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DOE OSTI2021

Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur-Donating Ligands

The separation of trivalent lanthanides and actinides is challenging because of their similar sizes and charge densities. S-donating extractants have shown significant selectivity for trivalent actinides over lanthanides, with single-stage americium/ lanthanide separation efficiencies for some thiol-based extractants reported at >99.999%. While such separations could transform the nuclear waste management landscape, these systems are often limited by the hydrolytic and radiolytic stability of the extractant. Progress away from thiol-based systems is limited by the poorly understood and complex interactions of these extractants in organic phases, where molecular aggregation and micelle formation obfuscates assessment of the metal–extractant coordination environment. Because S-donating thioethers are generally more resistant to hydrolysis and oxidation and the aqueous phase coordination chemistry is anticipated to lack complications brought on by micelle formation, we have considered three thioethers, 2,2'-thiodiacetic acid (TDA), (2R,5S)- tetrahydrothiophene-2,5-dicarboxylic acid, and 2,5-thiophenedicarboxylic acid (TPA), as possible trivalent actinide selective reagents. Formation constants, extended X-ray absorption fine structure spectroscopy, and computational studies were completed for thioether complexes with a variety of trivalent lanthanides and actinides including Nd, Eu, Tb, Am, Cm, Bk, and Cf. TPA was found to have moderately higher selectivity for the actinides because of its ability to bind actinides in a different manner than lanthanides, but the utility of TPA is limited by poor water solubility and high rigidity. While significant competition with water for the metal center limits the efficacy of aqueous-based thioethers for separations, the characterization of these solution-phase, S-containing lanthanide and actinide complexes is the most comprehensively available in the literature to date. Here, this is due to the breadth of lanthanides and actinides considered as well as the techniques deployed and serves as a platform for the further development of Scontaining reagents for actinide separations. Additionally, this paper reports on the first bond lengths for Cf and Bk with a neutral S donor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Results of the Micromorphic Upscaling Workflow for the PSAAP III Year 3 Report

Predicting the mechanical response and failure of heterogeneous materials has proven difficult. Multiscale numerical methods based in higher order continuum theories attempt to bridge the gap between microscale and macroscale structural behavior. Micromorphic continuum theories have shown promise. The Tardigrade software package is an implementation of Eringen’s micromorphic continuum theory with capabilities to support multiscale material modeling workflows. These include homogenization through the Micromorphic Filter, calibration of micromorphic material models, and macroscale simulation in Tardigrade-MOOSE. This work discusses micromorphic upscaling efforts of the University of Colorado Boulder PSAAP III multidisciplinary simulation center (MSC). Verification studies are presented that compare the accuracy of the upscaling workflow with analytical solutions for a trivial stress state and homogeneous material using direct numerical simulations (DNS) conducted in the Ratel finite element method (FEM) and GEOS material point method (MPM) codes. These verification studies consider upscaling using the Micromorphic Filter for a “single filter domain”. Finally, DNS of a heterogeneous composite material is upscaled using a “multiple filter domain” method.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Generation and Life Cycle of Solar Spicules

The physical mechanism for the creation of solar spicules is proposed with three stages of their life cycle. It is assumed that at stage I the density hump is formed locally in the x-y plane in the lower chromosphere in the presence of temperature gradients of electrons and ions along the z-axis (the vertical direction). In this region, the density structure of quasi-neutral (n i ≃ n e = n) plasma after taking birth is accelerated in the vertical direction owing to the thermal force F th ∝ ∇n(x, y, t) × (∇T e + ∇T i ). The exact time-dependent analytical solution of two-fluid plasma equations is presented assuming that density is maximum at the center of the density structure and decays away from it gradually. The 2D density structure is created as a step function H(t) in time at the bottom of the chromosphere, and consequently, the vertical plasma velocity turns out to be the ramp function of time R(t) = tH(t), whereas the source term S(x, y, t) for the density follows the delta function δ(t) form. The upward acceleration a = a(x, y) $\hat{z}$ produced in this density structure is greater than the downward constant solar acceleration −g ⊙ in the chromosphere. In the transition region, the temperature gradients are steeper; therefore, the upward acceleration increases in magnitude g ⊙ ≪ a and the density hump spends less time there. This is stage II of its life cycle. In stage III, the density structure enters into the corona, where the gradients of temperatures vanish and the structure decelerates to zero velocity under the action of the solar gravitational force.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1989

