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DOE OSTI2026

Pu(IV) quantification via visible–near-infrared absorption spectroscopy: tackling interferences using D-optimal design and partial least squares

Here, this study presents a novel analytical approach for quantifying Pu(IV) in glove box environments using fiber-optic-based visible–near-infrared absorption spectroscopy in combination with partial least squares regression (PLSR) and design of experiments. The method addresses significant challenges posed by overlapping spectral features arising from Nd(III), which is a common fission product impurity, and the speciation variability of Pu(IV) nitrato complexes in HNO 3 concentrations ranging from 2.5 to 11 M. A curated training set consisting of data from 20 samples was developed via D-optimal design to enable robust PLSR model calibration for Pu(IV) using the near-infrared band near 1050 nm. The training set was acquired from samples in cuvettes with a 1-cm path length and was used to build the PLSR model. The robustness of the model was validated with data collected using a dip probe with a 1-cm path length and varying Pu(IV) concentrations. The strong performance of the model indicates good model transfer from cuvette to dip probe and highlights the potential for in situ measurements and online monitoring of reactions in a crystallization reactor vessel. The results demonstrate that this combined spectroscopic and chemometric approach can accurately and simultaneously quantify Pu(IV) and HNO 3 , thereby offering a promising tool for real-time monitoring in process environments.

Actinide↗

DOE OSTI2019

Tracking DO 2 with Compensatory Reserve during Whole Blood Resuscitation in Baboons

Background Hemorrhagic shock can be mitigated by timely and accurate resuscitation designed to restore adequate delivery of oxygen (DO 2 ) by increasing cardiac output (CO). However, standard care of using systolic blood pressure (SBP) as a guide for resuscitation has proven ineffective and can be associated with increased morbidity. We have developed a novel vital sign called the compensatory reserve (CRM) generated from analysis of arterial pulse waveform feature changes that has been validated in experimental and clinical models of hemorrhage. We tested the hypothesis that thresholds of DO 2 could be accurately defined by CRM while avoiding over resuscitation during whole blood resuscitation following a 25% hemorrhage in non‐human primates. Methods To accomplish this, adult male baboons (n=12) were exposed to a progressive controlled hemorrhage that resulted in an average (± SD) maximal reduction of 601 ± 18 ml of their estimated circulating blood volume of 1,262 ± 64 ml based on body weight. Values of DO 2 were calculated as the product of CO times O 2 carrying capacity of hemoglobin (i.e., Hb content × 1.34). Results Average (± SD) CRM increased from 6 ± 5 % at the end of hemorrhage to 70 ± 7 % at the end of resuscitation. DO 2 of 12.1, 10.3, and 7.0 ml O 2 ·kg −1 ·min −1 were calculated at 0% (baseline), 12.5% and 25% blood loss. By linear regression, CRM values of 6% (decompensation), 35%, and 68% corresponded to calculated DO 2 values of 6.0, 9.2, and 12.1 ml O 2 ·kg −1 ·min −1 during resuscitation. As such, return of CRM to baseline during resuscitation with only ~ 450 ml provided adequate DO 2 (12.5 ml O 2 ·kg −1 ·min −1 ) while total blood volume replacement (~600 ml) resulted in over resuscitation as indicated by an average increase in SBP (+17 mmHg) and CO (+0.1 L/min) over baseline values. Conclusion Consistent with our hypothesis, thresholds of DO 2 were associated with specific CRM values. A target resuscitation CRM value of 70% minimized the requirement for whole blood, while avoiding over resuscitation. Furthermore, CRM at 0% provided a noninvasive metric for determining critical DO 2 at approximately 5.4 ml O 2 ·kg −1 ·min −1 . Support or Funding Information This research was supported in part by appointment of Ms. Koons to the Postgraduate Research Fellowship Program at the US Army Institute of Surgical Research administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the US Department of Energy and USAMRMC. Study funding was provided by a grant from the US Army Combat Casualty Care Research Program (D‐009‐2014‐USAISR). Linearregression of the relationship between DO 2 and compensatory reserve during whole blood resuscitation in baboons. Data are expressed as mean ± SE. image Linearregression of the relationship between DO 2 and compensatory reserve during whole blood resuscitation in baboons. Data are expressed as mean ± SE. This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Koons, Natalie Jane↗

