDC bulletin data (2021) is considered in this report. It is important to note that there were no known nuclear explosions during this time period. Hence, we expect that events during this time period would generate SHI and RN signals. If many SHI events are candidates for fusion with RN data, greater priority should be placed on establishing screening procedures before and/or during the fusion process. By contrast, if the number of candidate events is diminishingly small, then data fusion is not a driver for further development of event or detection screening at the IDC. LLNL reviewed the events reported in the Standard Event Bulletin (SEB) and determined which events are candidates for fusion with the Reviewed Radionuclide Reports (RRR). Much of the work involves establishing a metric or metrics for determining whether a Reviewed Event Bulletin (REB) event is a candidate for data fusion.

58 GEOSCIENCES↗

DOE OSTI2021

Revisiting adiabatic fraction estimations in cumulus clouds: high-resolution simulations with a passive tracer

The process of mixing in warm convective clouds and its effects on microphysics are crucial for an accurate description of cloud fields, weather, and climate. Still, they remain open questions in the field of cloud physics. Adiabatic regions in the cloud could be considered non-mixed areas and therefore serve as an important reference to mixing. For this reason, the adiabatic fraction (AF) is an important parameter that estimates the mixing level in the cloud in a simple way. Here, we test different methods of AF calculations using high-resolution (10 m) simulations of isolated warm cumulus clouds. The calculated AFs are compared with a normalized concentration of a passive tracer, which is a measure of dilution by mixing. This comparison enables the examination of how well the AF parameter can determine mixing effects and the estimation of the accuracy of different approaches used to calculate it. Comparison of three different methods to derive AF, with the passive tracer, shows that one method is much more robust than the others. Moreover, this method's equation structure also allows for the isolation of different assumptions that are often practiced when calculating AF such as vertical profiles, cloud-base height, and the linearity of AF with height. The use of a detailed spectral bin microphysics scheme allows an accurate description of the supersaturation field and demonstrates that the accuracy of the saturation adjustment assumption depends on aerosol concentration, leading to an underestimation of AF in pristine environments.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

Dynamic pattern matcher using incomplete data

This invention relates generally to pattern matching systems, and more particularly to a method for dynamically adapting the system to enhance the effectiveness of a pattern match. Apparatus and methods for calculating the similarity between patterns are known. There is considerable interest, however, in the storage and retrieval of data, particularly, when the search is called or initiated by incomplete information. For many search algorithms, a query initiating a data search requires exact information, and the data file is searched for an exact match. Inability to find an exact match thus results in a failure of the system or method.

Johnson, Gordon G.↗

DOE OSTI2023

Many-Body Majorana Braiding without an Exponential Hilbert Space

Qubits built out of Majorana zero modes constitute the primary path toward topologically protected quantum computing. Simulating the braiding process of multiple Majorana zero modes corresponds to the quantum dynamics of a superconducting many-body system. It is crucial to study the Majorana dynamics both in the presence of all other quasiparticles and for reasonably large system sizes. We present a method to calculate arbitrary many-body wave functions as well as their expectation values, correlators, and overlaps from time evolved single-particle states of a superconductor, allowing for significantly larger system sizes. We calculate the fidelity, transition probabilities, and joint parities of Majorana pairs to track the quality of the braiding process. Here, we show how the braiding success depends on the speed of the braid. Moreover, we demonstrate the topological CNOT two-qubit gate as an example of two-qubit entanglement. Our Letter opens the path to test and analyze the many theoretical implementations of Majorana qubits. Moreover, this method can be used to study the dynamics of any noninteracting superconductor.

Majorana bound states↗

NASA NTRS1989

Technique for Evaluating the Erosive Properties of Ablative Internal Insulation Materials

A technique for determining the average erosion rate versus Mach number of candidate internal insulation materials was developed for flight motor applications in 12 inch I.D. test firing hardware. The method involved the precision mounting of a mechanical measuring tool within a conical test cartridge fabricated from either a single insulation material or two non-identical materials each of which constituted one half of the test cartridge cone. Comparison of the internal radii measured at nine longitudinal locations and between eight to thirty two azimuths, depending on the regularity of the erosion pattern before and after test firing, permitted calculation of the average erosion rate and Mach number. Systematic criteria were established for identifying erosion anomalies such as the formation of localized ridges and for excluding such anomalies from the calculations. The method is discussed and results presented for several asbestos-free materials developed in-house for the internal motor case insulation in solid propellant rocket motors.