Continuous hydroponic wheat production using a recirculating system

Continuous crop production, where plants of various ages are growing simultaneously in a single recirculating nutrient solution, is a possible alternative to batch production in a Controlled Ecological Life Support System. A study was conducted at John F. Kennedy Space Center where 8 trays (0.24 sq m per tray) of Triticum aestivum L. Yecora Rojo were grown simultaneously in a growth chamber at 23 C, 65 percent relative humidity, 1000 ppm CO2, continuous light, with a continuous flow, thin film nutrient delivery system. The same modified Hoagland nutrient solution was recirculated through the plant trays from an 80 L reservoir throughout the study. It was maintained by periodic addition of water and nutrients based on chemical analyses of the solution. The study was conducted for 216 days, during which 24 trays of wheat were consecutively planted (one every 9 days), 16 of which were grown to maturity and harvested. The remaining 8 trays were harvested on day 216. Grain yields averaged 520 g m(exp -2), and had an average edible biomass of 32 percent. Consecutive yields were unaffected by nutrient solution age. It was concluded that continual wheat production will work in this system over an extended period of time. Certain micronutrient deficiencies and toxicities posed problems and must be addressed in future continuous production systems.

Mackowiak, C. L.↗

NASA NTRS1992

Investigation of advanced counterrotation blade configuration concepts for high speed turboprop systems. Task 4: Advanced fan section aerodynamic analysis computer program user's manual

The computer program user's manual for the ADPACAPES (Advanced Ducted Propfan Analysis Code-Average Passage Engine Simulation) program is included. The objective of the computer program is development of a three-dimensional Euler/Navier-Stokes flow analysis for fan section/engine geometries containing multiple blade rows and multiple spanwise flow splitters. An existing procedure developed by Dr. J. J. Adamczyk and associates at the NASA Lewis Research Center was modified to accept multiple spanwise splitter geometries and simulate engine core conditions. The numerical solution is based upon a finite volume technique with a four stage Runge-Kutta time marching procedure. Multiple blade row solutions are based upon the average-passage system of equations. The numerical solutions are performed on an H-type grid system, with meshes meeting the requirement of maintaining a common axisymmetric mesh for each blade row grid. The analysis was run on several geometry configurations ranging from one to five blade rows and from one to four radial flow splitters. The efficiency of the solution procedure was shown to be the same as the original analysis.

Crook, Andrew J.↗

NASA NTRS1953

Motion of a cylinder under the surface of a heavy fluid

General equations are derived for the approximate solution of the flow of a heavy infinite depth about a submerged circular cylinder where the center of the cylinder is submerged 1.5 diameter or greater. Then by replacing the cylinder by a dipole of a certain strength an equation is derived for the wave resistance of a circular cylinder moving in a fluid of finite depth.

HYDRODYNAMIC THEORY↗

NASA NTRS2001

Making the EZ Choice

Analytical Mechanics Associates, Inc. (AMA), of Hampton, Virginia, created the EZopt software application through Small Business Innovation Research (SBIR) funding from NASA's Langley Research Center. The new software is a user-friendly tool kit that provides quick and logical solutions to complex optimal control problems. In its most basic form, EZopt converts process data into math equations and then proceeds to utilize those equations to solve problems within control systems. EZopt successfully proved its advantage when applied to short-term mission planning and onboard flight computer implementation. The technology has also solved multiple real-life engineering problems faced in numerous commercial operations. For instance, mechanical engineers use EZopt to solve control problems with robots, while chemical plants implement the application to overcome situations with batch reactors and temperature control. In the emerging field of commercial aerospace, EZopt is able to optimize trajectories for launch vehicles and perform potential space station- keeping tasks. Furthermore, the software also helps control electromagnetic devices in the automotive industry.