NASA NTRS1984

Assessment of Galileo modal test results for mathematical model verification

The modal test program for the Galileo Spacecraft was completed at the Jet Propulsion Laboratory in the summer of 1983. The multiple sine dwell method was used for the baseline test. The Galileo Spacecraft is a rather complex 2433 kg structure made of a central core on which seven major appendages representing 30 percent of the total mass are attached, resulting in a high modal density structure. The test revealed a strong nonlinearity in several major modes. This nonlinearity discovered in the course of the test necessitated running additional tests at the unusually high response levels of up to about 21 g. The high levels of response were required to obtain a model verification valid at the level of loads for which the spacecraft was designed. Because of the high modal density and the nonlinearity, correlation between the dynamic mathematical model and the test results becomes a difficult task. Significant changes in the pre-test analytical model are necessary to establish confidence in the upgraded analytical model used for the final load verification. This verification, using a test verified model, is required by NASA to fly the Galileo Spacecraft on the Shuttle/Centaur launch vehicle in 1986.

Trubert, M.↗

NASA NTRS2000

Hover Testing of the NASA/Army/MIT Active Twist Rotor Prototype Blade

Helicopter rotor individual blade control promises to provide a mechanism for increased rotor performance and reduced rotorcraft vibrations and noise. Active material methods, such as piezoelectrically actuated trailing-edge flaps and strain-induced rotor blade twisting, provide a means of accomplishing individual blade control without the need for hydraulic power in the rotating system. Recent studies have indicated that controlled strain induced blade twisting can be attained using piezoelectric active fiber composite technology. In order to validate these findings experimentally, a cooperative effort between NASA Langley Research Center, the Army Research Laboratory, and the MIT Active Materials and Structures Laboratory has been developed. As a result of this collaboration an aeroelastically-scaled active-twist model rotor blade has been designed and fabricated for testing in the heavy gas environment of the Langley Transonic Dynamics Tunnel (TDT). The results of hover tests of the active-twist prototype blade are presented in this paper. Comparisons with applicable analytical predictions of active-twist frequency response in hovering flight are also presented.

Matthew L Wilbur↗

NASA NTRS2016

Clinical Outcome Metrics for Optimization of Robust Training

Introduction: The emphasis of this research is on the Human Research Program (HRP) Exploration Medical Capability's (ExMC) "Risk of Unacceptable Health and Mission Outcomes Due to Limitations of In-Flight Medical Capabilities." Specifically, this project aims to contribute to the closure of gap ExMC 2.02: We do not know how the inclusion of a physician crew medical officer quantitatively impacts clinical outcomes during exploration missions. The experiments are specifically designed to address clinical outcome differences between physician and non-physician cohorts in both near-term and longer-term (mission impacting) outcomes. Methods: Medical simulations will systematically compare success of individual diagnostic and therapeutic procedure simulations performed by physician and non-physician crew medical officer (CMO) analogs using clearly defined short-term (individual procedure) outcome metrics. In the subsequent step of the project, the procedure simulation outcomes will be used as input to a modified version of the NASA Integrated Medical Model (IMM) to analyze the effect of the outcome (degree of success) of individual procedures (including successful, imperfectly performed, and failed procedures) on overall long-term clinical outcomes and the consequent mission impacts. The procedures to be simulated are endotracheal intubation, fundoscopic examination, kidney/urinary ultrasound, ultrasound-guided intravenous catheter insertion, and a differential diagnosis exercise. Multiple assessment techniques will be used, centered on medical procedure simulation studies occurring at 3, 6, and 12 months after initial training (as depicted in the following flow diagram of the experiment design). Discussion: Analysis of procedure outcomes in the physician and non-physician groups and their subsets (tested at different elapsed times post training) will allow the team to 1) define differences between physician and non-physician CMOs in terms of both procedure performance (pre-IMM analysis) and overall mitigation of the mission medical impact (IMM analysis); 2) refine the procedure outcome and clinical outcome metrics themselves; 3) refine or develop innovative medical training products and solutions to maximize CMO performance; and 4) validate the methods and products of this experiment for operational use in the planning, execution, and quality assurance of the CMO training process The team has finalized training protocols and developed a software training/testing tool in collaboration with Butler Graphics (Detroit, MI). In addition to the "hands on" medical procedure modules, the software includes a differential diagnosis exercise (limited clinical decision support tool) to evaluate the diagnostic skills of participants. Human subject testing will occur over the next year.