McComb, J. C.↗

NASA NTRS1951

A general integral form of the boundary-layer equation for incompressible flow with an application to the calculation of the separation point of turbulent boundary layers

A general integral form of the boundary-layer equation, valid for either laminar or turbulent incompressible boundary-layer flow, is derived. By using the experimental finding that all velocity profiles of the turbulent boundary layer form essentially a single-parameter family, the general equation is changed to an equation for the space rate of change of the velocity-profile shape parameter. The lack of precise knowledge concerning the surface shear and the distribution of the shearing stress across turbulent boundary layers prevented the attainment of a reliable method for calculating the behavior of turbulent boundary layers.

Tetervin, Neal↗

NASA NTRS2011

Enhancements in Deriving Smoke Emission Coefficients from Fire Radiative Power Measurements

Smoke emissions have long been quantified after-the-fact by simple multiplication of burned area, biomass density, fraction of above-ground biomass, and burn efficiency. A new algorithm has been suggested, as described in Ichoku & Kaufman (2005), for use in calculating smoke emissions directly from fire radiative power (FRP) measurements such that the latency and uncertainty associated with the previously listed variables are avoided. Application of this new, simpler and more direct algorithm is automatic, based only on a fire's FRP measurement and a predetermined coefficient of smoke emission for a given location. Attaining accurate coefficients of smoke emission is therefore critical to the success of this algorithm. In the aforementioned paper, an initial effort was made to derive coefficients of smoke emission for different large regions of interest using calculations of smoke emission rates from MODIS FRP and aerosol optical depth (AOD) measurements. Further work had resulted in a first draft of a 1 1 resolution map of these coefficients. This poster will present the work done to refine this algorithm toward the first production of global smoke emission coefficients. Main updates in the algorithm include: 1) inclusion of wind vectors to help refine several parameters, 2) defining new methods for calculating the fire-emitted AOD fractions, and 3) calculating smoke emission rates on a per-pixel basis and aggregating to grid cells instead of doing so later on in the process. In addition to a presentation of the methodology used to derive this product, maps displaying preliminary results as well as an outline of the future application of such a product into specific research opportunities will be shown.

Ellison, Luke↗

NASA NTRS2017

Gravity-Assist Trajectories to the Ice Giants: An Automated Method to Catalog Mass- Or Time-Optimal Solutions

This work presents an automated method of calculating mass (or time) optimal gravity-assist trajectories without a priori knowledge of the flyby-body combination. Since gravity assists are particularly crucial for reaching the outer Solar System, we use the Ice Giants, Uranus and Neptune, as example destinations for this work. Catalogs are also provided that list the most attractive trajectories found over launch dates ranging from 2024 to 2038. The tool developed to implement this method, called the Python EMTG Automated Trade Study Application (PEATSA), iteratively runs the Evolutionary Mission Trajectory Generator (EMTG), a NASA Goddard Space Flight Center in-house trajectory optimization tool. EMTG finds gravity-assist trajectories with impulsive maneuvers using a multiple-shooting structure along with stochastic methods (such as monotonic basin hopping) and may be run with or without an initial guess provided. PEATSA runs instances of EMTG in parallel over a grid of launch dates. After each set of runs completes, the best results within a neighborhood of launch dates are used to seed all other cases in that neighborhood-allowing the solutions across the range of launch dates to improve over each iteration. The results here are compared against trajectories found using a grid-search technique, and PEATSA is found to outperform the grid-search results for most launch years considered.

Hughes, Kyle M.↗

NASA NTRS2017

Gravity-Assist Trajectories to the Ice Giants: An Automated Method to Catalog Mass-or Time-Optimal Solutions

This work presents an automated method of calculating mass (or time) optimal gravity-assist trajectories without a priori knowledge of the flyby-body combination. Since gravity assists are particularly crucial for reaching the outer Solar System, we use the Ice Giants, Uranus and Neptune, as example destinations for this work. Catalogs are also provided that list the most attractive trajectories found over launch dates ranging from 2024 to 2038. The tool developed to implement this method, called the Python EMTG Automated Trade Study Application (PEATSA), iteratively runs the Evolutionary Mission Trajectory Generator (EMTG), a NASA Goddard Space Flight Center in-house trajectory optimization tool. EMTG finds gravity-assist trajectories with impulsive maneuvers using a multiple-shooting structure along with stochastic methods (such as monotonic basin hopping) and may be run with or without an initial guess provided. PEATSA runs instances of EMTG in parallel over a grid of launch dates. After each set of runs completes, the best results within a neighborhood of launch dates are used to seed all other cases in that neighborhood---allowing the solutions across the range of launch dates to improve over each iteration. The results here are compared against trajectories found using a grid-search technique, and PEATSA is found to outperform the grid-search results for most launch years considered.