Source record↗

NASA NTRS2003

On the Hilbert-Huang Transform Data Processing System Development

One of the main heritage tools used in scientific and engineering data spectrum analysis is the Fourier Integral Transform and its high performance digital equivalent - the Fast Fourier Transform (FFT). The Fourier view of nonlinear mechanics that had existed for a long time, and the associated FFT (fairly recent development), carry strong a-priori assumptions about the source data, such as linearity and of being stationary. Natural phenomena measurements are essentially nonlinear and nonstationary. A very recent development at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC), known as the Hilbert-Huang Transform (HHT) proposes a novel approach to the solution for the nonlinear class of spectrum analysis problems. Using the Empirical Mode Decomposition (EMD) followed by the Hilbert Transform of the empirical decomposition data (HT), the HHT allows spectrum analysis of nonlinear and nonstationary data by using an engineering a-posteriori data processing, based on the EMD algorithm. This results in a non-constrained decomposition of a source real value data vector into a finite set of Intrinsic Mode Functions (IMF) that can be further analyzed for spectrum interpretation by the classical Hilbert Transform. This paper describes phase one of the development of a new engineering tool, the HHT Data Processing System (HHTDPS). The HHTDPS allows applying the "T to a data vector in a fashion similar to the heritage FFT. It is a generic, low cost, high performance personal computer (PC) based system that implements the HHT computational algorithms in a user friendly, file driven environment. This paper also presents a quantitative analysis for a complex waveform data sample, a summary of technology commercialization efforts and the lessons learned from this new technology development.

Kizhner, Semion↗

NASA NTRS2003

Body water handling in response to hypertonic-saline induced diuresis in fasting northern elephant seal pups (Mirounga angustirostris)

During natural fasting conditions in postweaned northern elephant seal (NES) (Mirounga angustirostris) pups, urinary water loss is minimized and percent total body water (TBW) is maintained constant. However, following infusion of hypertonic saline, glomerular filtration rate (GFR) and urine output increased in fasting pups. Therefore, we quantified the magnitude of the hypernatremia-induced diuresis relative to the animal's total body water (TBW) pool and the percentage of filtered water reabsorbed. Following a 24 h control period, naturally fasting NES pups (n=7) were infused (4 ml min(-1)) with hypertonic saline (16.7%) at a dose of 3 mmol NaCl kg(-1) body mass. Total body water was estimated prior to infusion by tritium dilution, GFR was estimated by standard creatinine clearance, and urine output (V) was measured for 24 h during the control and post infusion periods. Percentage of filtered water reabsorbed was calculated as (1-(V/GFR))x100. Twenty-four hours following the infusion, GFR (control: 69+/-12 ml min(-1) and post-infusion: 118+/-19 ml min(-1); mean+/-S.E.) increased 77+/-28% above control and the percentage of filtered water reabsorbed was decreased 0.4+/-0.1%. The increase in urine output (control: 218+/-47 ml d(-1) and post-infusion: 883+/-92 ml d(-1)) accounted for 1.7+/-0.2% of the pups' TBW. The hypernatremia-induced diuresis was accompanied by the loss of body water indicating the lack of water retention. Although the 77% increase in GFR was only associated with a 0.4% decrease in the percentage of filtered water reabsorbed, this decrease was significant enough to result in a 4-fold increase in urine output. Despite the observed diuresis, fasting NES pups appear to possess an efficient water recycling mechanism requiring only a small percentage of body water to excrete an excess salt load. This water recycling mechanism may allow pups to avoid negative perturbations in body water as they initiate feeding in a marine environment following the fast.

Non-NASA Center↗

NASA NTRS1999

Does formate reduce alpha-ketoglutarate and ammonia to glutamate?

The reported reduction of alpha-ketoglutarate and ammonia by formate is much slower than described (Morowitz et al., 1995). The formate reduction if any is small under these conditions. Glutamate is produced from a reduction by a second molecule of alpha-ketoglutarate involving an oxidative decarboxylation.