Ebert, D.↗

NASA NTRS1986

Summary of AH-1G flight vibration data for validation of coupled rotor-fuselage analyses

Under a NASA research program designated DAMVIBS (Design Analysis Methods for VIBrationS), four U. S. helicopter industry participants (Bell Helicopter, Boeing Vertol, McDonnell Douglas Helicopter, and Sikorsky Aircraft) are to apply existing analytical methods for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. Bell Helicopter, as the manufacturer of the AH-1G, was asked to provide pertinent rotor data and to collect the OLS flight vibration data needed to perform the correlations. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM) developed by Bell which has been extensively documented and correlated with ground vibration tests.The AH-1G FEM was provided to each of the participants for use in their coupled rotor-fuselage analyses. This report describes the AH-1G OLS flight test program and provides the flight conditions and measured vibration data to be used by each participant in their correlation effort. In addition, the mechanical, structural, inertial and aerodynamic data for the AH-1G two-bladed teetering main rotor system are presented. Furthermore, modifications to the NASTRAN FEM of the fuselage structure that are necessary to make it compatible with the OLS test article are described. The AH-1G OLS flight test data was found to be well documented and provide a sound basis for evaluating currently existing analysis methods used for calculation of coupled rotor-fuselage vibrations.

Dompka, R. V.↗

DOE OSTI2022

Numerical modeling of ion transport and adsorption in porous media: A pore-scale study for capacitive deionization desalination

In this report a pore-scale model is presented to simulate the dynamic ion transport and adsorption processes in porous electrodes used for capacitive deionization (CDI). The Stokes equation governing water flow is solved using the lattice Boltzmann method and Nernst-Planck equation describing ion transport is solved using the finite volume method. The ion adsorption process is considered at the surface of carbon electrodes. After validation against analytical solutions and published results, the model is used to study the coupled water flow, ion transport and adsorption in both two-dimensional and three-dimensional porous CDI electrodes at the pore scale. The effect of electrode microstructure, electrical potential and flow velocity on the adsorption processes is quantitatively investigated, and the relative importance of various parameters is determined. The presented model can be a powerful numerical tool to quantitatively analyze ion transport and adsorption in porous electrodes, and may provide useful information for the design and optimization of CDI electrodes and operating conditions for desired desalination efficiency, water throughput and cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

A conservative, interface-resolved, compressible framework for the modeling and simulation of liquid/gas phase change

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. In conclusion, successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Large-scale computational polymer solubility predictions and applications to dissolution-based plastic recycling

