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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Application of an Empirical Density Law via Python for Aqueous Plutonium Chloride Systems in MCNP6

Current aqueous plutonium processing models for criticality safety often contain significant bias due to material modeling assumptions. These solutions include plutonium chloride solutions, which are modeled as fictitious plutonium metal-water mixtures because little is known about the actual density of the solution. Furthermore, there is no current predictive capability for modeling plutonium metal-water mixtures that is approved for use at Los Alamos National Laboratory (LANL). Recent density measurements for aqueous plutonium chloride systems (PuCl 3 -HCl-H 2 O) now allow for the development and application of a more realistic density law. This work develops a Python-based density law for this ternary solution using an empirical method. This code can be used in conjunction with an MCNP6 input to determine the density and composition of a solution based upon user inputs of plutonium concentration, hydrochloric acid concentration, and temperature. The tool allows users to input plutonium and acid content of a solution in terms of molality, molarity, or concentration, and predicts density within the current data range within 1.4% of experimental data. Current preliminary MCNP6 calculations utilizing this tool have demonstrated a minimum decrease in system reactivity of 5% in comparison to the current modeling conventions. Thus, this tool enables more accurate criticality safety operational limits by better crediting chorine content while still maintaining necessary conservatism.

Density Law↗
DOE OSTI2025

A Semi-Empirical Density Law for Ternary, Homogeneous PuCl 3 /HCl/H 2 O Solutions

Nuclear material operations pose unique hazards that are not encountered in other chemical, energy, or manufacturing industries. One of these hazards is the potential for a nuclear criticality accident when handling fissile isotopes such as 235 U and 239 Pu. These hazards are particularly high when fissile material is dissolved in solution as the neutron behaviors of the system can change rapidly with the physical and chemical changes accessible in solution. Current estimates of solution density used for criticality safety are outdated and hinder fissile material handling. Developing new estimates for these safety calculations requires experimental characterization and the derivation of empirical density models. We have derived a density law describing PuCl 3 /HCl/H 2 O solutions from experimental data characterizing solution density. Density data was treated using a Pitzer-derived eight-parameter equation, defining density as a function of analyte concentrations, temperature, and interactions between these variables. The model is predictive across the concentration and temperature ranges from which it was derived. The potential effects of varying oxidation states of plutonium, which are easily accessible in aqueous media, on the bulk solution density of the ternary system were also investigated. The resulting Pitzer-derived density law was applied to a nuclear criticality safety model, and the impact of the experimental characterization of solution density relative to previous estimates was demonstrated to be significant and suggest that the current approach to estimating density in nuclear criticality safety calculations may lead to overly conservative controls.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Application of an Empirical Density Law via Python for Aqueous Plutonium Chloride Systems for MCNP6

Criticality safety models for aqueous plutonium chloride systems often contain a significant bias due to assumptions in material compositions. These systems are currently modeled as a fictitious metal-water mixture because little is known about the true solution density. Furthermore, no predictive density tools or capabilities for modeling aqueous plutonium chloride systems are approved for use at Los Alamos National Laboratory. Recent density measurements of this ternary system (PuCl 3 -HCl-H 2 O) have allowed for the development of a more realistic density law, which is applied in this work via an empirical method based in Python. This tool, entitled PuCS (Plutonium Chloride Solution tool) may be used to determine solution density and composition based on the plutonium content, acid content, and temperature for MCNP6 inputs. PuCS has been found to predict density within 2% of experimental data. In conclusion, MCNP6 calculations have found that crediting minimal amounts of free acid (0.5 M) may correspond to a ~12% decrease in peak reactivity in comparison to current modeling methods.

42 ENGINEERING↗
NASA NTRS1992

Cold dissipationless collapse of spherical systems - Sensitivity to the initial density law

The collapse of cold, initially spherical systems with varying degrees of central condensation is investigated. The way in which the final shape of a collapsing system depends on the initial density law is examined. For an initial stellar number density rho varies as r exp -n, where n is in the range 0-2.5, the final, nearly prolate shape is given by a/c is approximately equal to 1.28(1 + 0.16 n), where a/c is the ratio of long to short axes of the inertia ellipsoid computed from the moment of inertia tensor of the most tightly bound 80 percent of the mass. The properties associated with the final states in the present computations are also studied. The collapsing systems develop an anisotropic halo dominated by radial orbits surrounding an isotropic core as predicted by Burkert (1990).