Hughes, Kyle M.↗

DOE OSTI2026

Calculating shock Hugoniot and isentropes using multiphase equation of state tables and application to shock and release of diamond ablators in inertial confinement fusion implosions

Advances in shock and ramp compression techniques now allow experimental access to unprecedented extreme conditions of pressure and temperature, providing a means to test theoretical models. Here, we describe a simple methodology to compute multi-phase shock Hugoniot and isentropes using multiphase equation of state tables. We treat explicitly the phase coexistence along the phase boundary to reveal the evolution of the sample as it undergoes the phase transformation in adiabatic conditions. We illustrate the method by calculating the predicted shock and shock-and-release behavior of diamond at conditions relevant for the initial stage of inertial confinement fusion implosions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1985

An interplanetary magnetic field ensemble at 1 AU

A method for calculation ensemble averages from magnetic field data is described. A data set comprising approximately 16 months of nearly continuous ISEE-3 magnetic field data is used in this study. Individual subintervals of this data, ranging from 15 hours to 15.6 days comprise the ensemble. The sole condition for including each subinterval in the averages is the degree to which it represents a weakly time-stationary process. Averages obtained by this method are appropriate for a turbulence description of the interplanetary medium. The ensemble average correlation length obtained from all subintervals is found to be 4.9 x 10 to the 11th cm. The average value of the variances of the magnetic field components are in the approximate ratio 8:9:10, where the third component is the local mean field direction. The correlation lengths and variances are found to have a systematic variation with subinterval duration, reflecting the important role of low-frequency fluctuations in the interplanetary medium.

Matthaeus, W. H.↗

NASA NTRS1986

An interplanetary magnetic field ensemble at 1 AU

A method for calculation ensemble averages from magnetic field data is described. A data set comprising approximately 16 months of nearly continuous ISEE-3 magnetic field data is used in this study. Individual subintervals of this data, ranging from 15 hours to 15.6 days comprise the ensemble. The sole condition for including each subinterval in the averages is the degree to shich it represents a weakly time-stationary process. Averages obtained by this method are appropriate for a turbulence description of the interplanetary medium. The ensemble average correlation length obtained from all subintervals is found to be 4.9 x 10 to the 11th cm. The average value of the variances of the magnetic field components are in the approximate ratio 8:9:10, where the third component is the local mean field direction. The correlation lengths and variances are found to have a systematic variation with subinterval duration, reflecting the important role of low-frequency fluctuations in the interplanetary medium.

Matthaeus, W. H.↗

NASA NTRS1987

A linearized Euler analysis of unsteady flows in turbomachinery

A method for calculating unsteady flows in cascades is presented. The model, which is based on the linearized unsteady Euler equations, accounts for blade loading shock motion, wake motion, and blade geometry. The mean flow through the cascade is determined by solving the full nonlinear Euler equations. Assuming the unsteadiness in the flow is small, then the Euler equations are linearized about the mean flow to obtain a set of linear variable coefficient equations which describe the small amplitude, harmonic motion of the flow. These equations are discretized on a computational grid via a finite volume operator and solved directly subject to an appropriate set of linearized boundary conditions. The steady flow, which is calculated prior to the unsteady flow, is found via a Newton iteration procedure. An important feature of the analysis is the use of shock fitting to model steady and unsteady shocks. Use of the Euler equations with the unsteady Rankine-Hugoniot shock jump conditions correctly models the generation of steady and unsteady entropy and vorticity at shocks. In particular, the low frequency shock displacement is correctly predicted. Results of this method are presented for a variety of test cases. Predicted unsteady transonic flows in channels are compared to full nonlinear Euler solutions obtained using time-accurate, time-marching methods. The agreement between the two methods is excellent for small to moderate levels of flow unsteadiness. The method is also used to predict unsteady flows in cascades due to blade motion (flutter problem) and incoming disturbances (gust response problem).

Hall, Kenneth C.↗