Dissolution-based plastic recycling is a promising approach to separate and recover high quality pure polymer resins from multicomponent plastic waste by exploiting differences in polymer solubility. The design of a dissolution-based polymer recycling process requires the selection of appropriate solvent systems and operating temperatures to dissolve only target polymers. Determining these parameters experimentally is challenging due to the wide range of solvents and temperatures possible for a given set of target polymers. In this work, we report a computational scheme that employs molecular dynamics simulations and the Conductor-like Screening Model for Realistic Solvents to predict polymer solubilities. Using this scheme, we established a computational solubility database for 8 common polymers and 1007 solvents at multiple temperatures and measured selected solubilities experimentally to validate computational predictions. Analysis of functional groups within this large database then provides chemical heuristics relating the molecular structures of good and non-solvents for selected polymers. We further developed a tool that automates the selection of solvents for all possible sequences in which target polymers can be selectively dissolved to guide the design of dissolution-based plastic recycling processes. Here, we demonstrate the application of these methods via multiple experimental case studies of representative dissolution-based polymer recycling processes in which pure polymer resins were successfully recovered from physical mixtures of polymers.

42 ENGINEERING↗

DOE OSTI2018

Capacity Market Model Considering Flexible Resource Requirements

With increasing installations of renewable generation, such as wind and solar, electric power systems need significant amounts of flexible resources to provide fast responses to mitigate the additional variability and uncertainty in generation. Current market designs have been shown to be insufficient in their mechanisms to compensate flexible resources for their services. Ancillary service markets can cover some of these costs, but they are likely not enough to attract additional flexible resources into the system. Although some independent system operators have started to design markets for flexible resources, their focus is on the short-term operating time horizon. This time horizon has significant real-time price uncertainties for flexible resources and might provide insufficient motivation for them to participate in the market. The capacity market has traditionally been the incentive to invest in new generation resources. Therefore, if a system needs new flexible resources, it is necessary to introduce flexible resource requirements into the capacity market to directly attract more flexible resource investment. This paper proposes a simplified capacity market model including flexible resource requirements. Case studies are examined to validate the proposed method.

17 WIND ENERGY↗

NASA NTRS1989

Structural weights analysis of advanced aerospace vehicles using finite element analysis

A conceptual/preliminary level structural design system has been developed for structural integrity analysis and weight estimation of advanced space transportation vehicles. The system includes a three-dimensional interactive geometry modeler, a finite element pre- and post-processor, a finite element analyzer, and a structural sizing program. Inputs to the system include the geometry, surface temperature, material constants, construction methods, and aerodynamic and inertial loads. The results are a sized vehicle structure capable of withstanding the static loads incurred during assembly, transportation, operations, and missions, and a corresponding structural weight. An analysis of the Space Shuttle external tank is included in this paper as a validation and benchmark case of the system.

Bush, Lance B.↗

NASA NTRS1990

Scaling effects in the static and dynamic response of graphite-epoxy beam-columns

Scale model technology represents one method of investigating the behavior of advanced, weight-efficient composite structures under a variety of loading conditions. It is necessary, however, to understand the limitations involved in testing scale model structures before the technique can be fully utilized. These limitations, or scaling effects, are characterized. in the large deflection response and failure of composite beams. Scale model beams were loaded with an eccentric axial compressive load designed to produce large bending deflections and global failure. A dimensional analysis was performed on the composite beam-column loading configuration to determine a model law governing the system response. An experimental program was developed to validate the model law under both static and dynamic loading conditions. Laminate stacking sequences including unidirectional, angle ply, cross ply, and quasi-isotropic were tested to examine a diversity of composite response and failure modes. The model beams were loaded under scaled test conditions until catastrophic failure. A large deflection beam solution was developed to compare with the static experimental results and to analyze beam failure. Also, the finite element code DYCAST (DYnamic Crash Analysis of STructure) was used to model both the static and impulsive beam response. Static test results indicate that the unidirectional and cross ply beam responses scale as predicted by the model law, even under severe deformations. In general, failure modes were consistent between scale models within a laminate family; however, a significant scale effect was observed in strength. The scale effect in strength which was evident in the static tests was also observed in the dynamic tests. Scaling of load and strain time histories between the scale model beams and the prototypes was excellent for the unidirectional beams, but inconsistent results were obtained for the angle ply, cross ply, and quasi-isotropic beams. Results show that valuable information can be obtained from testing on scale model composite structures, especially in the linear elastic response region. However, due to scaling effects in the strength behavior of composite laminates, caution must be used in extrapolating data taken from a scale model test when that test involves failure of the structure.