Cannizzo, John K.↗
DOE OSTI2023

Application of a Density Law via Python for Aqueous Plutonium Nitrate

A predictive density tool has been developed in Python to reduce bias and uncertainty in nuclear criticality safety calculations for plutonium nitrate systems. The Pitzer Method and an empirical method were implemented into the tool, allowing for plutonium nitrate density calculations. Additionally, the Python tool can generate atom densities for a MCNP6.2 material card using the density from the selected method and directly the densities into a prepared MCNP6 input text file. The material card and density are calculated based on customizable user inputs of plutonium content, nitric acid content, temperature, plutonium isotope weight percentages and impurity concentrations. The Python tool has been validated and verified against the International Handbook of Evaluated Criticality Safety Benchmark Experiments to predict densities within a root mean square error of 1.0% for the Pitzer method and 1.8% for the empirical method. These errors in density were shown to lead to a ±0.5% error in MCNP6.2 calculated k effective for the Pitzer method and a ±1.7% error for the Empirical method. Simultaneous work is also being done at the University of New Mexico and Los Alamos National Laboratory to create a similar tool for plutonium chloride solutions, which aims to provide the accreditation of the chlorine absorption. These capabilities will not only provide more accurate models but also lead the way towards a better understanding of solution systems and potential relaxation in the conservatism of the current aqueous plutonium processing limits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Experimental Steps toward a Density Law for Chlorine-Crediting Criticality Models of Aqueous Plutonium solutions

Criticality accident prevention is an essential safety consideration for all operations involving fissionable and fissile materials. Predictive criticality calculations using advanced neutron transport codes, such as Monte Carlo N-Particle Transport (MCNP), are invaluable tools for designing and implementing operational limits. While indispensable, these tools are limited by the quality and accuracy of the inputs that the user provides to define the modeled system. Parameters such as atomic composition, shape, and material density must be accurately defined to obtain a meaningful result. In the case of material property details for a plutonium model, accurate material characterization data is sometimes sparse. Thus limitations in calculation accuracy can be reduced by improving our knowledge of material properties in the targeted fissile systems. One of the biggest remaining challenges to accurately defining fissile systems is the description of aqueous fissile solutions. Even simple properties, such as density, are not well-known for fissile solutions relevant to nuclear energy and security. Described here are initial efforts undertaken to improve criticality calculation inputs for fissile plutonium chloride solutions in water. This effort is focused on experimentally determining accurate solution characteristics for ternary plutonium chloride/hydrochloric acid/water systems, by measurement of water activity and solution density. The effect of inputting experimental densities for these solutions into MCNP criticality calculations is compared to the traditional approach of modeling an idealized (and fictitious) plutonium-water mixture. Expansion of these efforts to a working density law for aqueous plutonium chloride solutions is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Effects of Chlorine Capture and a Proposed Density Law on the Reactivity of Plutonium Solution Systems

During fissionable material processing, all normal and credible abnormal conditions must remain safely subcritical. Nuclear Criticality Safety (NCS) uses a number of methods to determine subcriticality, one of which is the use of neutron transport codes such as MCNP6. In order to create models for use with MCNP6, both the geometry and materials in fissionable material processes must be known, or assumptions must be made and quantified for the impact to bias. One of the systems with a significant amount of bias due to material modeling assumptions is in the area of aqueous plutonium processing. These solutions are typically plutonium nitrate solutions or plutonium chloride solutions, which are modeled as fictitious plutonium metal-water mixtures because little is known about the actual density of the solution and there is no current predictive capability approved for use at Los Alamos National Laboratory (LANL) for modeling them. This research is currently underway to fill the gap and develop an algorithm for use with MCNP6 to model the density of plutonium chloride solutions. The method is to be validated with experimental data for density, and also validated with critical experiments using MCNP6. Note that the Chlorine Worth Study (CWS) was performed in December 2021 to help bridge the gap in chlorine data for critical experiments, and is currently awaiting International Criticality Safety Benchmark Evaluation Project (ICSBEP) review. This study was performed by LANL at the National Criticality Experiments Research Center (NCERC) at the Nevada National Security Site (NNSS). Additional information regarding this experiment may currently be found in LA-UR- 22-29180. Additionally, the Chemistry-Actinide Analytical Chemistry (C-AAC) at LANL has performed a number of solution density measurements for PuCl 3 -HC 1 -H 2 O, allowing for such data be used to create a semi-empirical density via the Pitzer method. The published dataset for the measurements is documented in LA-UR-22-25454. This method has already been tested successfully for aqueous plutonium nitrate solutions in SCALE. Current solution density measurements exist of plutonium concentrations of 0-~142g/L, all at 2M HC1, at temperatures 20-40°C. Additional data was taken for HC1-corrected density values, which essentially mimics the data for a pure PuCl x -water solution. The calculations in this report aim to support the current research by demonstrating the difference in system reactivity for the current modeling method when compared to the new proposed modeling with a density law implementation, which is being written as a Python tool to be used with MCNP6.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

