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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dilated causal convolutional neural networks for forecasting zone airflow to estimate short-term energy consumption

Here this paper investigates the use of dilated causal convolutional neural networks for fine- grained temporal forecasting of building zone states. Specifically, we build and evaluate models using a small set of exogenous features (e.g., external temperature) to autoregressively predict zone airflow setpoints every minute for a 24-hour prediction window. We carefully explore the trade-off between generality and specificity in these models, training and evaluating them based on zone, zone type, month, season, and combinations thereof. When evaluated for a commercial office building in Eastern Washington with 16 zones served by variable air volume air handling units, we find that the highest performance comes from a zone-specific, season-agnostic approach; with it, we obtain an R 2 of 0.704 (averaged over zones) and an average normalized root mean square error (nRMSE) of 0.111. In contrast, the most general model (trained across all zones and seasons) yields an R 2 of only 0.416 and a nRMSE of 0.168, while a baseline zone-specific reduced order model obtains 0.443 R 2 and 0.159 nRMSE. We also report on factors affecting airflow forecasting performance, on the ability of models trained on a specific zone to generalize to other zones, and on the capability of those models trained on a specific month to generalize to other months.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

A Comprehensive Simulation Study to Evaluate Future Vehicle Energy and Cost Reduction Potential

Under the umbrella of EERE’s Office of Sustainable Transportation, the U.S. Department of Energy’s (DOE) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) seek to develop sustainable, affordable, and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate the potential for vehicle-level fuel savings is critical to understanding DOE’s impact and success in this mission For this study, Argonne National Laboratory (Argonne) simulated technologies funded by VTO and HFTO for light-duty vehicles across the following: Powertrain configurations (conventional, power-split hybrid electric vehicle, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles); Vehicle classes (compact car, mid-size car, small sport utility vehicle [SUV], mid-size SUV, and pickup truck); Fuels (gasoline, diesel, natural gas, hydrogen, and battery electricity). We assessed each technology for five different timeframes: laboratory years 2015 (reference), 2020, 2025, 2030, and 2045. We assumed a delay of 5 years between laboratory year and model year (i.e., the year the technology is introduced into production). Finally, we included uncertainties for both technology performance and cost by considering two cases (note that these cases are not intended as predictions of future performance): Low case , aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on business as usual regulatory and market environments; High case , aligned with aggressive technology advancements based on research and development (R&D) targets developed through support by VTO and HFTO. We estimated the energy and cost impact of different technologies using Autonomie (Argonne undated), a state-of-the-art vehicle system simulation tool developed by Argonne and used to assess the energy consumption, performance, and cost of multiple advanced vehicle technologies. The tool comprises a complete set of vehicle models to assess impacts across a wide range of classes (from light- to heavy-duty), powertrain configurations (from conventional to hybrid electric vehicles [HEVs], fuel cell electric vehicles [FCEVs], plug-in hybrid electric vehicles [PHEVs], and battery electric vehicles [BEVs]), components, and control strategies, including vehicle-level and component-level controls developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies: analyzing various component technologies, sizing powertrain components to meet different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route-based vehicle energy control, and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions made and the vehicle-level energy consumption benefits and associated technology costs estimated for various types of light-duty vehicles. Details regarding vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

08 HYDROGEN↗
NASA NTRS1994

A Coupled-Cluster Study of XON (X=H, F, Cl), and the XON (left and right arrow) XNO Transition States

The XON molecules (X=H, F, and Cl) have been studied using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T), in conjunction with a double polarized triple-zeta basis set. The equilibrium geometries, dipole moments, harmonic vibrational frequencies and infrared intensities have been predicted. The X-O bond distance is shown to be abnormally long for X=F and Cl, and this is attributed to the degree of ionic bonding and the stability of NO(+). Based on Mulliken population analyses, it is shown that there is a significant degree of X(-), ON(+) ionic bonding character for FON and ClON, whereas for HON the ionic character is reduced and best described as H(+), NO(-). The stability of the XON molecule relative to the XNO isomer is shown to increase in the order HON<FON<ClON, although even ClON is 27.0 plus or minus 1.0 kcal/mol (0 K) less stable than ClNO. The XON (left and right arrow) XNO transition states are also investigated. FON and ClON possess the lowest barrier heights to isomerization (7.2 plus or minus 1.0 kcal/mol at 0 K), but these are sufficiently large to suggest that isomerization should not be rapid at low temperatures.