NASA Discipline Exobiology↗

NASA NTRS2005

On the Hilbert-Huang Transform Theoretical Developments

One of the main heritage tools used in scientific and engineering data spectrum analysis is the Fourier Integral Transform and its high performance digital equivalent - the Fast Fourier Transform (FFT). Both carry strong a-priori assumptions about the source data, such as linearity, of being stationary, and of satisfying the Dirichlet conditions. A recent development at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC), known as the Hilbert-Huang Transform (HHT), proposes a novel approach to the solution for the nonlinear class of spectrum analysis problems. Using a-posteriori data processing based on the Empirical Mode Decomposition (EMD) sifting process (algorithm), followed by the normalized Hilbert Transform of the decomposition data, the HHT allows spectrum analysis of nonlinear and nonstationary data. The EMD sifting process results in a non-constrained decomposition of a source real value data vector into a finite set of Intrinsic Mode Functions (IMF). These functions form a near orthogonal adaptive basis, a basis that is derived from the data. The IMFs can be further analyzed for spectrum interpretation by the classical Hilbert Transform. A new engineering spectrum analysis tool using HHT has been developed at NASA GSFC, the HHT Data Processing System (HHT-DPS). As the HHT-DPS has been successfully used and commercialized, new applications post additional questions about the theoretical basis behind the HHT and EMD algorithms. Why is the fastest changing component of a composite signal being sifted out first in the EMD sifting process? Why does the EMD sifting process seemingly converge and why does it converge rapidly? Does an IMF have a distinctive structure? Why are the IMFs near orthogonal? We address these questions and develop the initial theoretical background for the HHT. This will contribute to the developments of new HHT processing options, such as real-time and 2-D processing using Field Programmable Array (FPGA) computational resources, enhanced HHT synthesis, and broaden the scope of HHT applications for signal processing.

Kizhner, Semion↗

NASA NTRS2006

On Certain Theoretical Developments Underlying the Hilbert-Huang Transform

One of the main traditional tools used in scientific and engineering data spectral analysis is the Fourier Integral Transform and its high performance digital equivalent - the Fast Fourier Transform (FFT). Both carry strong a-priori assumptions about the source data, such as being linear and stationary, and of satisfying the Dirichlet conditions. A recent development at the National Aeronautics and Space Administration (NASA) Goddard Space Flight Center (GSFC), known as the Hilbert-Huang Transform (HHT), proposes a novel approach to the solution for the nonlinear class of spectral analysis problems. Using a-posteriori data processing based on the Empirical Mode Decomposition (EMD) sifting process (algorithm), followed by the normalized Hilbert Transform of the decomposed data, the HHT allows spectral analysis of nonlinear and nonstationary data. The EMD sifting process results in a non-constrained decomposition of a source real-value data vector into a finite set of Intrinsic Mode Functions (IMF). These functions form a nearly orthogonal derived from the data (adaptive) basis. The IMFs can be further analyzed for spectrum content by using the classical Hilbert Transform. A new engineering spectral analysis tool using HHT has been developed at NASA GSFC, the HHT Data Processing System (HHT-DPS). As the HHT-DPS has been successfully used and commercialized, new applications pose additional questions about the theoretical basis behind the HHT and EMD algorithms. Why is the fastest changing component of a composite signal being sifted out first in the EMD sifting process? Why does the EMD sifting process seemingly converge and why does it converge rapidly? Does an IMF have a distinctive structure? Why are the IMFs nearly orthogonal? We address these questions and develop the initial theoretical background for the HHT. This will contribute to the development of new HHT processing options, such as real-time and 2-D processing using Field Programmable Gate Array (FPGA) computational resources,

Kizhner, Semion↗

NASA NTRS2006

Experimental and Computational Analysis of Unidirectional Flow Through Stirling Engine Heater Head

A high efficiency Stirling Radioisotope Generator (SRG) is being developed for possible use in long-duration space science missions. NASA s advanced technology goals for next generation Stirling convertors include increasing the Carnot efficiency and percent of Carnot efficiency. To help achieve these goals, a multi-dimensional Computational Fluid Dynamics (CFD) code is being developed to numerically model unsteady fluid flow and heat transfer phenomena of the oscillating working gas inside Stirling convertors. In the absence of transient pressure drop data for the zero mean oscillating multi-dimensional flows present in the Technology Demonstration Convertors on test at NASA Glenn Research Center, unidirectional flow pressure drop test data is used to compare against 2D and 3D computational solutions. This study focuses on tracking pressure drop and mass flow rate data for unidirectional flow though a Stirling heater head using a commercial CFD code (CFD-ACE). The commercial CFD code uses a porous-media model which is dependent on permeability and the inertial coefficient present in the linear and nonlinear terms of the Darcy-Forchheimer equation. Permeability and inertial coefficient were calculated from unidirectional flow test data. CFD simulations of the unidirectional flow test were validated using the porous-media model input parameters which increased simulation accuracy by 14 percent on average.