A Python Tool for Aqueous Plutonium Nitrate Density Law Input Preprocessing in MCNP6

Here, this work develops a predictive density tool in Python, named Plutonium Nitrate Solutions (PuNS), to reduce bias and uncertainty in nuclear criticality safety calculations for plutonium nitrate systems. The Pitzer method and an empirical method were implemented into the PuNS tool to generate atom densities for use in MCNP6 material cards. These material cards are directly prepared into an MCNP6 input text file and are calculated based on customizable user inputs of plutonium content, nitric acid content, temperature, and plutonium isotope weight percentages. The PuNS tool is validated and verified against the International Criticality Safety Benchmark Evaluation Project Handbook experiments and is observed to predict densities within a root mean square error of 0.89% for the Pitzer method and 1.82% for the empirical method. These errors in density lead to up to 1569 pcm difference in MCNP6 calculated k eff for the Pitzer method and up to a 1751 pcm difference for the empirical method when compared to experimental benchmarks. Simultaneous work is also being performed at Los Alamos National Laboratory and the University of New Mexico to create a similar tool for plutonium chloride solutions, named Plutonium Chloride Solution, which aims to provide the accreditation of the chlorine absorption. These capabilities will not only provide more accurate models but also facilitate an improved understanding of solution systems and a potential relaxation in the conservatism of current aqueous plutonium processing criticality safety limits.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1994

Thin shell formation in radiative shocks. 1: Supernova remnants in low-density media

This paper explores the onset of thin-shell formation in interstellar shocks associated with supernova explosions. We outline a simple but useful scheme that indicates the time at which thin shell formation begins for supernova remnants (SNRs) evolving in a range of interstellar environments, extending the previous analytical models to arbitrary power-law density media. The result depends on the gas cooling properties and the shock velocity and radius. This is then applied to the specific case of SNRs in low-density media. The procedure for defining the time for the onset of shell formation, t(sub sf), equates the value of the adiabat, kappa = p/rho(exp gamma), to zero using the known time dependence of the shock radius and velocity. For the case of a power-law density ambient medium of the form rho(r) = Br(exp -omega), it is found that shell formation can be prevented when the ambient density drops faster than a critical rate. For a cooling function of the form Lambda = Lambda(sub 0) tau(exp beta), with beta = -0.5 (appropriate for line cooling), shell formation never occurs for omega greater than or equal to 9/5. The shell formation time is then computed for spherical shocks in a power-law density medium. For omega = 0, the onset of shell formation is found to be at t(sub sf) approx. equal to 2.87 x 10(exp 4) E51(exp 3/14) n(sub 0 exp -4.7) yr, which agrees well with previous estimates derived by other means. We compare the analytical shell formation time with the results of detailed numerical models for omega = 0 and three different ambient densities and find good agreement. The extension of the criterion for the onset of thin shell formation using the ratio of cooling to swept-up column density is also described. This method provides a useful approximation for cases when the exact solution is not known.

Franco, Jose↗
NASA NTRS1992

Hydrodynamic instabilities in supernova remnants - Self-similar driven waves

An initial study aimed at elucidating the multidimensional aspects of the hydrodynamic instabilities in supernova remnants is presented. Self-similar solutions are found to exist for the interaction of a steep power-law density profile expanding into a relatively flat stationary power-law density profile. Consideration of the pressure and entropy profiles in the shocked 1D flows shows that the flows are subject to convective instability, by a local criterion. The growth rate for the instability becomes very large near the contact discontinuity between the two shocked regions. A linear analysis of the complete self-similar solutions shows that the solutions are unstable above a critical wavenumber and that the growth rate is greatest at the position of the contact discontinuity. The X-ray image of the remnant of SN 1572 (Tycho) shows emission from clumps of supernova ejecta, which is good evidence for instabilities in this remnant.