Jackson, Karen E.↗

NASA NTRSDate not supplied

Cislunar Trajectory Design and Maneuver Autonomy for NASA's Moon to Mars Architecture

NASA’s Moon to Mars architecture is an ambitious roadmap of manned cislunar and deep space exploration. The extensive amount of orbital assets required will place a significant burden on ground-based resources, such as communication networks and operations facilities. Spacecraft autonomy is essential for maintaining a vast number of complex missions beyond Earth orbit. To achieve full autonomy, spacecraft must be able to employ methods of robust maneuver design without an explicit dependence on commands sent from the ground. This level of autonomy is needed not only for stationkeeping, but also for outbound transfers. To address the need of spacecraft maneuver design autonomy, this work investigates the use of neural networks (NNs) in a supervised learning environment. A supervised learning approach for NNs allows for a curated training data set, consisting exclusively of perturbations applied to a desired mission concept of operations (ConOps). The proposed approach allows humans on the ground to design a specific mission ConOps before flight, then employ NNs to fly the mission robustly and autonomously. This investigation numerically tests maneuver autonomy in four highly sensitive regions of flight: orbit raising, translunar injection burns, powered lunar flybys, and invariant manifold insertion burns. These straining cases are contextualized by testing them in a demonstration mission, targeting an Earth-Moon L3 orbit. The study first establishes feasibility by automating impulsive burn maneuvers. However, some guidance algorithms will need more intensive commands, such as inertial pointing and angular rates. To validate this method, NN maneuver autonomy is applied to a finite burn model of the demonstration mission. The use of sequential, mission specific maneuvers provide an appropriate testbed to demonstrate the robustness of a NN trained on feasible perturbed states. Moreover, these scenarios provide preliminary proof-of-concept for fully autonomous missions that execute maneuvers without dependence upon explicit command uplinks. As a result, the technological advancement proposed in this work may significantly ease the strain on ground-based mission operations. This would enable complex and autonomous mission execution in cislunar and deep space regimes, filling a technology gap required to support future manned missions.

NASA↗

DOE OSTI2018

Capacity Market Model Considering Flexible Resource Requirements: Preprint

17 WIND ENERGY↗

NASA NTRS1999

Unstructured Grid Euler Method Assessment for Longitudinal and Lateral/Directional Aerodynamic Performance Analysis of the HSR Technology Concept Airplane at Supersonic Cruise Speed

Unstructured grid Euler computations, performed at supersonic cruise speed, are presented for a High Speed Civil Transport (HSCT) configuration, designated as the Technology Concept Airplane (TCA) within the High Speed Research (HSR) Program. The numerical results are obtained for the complete TCA cruise configuration which includes the wing, fuselage, empennage, diverters, and flow through nacelles at M (sub infinity) = 2.4 for a range of angles-of-attack and sideslip. Although all the present computations are performed for the complete TCA configuration, appropriate assumptions derived from the fundamental supersonic aerodynamic principles have been made to extract aerodynamic predictions to complement the experimental data obtained from a 1.675%-scaled truncated (aft fuselage/empennage components removed) TCA model. The validity of the computational results, derived from the latter assumptions, are thoroughly addressed and discussed in detail. The computed surface and off-surface flow characteristics are analyzed and the pressure coefficient contours on the wing lower surface are shown to correlate reasonably well with the available pressure sensitive paint results, particularly, for the complex flow structures around the nacelles. The predicted longitudinal and lateral/directional performance characteristics for the truncated TCA configuration are shown to correlate very well with the corresponding wind-tunnel data across the examined range of angles-of-attack and sideslip. The complementary computational results for the longitudinal and lateral/directional performance characteristics for the complete TCA configuration are also presented along with the aerodynamic effects due to empennage components. Results are also presented to assess the computational method performance, solution sensitivity to grid refinement, and solution convergence characteristics.