Lee, Timothy↗
NASA NTRS1995

Determination of Eros Physical Parameters for Near Earth Asteroid Rendezvous Orbit Phase Navigation

Navigation of the orbit phase of the Near Earth steroid Rendezvous (NEAR) mission will re,quire determination of certain physical parameters describing the size, shape, gravity field, attitude and inertial properties of Eros. Prior to launch, little was known about Eros except for its orbit which could be determined with high precision from ground based telescope observations. Radar bounce and light curve data provided a rough estimate of Eros shape and a fairly good estimate of the pole, prime meridian and spin rate. However, the determination of the NEAR spacecraft orbit requires a high precision model of Eros's physical parameters and the ground based data provides only marginal a priori information. Eros is the principal source of perturbations of the spacecraft's trajectory and the principal source of data for determining the orbit. The initial orbit determination strategy is therefore concerned with developing a precise model of Eros. The original plan for Eros orbital operations was to execute a series of rendezvous burns beginning on December 20,1998 and insert into a close Eros orbit in January 1999. As a result of an unplanned termination of the rendezvous burn on December 20, 1998, the NEAR spacecraft continued on its high velocity approach trajectory and passed within 3900 km of Eros on December 23, 1998. The planned rendezvous burn was delayed until January 3, 1999 which resulted in the spacecraft being placed on a trajectory that slowly returns to Eros with a subsequent delay of close Eros orbital operations until February 2001. The flyby of Eros provided a brief glimpse and allowed for a crude estimate of the pole, prime meridian and mass of Eros. More importantly for navigation, orbit determination software was executed in the landmark tracking mode to determine the spacecraft orbit and a preliminary shape and landmark data base has been obtained. The flyby also provided an opportunity to test orbit determination operational procedures that will be used in February of 2001. The initial attitude and spin rate of Eros, as well as estimates of reference landmark locations, are obtained from images of the asteroid. These initial estimates are used as a priori values for a more precise refinement of these parameters by the orbit determination software which combines optical measurements with Doppler tracking data to obtain solutions for the required parameters. As the spacecraft is maneuvered; closer to the asteroid, estimates of spacecraft state, asteroid attitude, solar pressure, landmark locations and Eros physical parameters including mass, moments of inertia and gravity harmonics are determined with increasing precision. The determination of the elements of the inertia tensor of the asteroid is critical to spacecraft orbit determination and prediction of the asteroid attitude. The moments of inertia about the principal axes are also of scientific interest since they provide some insight into the internal mass distribution. Determination of the principal axes moments of inertia will depend on observing free precession in the asteroid's attitude dynamics. Gravity harmonics are in themselves of interest to science. When compared with the asteroid shape, some insight may be obtained into Eros' internal structure. The location of the center of mass derived from the first degree harmonic coefficients give a direct indication of overall mass distribution. The second degree harmonic coefficients relate to the radial distribution of mass. Higher degree harmonics may be compared with surface features to gain additional insight into mass distribution. In this paper, estimates of Eros physical parameters obtained from the December 23,1998 flyby will be presented. This new knowledge will be applied to simplification of Eros orbital operations in February of 2001. The resulting revision to the orbit determination strategy will also be discussed.