Chevalier, Roger A.↗
DOE OSTI2023

Universal scaling laws and density slopes for dark matter haloes

Smalls scale challenges suggest some missing pieces in our current understanding of dark matter. In this work, a cascade theory for dark matter is proposed to provide extra insights, similar to the cascade phenomenon in hydrodynamic turbulence. The kinetic energy is cascaded in dark matter from small to large scales involves a constant rate $ε_u$ (≈–4.6×10 –7 m 2 / s 3 ). Confirmed by N-body simulations, the energy cascade leads to a two-thirds law for kinetic energy $v^2_r$ on scale $\textit{r}$ such that $v^2_r∝(ε_ur)^{2/3}$. Equivalently, a four-thirds law can be established for mean halo density $ρ_s$ enclosed in the scale radius $r_s$ such that $ρ_s ∝ε^{2/3}_uG^{–1}r^{–4/3}_s$, which was confirmed by galaxy rotation curves. Critical properties of dark matter might be obtained by identifying key constants on relevant scales. First, the largest halo scale $r_l$ can be determined by $–u^3_0/ε_u$, where u0 is the velocity dispersion. Second, the smallest scale rη is dependent on the nature of dark matter. For collisionless dark matter, $r_η∝(–Gℏ/ε_u)^{1/3}$ ≈ 10 –13 m , where ℏ is the Planck constant. An uncertainty principle for momentum and acceleration fluctuations is also postulated. For self-interacting dark matter, $r_η∝ε^2_uG^{–3}(σ/m)^3$, where σ/m is the cross-section of interaction. On halo scale, the energy cascade leads to an asymptotic density slope γ = –4/3 for fully virialized haloes with a vanishing radial flow, which might explain the nearly universal halo density. Based on the continuity equation, halo density is analytically shown to be closely dependent on the radial flow and mass accretion, such that simulated haloes can have different limiting slopes. A modified Einasto density profile is proposed accordingly.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Near-infrared observations of IRAS sources in and near dense cores

We report 0.4 to 20 micron photometry of 27 Infrared Astronomy Satellite (IRAS) point sources associated with dense cores in nearby dark clouds. It is found that these objects have a bimodal distribution of spectral slopes. The objects in the group with steep spectral slopes are typically within one half power radius of the core peak and are not visible on the POSS. The remainder of the objects are typically further from their cores, are optically visible and have shallow spectral slopes (s is approximately 0.6). Most of the sources in this group which have been previously identified are T Tauri stars. Both the groups of objects have essentially the same luminosity function with median luminosity of 1 to 2 L(solar), which is similiar to the luminosity function for T Tauri stars. The near-infrared (J,H,K,L) colors of the objects have been used to estimate the visual extinction to the stars. This indicates that the typical steep spectrum source has extinction A(upsilon) of approximately 30 magnitudes, which is larger by a factor of 3 to 4 than a uniform core can provide, thus the density must rise steeply in the vicinity of the star. For those objects where optical estimates of the extinction are available the optical estimates are typically smaller than our IR estimates by a factor of 1.6. For multiple scattering by grains that scatter primarily in the forward direction, this implies a grain albedo of 0.4 at V, consistent with theoretical predictions for bare grains. Using this derived extinction, the FIR emission from a spherical shell with an inverse power law density which contributes the correct amount of extinction has been modelled. It is shown that to be consistent with both the observations of the density of the core at a scale of 1.5 x 10(17) cm and the extinction derived from the near-IR colors there must be a circumstellar hole of radius 10-100 A.U. for all density laws with exponents greater than 1.2. It is also shown that a component in addition to the star and circumstellar shell is necessary to match the observed spectrum of steep spectrum sources.

Fuller, G. A.↗
NASA NTRS1972

Evidence for a continuous, power law, electron density irregularity spectrum

The spectral form of the irregularities in electron density that cause interplanetary scintillation (IPS) of small angular diameter radio sources is discussed. The intensity scintillation technique always yields an irregularity scale size, which is of the order of the first Fresnel zone for the wavelength at which the observations are taken. This includes not only the radio wavelength measurements of the structure of the interplanetary medium, but also radio wavelength measurements of the irregularity structure of the ionosphere and interstellar medium, and optical wavelength measurements of the irregularity structure of the atmosphere.