Ghaffari, Farhad↗

DOE OSTI2023

A fast Monte Carlo cell-by-cell simulation for radiobiological effects in targeted radionuclide therapy using pre-calculated single-particle track standard DNA damage data

Introduction: We developed a new method that drastically speeds up radiobiological Monte Carlo radiation-track-structure (MC-RTS) calculations on a cell-by-cell basis. Methods: The technique is based on random sampling and superposition of single-particle track (SPT) standard DNA damage (SDD) files from a “pre-calculated” data library, constructed using the RTS code TOPAS-nBio, with “time stamps” manually added to incorporate dose-rate effects. This time-stamped SDD file can then be input into MEDRAS, a mechanistic kinetic model that calculates various radiation-induced biological endpoints, such as DNA double-strand breaks (DSBs), misrepairs and chromosomal aberrations, and cell death. As a benchmark validation of the approach, we calculated the predicted energy-dependent DSB yield and the ratio of direct-to-total DNA damage, both of which agreed with published in vitro experimental data. We subsequently applied the method to perform a superfast cell-by-cell simulation of an experimental in vitro system consisting of neuroendocrine tumor cells uniformly incubated with 177 Lu. Results and discussion: The results for residual DSBs, both at 24 and 48 h post-irradiation, are in line with the published literature values. Our work serves as a proof-of-concept demonstration of the feasibility of a cost-effective “in silico clonogenic cell survival assay” for the computational design and development of radiopharmaceuticals and novel radiotherapy treatments more generally.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2020

Bounded motion design in the Earth zonal problem using differential algebra based normal form methods

Establishing long-term relative bounded motion between orbits in perturbed dynamics is a key challenge in astrodynamics to enable cluster flight with minimum propellant expenditure. Herein, we present an approach that allows for the design of long-term relative bounded motion considering a zonal gravitational model. Entire sets of orbits are obtained via high-order Taylor expansions of Poincarè return maps about reference fixed points. The high-order normal form algorithm is used to determine a change in expansion variables of the map into normal form space, in which the phase space behavior is circular and can be easily parameterized by action–angle coordinates. The action–angle representation of the normal form coordinates is then used to parameterize the original Poincarè return map and average it over a full phase space revolution by a path integral along the angle parameterization. As a result, the averaged nodal period and drift in the ascending node are obtained, for which the bounded motion conditions are straightforwardly imposed. Sets of highly accurate bounded orbits are obtained, extending over several thousand kilometers, and valid for decades.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Three-dimensional cooperative inversion of airborne magnetic and gravity gradient data using deep-learning techniques

Using multiple geophysical methods has become a prevailing approach in numerous geophysical applications to investigate subsurface structures and parameters. These multimethod-based exploration strategies have the potential to greatly diminish uncertainties and ambiguities encountered during geophysical data analysis and interpretation. One of the applications is the cooperative inversion of airborne magnetic and gravity gradient data for the interpretation of data obtained in mineral, oil and gas, and geothermal explorations. In this paper, a unified cooperative inversion framework is designed by combining the standard separate inversions with a deep neural network (DNN), which serves as the link between different types of data. A well-trained DNN takes the separately inverted susceptibility and density models as the inputs and provides improved models that will be used as the initial models of deterministic inversions. A two-round iteration strategy is adopted to guarantee the reasonability of the recovered models and overall efficiency of the inversion. In addition, this deep-learning (DL)-based framework demonstrates excellent generalization abilities when tested on models that are entirely distinct from the training data sets. The framework can easily incorporate multiphysics without necessitating any structural changes to the network. Synthetic experiments validate that our DL-based method outperforms conventional separate inversions and cross-gradient-based joint inversion in view of the accuracy of the recovered models and inversion efficiency. Successful application to field data further verifies the effectiveness of our DL-based method.

Geochemistry & Geophysics↗