Miller, J. K.↗
DOE OSTI2023

Gaussian process hydrodynamics

Abstract We present a Gaussian process (GP) approach, called Gaussian process hydrodynamics (GPH) for approximating the solution to the Euler and Navier-Stokes (NS) equations. Similar to smoothed particle hydrodynamics (SPH), GPH is a Lagrangian particle-based approach that involves the tracking of a finite number of particles transported by a flow. However, these particles do not represent mollified particles of matter but carry discrete/partial information about the continuous flow. Closure is achieved by placing a divergence-free GP prior ξ on the velocity field and conditioning it on the vorticity at the particle locations. Known physics (e.g., the Richardson cascade and velocity increment power laws) is incorporated into the GP prior by using physics-informed additive kernels. This is equivalent to expressing ξ as a sum of independent GPs ξ l , which we call modes, acting at different scales (each mode ξ l self-activates to represent the formation of eddies at the corresponding scales). This approach enables a quantitative analysis of the Richardson cascade through the analysis of the activation of these modes, and enables us to analyze coarse-grain turbulence statistically rather than deterministically. Because GPH is formulated by using the vorticity equations, it does not require solving a pressure equation. By enforcing incompressibility and fluid-structure boundary conditions through the selection of a kernel, GPH requires significantly fewer particles than SPH. Because GPH has a natural probabilistic interpretation, the numerical results come with uncertainty estimates, enabling their incorporation into an uncertainty quantification (UQ) pipeline and adding/removing particles (quanta of information) in an adapted manner. The proposed approach is suitable for analysis because it inherits the complexity of state-of-the-art solvers for dense kernel matrices and results in a natural definition of turbulence as information loss. Numerical experiments support the importance of selecting physics-informed kernels and illustrate the major impact of such kernels on the accuracy and stability. Because the proposed approach uses a Bayesian interpretation, it naturally enables data assimilation and predictions and estimations by mixing simulation data and experimental data.

Mathematics↗
NASA NTRS2005

Operating Deflection Shapes for the Space Shuttle Partial Stack Rollout

In November of 2003 a rollout test was performed to gain a better understanding of the dynamic environment for the Space Shuttle during transportation from the Vehicle Assembly Building to the launch pad. This was part of a study evaluating the methodology for including the rollout dynamic loads in the Space Shuttle fatigue life predictions. The rollout test was conducted with a partial stack consisting of the Crawler Transporter, Mobile Launch Platform, and the Solid Rocket Boosters with an interconnecting crossbeam. Instrumentation included over 100 accelerometers. Data was recorded for steady state speeds, start-ups and stops, and ambient wind excitations with the vehicle at idle. This paper will describe the operating deflection shape analysis performed using the measured acceleration response data. The response data for the steady state speed runs were dominated by harmonics of the forcing frequencies, which were proportional to the vehicle speed. Assuming a broadband excitation for the wind, analyses of the data sets with the vehicle at idle were used to estimate the natural frequencies and corresponding mode shapes. Comparisons of the measured modal properties with numerical predictions are presented.

Buehrle, Ralph D.↗
DOE OSTI2021

Electron-Induced Proton Transfer

The pathway of activationless proton transfer induced by an electron-transfer reaction is studied theoretically. Long-range electron transfer produces highly nonequilibrium medium polarization that can drive proton transfer through an activationless transition during the process of thermalization, dynamically altering the screening of the electron–proton Coulomb interaction by the medium. The cross electron–proton reorganization energy is the main energy parameter of the theory, which exceeds in magnitude the proton-transfer reorganization energy roughly by the ratio of the electron-transfer to proton-transfer distance. This parameter, which can be either positive or negative, is related to the difference in pK a values in two electron-transfer states. The relaxation time of the medium is on the (sub)picosecond time scale, which establishes the characteristic time for activationless proton transfer. Microscopic calculations predict substantial retardation of the collective relaxation dynamics compared to the continuum estimates due to the phenomenology analogous to de Gennes narrowing. As a result, nonequilibrium medium configuration promoting proton transfer can be induced by either thermal or photoinduced charge transfer.