Cronyn, W. M.↗
NASA NTRS1978

Discovery of polarized light scattered by dust around Alpha Orionis

Following the suggestion by Jura and Jacoby (1976), linearly polarized blue continuum starlight scattered by the dust shell around the M2 Iab star Alpha Orionis (Betelgeuse) has been discovered. The polarization has been traced in the NE, NW, SE, and SW directions and has positive (tangential) orientation. Some asymmetry of the optical depth in the shell exists 15 and 30 arcsec from the star. In the NE direction the polarization was measured as far as 90 arcsec (17,000 AU) from the star. The dependence of the average intensity of the scattered light from the nebula on angular distance from the star is more consistent with an inverse-square density law than with inverse 1.5 or inverse-cube laws. Assuming that the density is proportional to the inverse square of distance from the star, the scattering optical depth in blue light along a radius of 0.03 arcsec is no more than 0.15 + or - 0.05. Future observations of the wavelength dependence of polarization will allow a determination of grain size.

Mcmillan, R. S.↗
NASA NTRS1990

On the formation and expansion of H II regions

The evolution of H II regions in spherical clouds with small, constant-density cores and power-law density distributions r exp -w outside the core is described analytically. It is found that there is a critical exponent above which the cloud becomes completely ionized. Its value in the formation phase depends on the initial conditions, but it has a well-defined value w(crit) = 3/2 during the expansion phase. For w less than w(crit), the radius of the H II region grows at a given rate, while neutral mass accumulates in the interphase between the ionization and shock fronts. For w = w(crit), the fronts move together without mass accumulation. Cases with w greater than w(crit) lead to the champagne phase: once the cloud is fully ionized, the expansion becomes supersonic. For self-gravitating disks without magnetic fields, the main features include a new 'variable-size' stage. The initial shape of the H II region has a critical point beyond which the disk becomes completely ionized.

Franco, Jose↗
NASA NTRS2022

Quantifying Feedback from Narrow Line Region Outflows in Nearby Active Galaxies. IV. The Effects of Different Density Estimates on the Ionized Gas Masses and Outflow Rates

Active galactic nuclei (AGN) can launch outflows of ionized gas that may influence galaxy evolution, and quantifying their full impact requires spatially resolved measurements of the gas masses, velocities, and radial extents. We previously reported these quantities for the ionized narrow-line region outflows in six low-redshift AGN, where the gas velocities and extents were determined from Hubble Space Telescope long-slit spectroscopy. However, calculating the gas masses required multicomponent photoionization models to account for radial variations in the gas densities, which span ∼6 orders of magnitude. To simplify this method for larger samples with less spectral coverage, we compare these gas masses with those calculated from techniques in the literature. First, we use a recombination equation with three different estimates for the radial density profiles. These include constant densities, those derived from [S ii], and power-law profiles based on constant values of the ionization parameter (U). Second, we use single-component photoionization models with power-law density profiles based on constant U, and allow U to vary with radius based on the [O iii]/Hβ ratios. We find that assuming a constant density of nH = 10(^2) cm(^−3) overestimates the gas masses for all six outflows, particularly at small radii where the outflow rates peak. The use of [S ii] marginally matches the total gas masses, but also overestimates at small radii. Overall, single-component photoionization models where U varies with radius are able to best match the gas mass and outflow rate profiles when there are insufficient emission lines to construct detailed models.

Mitchell Revalski↗
NASA NTRS1995

Models of far-IR sources at W3-IRS4 and W3-IRS5

Far-IR continuum maps made with the KAO of W3 at 47 and 95 micrometers show peaks identified with the mid-IR sources IRS4 and IRS5 and extended emission identified with the radio source W3A. We have taken the steepest radial scan profiles from the peaks at IRS4 and IRS5 to represent the objects as spherical clouds. Spherically symmetric models were created in an attempt to match the observed profiles. Radiative transfer dust cloud models heated by central protostars or stars do not match extended emission in the 47 micrometers scan profile for any assumed density distribution for either source. However, both sources can be approximately fit by power law density profiles and ad hoc temperature profiles which are much less steep than those by the single source radiative transfer models. One possible physical explanation for the shallow temperature gradients suggested by the data is heating by a distribution of luminosity sources.

Campbell, M. F.↗