Wilson, Scott D.↗

NASA NTRS2009

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

The Virtual Diagnostics Interface (ViDI) methodology combines two-dimensional image processing and three-dimensional computer modeling to provide comprehensive in-situ visualizations commonly utilized for in-depth planning of wind tunnel and flight testing, real time data visualization of experimental data, and unique merging of experimental and computational data sets in both real-time and post-test analysis. The preparation of such visualizations encompasses the realm of interactive three-dimensional environments, traditional and state of the art image processing techniques, database management and development of toolsets with user friendly graphical user interfaces. ViDI has been under development at the NASA Langley Research Center for over 15 years, and has a long track record of providing unique and insightful solutions to a wide variety of experimental testing techniques and validation of computational simulations. This report will address the various aspects of ViDI and how it has been applied to test programs as varied as NASCAR race car testing in NASA wind tunnels to real-time operations concerning Space Shuttle aerodynamic flight testing. In addition, future trends and applications will be outlined in the paper.

Schwartz, Richard J.↗

NASA NTRS2010

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

Schwartz, Richard J.↗

NASA NTRS2010

The Next Generation of Ground Operations Command and Control; Scripting in C no. and Visual Basic

Scripting languages have become a common method for implementing command and control solutions in space ground operations. The Systems Test and Operations Language (STOL), the Huntsville Operations Support Center (HOSC) Scripting Language Processor (SLP), and the Spacecraft Control Language (SCL) offer script-commands that wrap tedious operations tasks into single calls. Since script-commands are interpreted, they also offer a certain amount of hands-on control that is highly valued in space ground operations. Although compiled programs seem to be unsuited for interactive user control and are more complex to develop, Marshall Space flight Center (MSFC) has developed a product called the Enhanced and Redesign Scripting (ERS) that makes use of the graphical and logical richness of a programming language while offering the hands-on and ease of control of a scripting language. ERS is currently used by the International Space Station (ISS) Payload Operations Integration Center (POIC) Cadre team members. ERS integrates spacecraft command mnemonics, telemetry measurements, and command and telemetry control procedures into a standard programming language, while making use of Microsoft's Visual Studio for developing Visual Basic (VB) or C# ground operations procedures. ERS also allows for script-style user control during procedure execution using a robust graphical user input and output feature. The availability of VB and C# programmers, and the richness of the languages and their development environment, has allowed ERS to lower our "script" development time and maintenance costs at the Marshall POIC.

Ritter, George↗

NASA NTRS2011

The Development of NASA's Fault Management Handbook

Disciplined approach to Fault Management (FM) has not always been emphasized by projects, contributing to major schedule and cost overruns. Progress is being made on a number of fronts outside of Handbook effort: (1) Processes, Practices and Tools being developed at some Centers and Institutions (2) Management recognition . Constellation FM roles, Discovery/New Frontiers mission reviews (3) Potential Technology solutions . New approaches could avoid many current pitfalls (3a) New FM architectures, including model ]based approach integrated with NASA fs MBSE efforts (3b) NASA fs Office of the Chief Technologist: FM identified in seven of NASA fs 14 Space Technology Roadmaps . opportunity to coalesce and establish thrust area to progressively develop new FM techniques FM Handbook will help ensure that future missions do not encounter same FM ]related problems as previous missions Version 1 of the FM Handbook is a good start.

Fault Management↗

NASA NTRS2014

Processing and Characterization of Carbon Nanotube Composites

Recent advances in the synthesis of large-scale quantities of carbon nanotubes (CNT) have provided the opportunity to study the mechanical properties of polymer matrix composites using these novel materials as reinforcement. Nanocomp Technologies, Inc. currently supplies large sheets with dimensions up to 122 cm x 244 cm containing both single-wall and few-wall CNTs. The tubes are approximately 1 mm in length with diameters ranging from 8 to 12 nm. In the present study being conducted at NASA Langley Research Center (LaRC), single and multiple layers of CNT sheets were infused or coated with various polymer solutions that included commercial toughened-epoxies and bismaleimides, as well as a LaRC developed polyimide. The resulting CNT composites were tested in tension using a modified version of ASTM D882-12 to determine their strength and modulus values. The effects of solvent treatment and mechanical elongation/alignment of the CNT sheets on the tensile performance of the composite were determined. Thin composites (around 50 wt% CNT) fabricated from acetone condensed and elongated CNT sheets with either a BMI or polyimide resin solution exhibited specific tensile moduli approaching that of toughened epoxy/ IM7 carbon fiber unidirectional composites.

Can, Roberto J.↗