14 SOLAR ENERGY↗
DOE OSTI2021

A framework for quantifying uncertainty in DFT energy corrections

In this work, we demonstrate a method to quantify uncertainty in corrections to density functional theory (DFT) energies based on empirical results. Such corrections are commonly used to improve the accuracy of computational enthalpies of formation, phase stability predictions, and other energy-derived properties, for example. We incorporate this method into a new DFT energy correction scheme comprising a mixture of oxidation-state and composition-dependent corrections and show that many chemical systems contain unstable polymorphs that may actually be predicted stable when uncertainty is taken into account. We then illustrate how these uncertainties can be used to estimate the probability that a compound is stable on a compositional phase diagram, thus enabling better-informed assessments of compound stability.

42 ENGINEERING↗
DOE OSTI2025

Quantifying uncertainty in machine learning for nuclear binding energy

Techniques from artificial intelligence and machine learning are increasingly employed in nuclear theory; however, the uncertainties that arise from the complex parameter manifold encoded by the neural networks are often overlooked. Epistemic uncertainties arising from training the same network multiple times for an ensemble of initial weight sets offer a first insight into the confidence of machine learning predictions, but they often come with a high computational cost. Instead, we apply a single-model uncertainty quantification method called Δ-UQ that gives epistemic uncertainties with one-time training. Here, we demonstrate our approach on a two-feature model of nuclear binding energies per nucleon with proton and neutron number pairs as inputs. We show that Δ-UQ can produce reliable and self-consistent epistemic uncertainty estimates and can be used to assess the degree of confidence in predictions made with deep neural networks.

Huang, Mengyao [Lawrence Livermore National Labora↗
NASA NTRS1982

Real time estimation and prediction of ship motions using Kalman filtering techniques

A landing scheme for landing V/STOL aircraft on rolling ships was sought using computerized simulations. The equations of motion as derived from hydrodynamics, their form and the physical mechanisms involved and the general form of the approximation are discussed. The modeling of the sea is discussed. The derivation of the state-space equations for the DD-963 destroyer is described. Kalman filter studies are presented and the influence of the various parameters is assessed. The effect of various modeling parameters on the rms error is assessed and simplifying conclusions are drawn. An upper bound for prediction time of about five seconds is established, with the exception of roll, which can be predicted up to ten seconds ahead.

Triantafyllou, M. A.↗
NASA NTRS2000

Low-dimensional Representation of Error Covariance

Ensemble and reduced-rank approaches to prediction and assimilation rely on low-dimensional approximations of the estimation error covariances. Here stability properties of the forecast/analysis cycle for linear, time-independent systems are used to identify factors that cause the steady-state analysis error covariance to admit a low-dimensional representation. A useful measure of forecast/analysis cycle stability is the bound matrix, a function of the dynamics, observation operator and assimilation method. Upper and lower estimates for the steady-state analysis error covariance matrix eigenvalues are derived from the bound matrix. The estimates generalize to time-dependent systems. If much of the steady-state analysis error variance is due to a few dominant modes, the leading eigenvectors of the bound matrix approximate those of the steady-state analysis error covariance matrix. The analytical results are illustrated in two numerical examples where the Kalman filter is carried to steady state. The first example uses the dynamics of a generalized advection equation exhibiting nonmodal transient growth. Failure to observe growing modes leads to increased steady-state analysis error variances. Leading eigenvectors of the steady-state analysis error covariance matrix are well approximated by leading eigenvectors of the bound matrix. The second example uses the dynamics of a damped baroclinic wave model. The leading eigenvectors of a lowest-order approximation of the bound matrix are shown to approximate well the leading eigenvectors of the steady-state analysis error covariance matrix.

Tippett, Michael K.↗
NASA NTRS2011

Incorporating Ameriflux Data into LVT

This paper describes a new generic data reader that was developed in Fortran to handle the Ameriflux data for the LIS Verification Toolkit (LVT). Researchers at the Hydrological Sciences Branch of NASA Goddard Space Flight Center have created a high resolution land surface modeling and data assimilation system known as the Land Information System (LIS), which provides an infrastructure to integrate state-of-the-art land surface models, data assimilation algorithms, observations of land surface from satellite and remotely sensed platforms to provide estimates of land surface conditions such as soil moisture, evaporation, snowpack and runoff. These model predictions are typically evaluated by comparing them with data from observational networks. The observational data; however, are usually available in disparate data formats and require significant effort to process them into a structure amenable for use with the model data. The motivation to develop a uniform approach for land surface verification as a way to alleviate these processing efforts has led to the development of LVT which is designed to enable the rapid evaluation of land surface modeling and analysis products from LIS. LVT focuses on the use of observational datasets in their native format. As the formats of these datasets vary widely, a major part of LVT is creating programs to read and process the native datasets. The primary goal of this project is to enhance LVT capabilities by incorporating observational datasets from Ameriflux

Georgiev, Teodor↗
NASA NTRS2021

Transient evolution of basal drag during glacier slip

Glacier slip is usually described using steady-state sliding laws that relate drag, slip velocity and effective pressure, but where subglacial conditions vary rapidly transient effects may influence slip dynamics. Here we use results from a set of laboratory experiments to examine the transient response of glacier slip over a hard bed to velocity perturbations. The drag and cavity evolution from lab experiments are used to parameterize a rate-and-state drag model that is applied to observations of surface velocity and ice-bed separation from the Greenland ice sheet. The drag model successfully predicts observed lags between changes in ice-bed separation and sliding speed. These lags result from the time (or displacement) required for cavities to evolve from one steady-state condition to another. In comparing drag estimates resulting from applying rate-and-state and steady-state slip laws to transient data, we find the peaks in drag are out of phase. This suggests that in locations where subglacial conditions vary on timescales shorter than those needed for cavity adjustment transient slip processes control basal drag.

Glacier↗
NASA NTRSDate not supplied

Remote Guidance of a Mothership-Daughtership Formation for Asteroid Exploration

This work presents an application of Model Predictive Control to maintain long-term stability for a three-satellite formation around the asteroid Apophis via remote guidance. The mothership and two daughterships perform tomographic characterization with a bistatic radar. The mothership estimates the states of all three spacecraft and determines the necessary control to maintain the desired antipodal daughtership states. An Extended Kalman Filter estimates the mothership states. A Batch Least Squares algorithm estimates the daughtership states and performs maneuver reconstruction for the mothership-administered thrust commands under thruster and gravitational uncertainty. The formulation maintains the antipodal angle with growing instability amidst these uncertainties.

Guidance↗
DOE OSTI2021

Characterization of Extremes and Compound Impacts: Applications of Machine Learning and Interpretable Neural Networks

Focal Area: This white paper responds to Focal area III by exploring data fusion, learning and explainable AI methods in characterizing hydrological extremes and interconnections. It also addresses Focal area II by using probabilistic AI and ensemble ML for predicting extremes and compound extremes. Science Challenge: A key question associated with the integrated water (or hydrological) cycle grand challenge in the Earth and Environmental Systems Sciences Division (EESSD) strategic plan, is how the frequency and intensity of hydrological events will change. Prediction of the tail behavior (extremes) of the hydrological cycle is especially challenging, because of their stochasticity and low probability. These extreme events and their compound impacts have significant societal and economic consequences. It is anticipated for the next-generation Earth System models (ESMs), that model predictability of the water cycle will improve with increased resolution (e.g., regionally refined E3SM), advanced software and computational architectures, and improved model physics based on the data from ARM measurements and high-fidelity models. However, the challenges for predictability of low-probability high-impact extreme events will unlikely be alleviated with conventional modeling and data-driven approaches, as ESMs are calibrated largely for capturing the high-frequency mean climate states. Recent AI and ML applications have shown great potential in quantifying well-defined climate extremes (e.g., supervised learning of tropical cyclones/atmospheric rivers by ClimateNet1) but few efforts are dedicated to compound events, extreme drivers and uncertainty estimation. We envision the opportunity to develop and apply ML and interpretable AI methods extended on the existing efforts, specifically, for: (1) identification of compound extremes, (2) diagnosing drivers of extremes, (3) bias correction in extreme predictions and (4) probabilistic modeling of extremes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Toward The Development of Hailstorm Climatologies Derived From Reanalyses and Infared/Passive Microwave Satellite Imagers

Geostationary satellite imagers, such as those of the Geostationary Operational Environmental Satellite (GOES) and Meteosat series, provide both historical and near-real-time observations of cloud top patterns that are commonly associated with severe convection. Environmental conditions favorable for severe weather are thought to be represented well by reanalyses. Predicting exactly where convection and costly storm hazards like hail will occur using models or satellite imagery alone, however, is extremely challenging. The multivariate combination of satellite-observed cloud patterns with reanalysis environmental parameters, linked to United States Next Generation Weather Radar- (NEXRAD-) estimated Maximum Expected Size of Hail (MESH) using a deep neural network (DNN), enables estimation of potentially severe hail likelihood for any observed storm cell. These estimates are specifically designed to make hail likelihood distinctions based on satellite-indicated points of deep convection within environments favorable for storm development. We seek an approach that can be used to estimate climatological hailstorm frequency and risk throughout the historical satellite data record. This presentation demonstrates that statistical distributions of convective parameters from satellite and reanalysis show separation between non-severe/severe hailstorm classes for predictors including overshooting cloud top temperature and area characteristics, convective available potential energy, vertical wind shear, 500 hPa temperature, mid-level lapse rate, precipitable water, and convective inhibition. These complex, multivariate predictor relationships are exploited within a DNN to produce a hail likelihood metric with a critical success index of 0.504 and Heidke skill score of 0.403, which is exceptional among recent analogous hail studies. Furthermore, applications of the DNN to select case studies demonstrate good qualitative agreement between hail likelihood and MESH. These hail classifications are aggregated across an 11-year GOES-12/13 image database to derive a hail frequency and severity climatology, which denotes the Central Plains, the Midwest, and northwestern Mexico as being the most hail-prone regions within the domain studied. Opportunities for training and applying DNN-based hailstorm predictions to recently developed GOES-8/10/12/13/16 and Meteosat Second Generation convective storm detection and characterization climatologies over South America and South Africa, respectively, will also be presented.

Kristopher Bedka↗
NASA NTRS2008

Integration for Airborne Dust Prediction Systems and Vegetation Phenology to Track Pollen for Asthma Alerts in Public Health Decision Support Systems

The objective of the program is to assess the feasibility of combining a dust transport model with MODIS derived phenology to study pollen transport for integration with a public health decision support system. The use of pollen information has specifically be identified as a critical need by the New Mexico State Health department for inclusion in the Environmental Public Health Tracking (EPHT) program. Material and methods: Pollen can be transported great distances. Local observations of plan phenology may be consistent with the timing and source of pollen collected by pollen sampling instruments. The Dust REgional Atmospheric Model (DREAM) is an integrated modeling system designed to accurately describe the dust cycle in the atmosphere. The dust modules of the entire system incorporate the state of the art parameterization of all the major phases of the atmospheric dust life such as production, diffusion, advection, and removal. These modules also include effects of the particles size distribution on aerosol dispersion. The model was modified to use pollen sources instead of dust. Pollen release was estimated based on satellite-derived phenology of key plan species and vegetation communities. The MODIS surface reflectance product (MOD09) provided information on the start of the plant growing season, growth stage, and pollen release. The resulting deterministic model is useful for predicting and simulating pollen emission and downwind concentration to study details of phenology and meteorology and their dependencies. The proposed linkage in this project provided critical information on the location timing and modeled transport of pollen directly to the EPHT> This information is useful to support the centers for disease control and prevention (CDC)'s National EPHT and the state of New Mexico environmental public health decision support for asthma and allergies alerts.

Luvall, J. C.↗
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↗