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DOE OSTI2025

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

NASA NTRS1979

Results of transonic tests in the NASA/MSFC 14-inch trisonic wind tunnel on a 0.004-scale model (74-OTS) space shuttle launch vehicle (FA25)

The primary objective of the test was to determine the aerodynamic increments due to the attach structure. Secondary objectives were to determine the effects of: (1) orbiter nose mold line changes; (2) wire bundle fairings on data measurements; and (3) flow angularity. The scale model was tested over the Mach range from 0.60 to 1.25 at angles of attack and sideslip from -8 to +8 deg. The total pressure was 22 psia for all runs. Six-component orbiter data were obtained from a balance in the orbiter which was sting supported. The external tank was attached to the solid rocket booster, each of which was sting supported. An alternate two sting/two balance arrangement was also tested with a single sting and balance in the external tank measuring combined ET/SRB aero data replacing the two stings in the SRB's. Two runs were also made at Mach number 4.96 with the two SRB's removed. The aerodynamic coefficients obtained are tabulated as a function of angle of attack or sideslip for each Mach number value.

Lundy, T. E.↗

NASA NTRS1981

Extended operating range of the 30-cm ion thruster with simplified power processor requirements

A 30-cm-diameter Hg ion thruster similar in design to the J-series thruster was operated at fixed conditions with only five power supplies and was throttled over the baseline power range with six supplies. An analysis of the functional model power processor showed that the component mass and parts count would be reduced by about 14 and 35% respectively, and the electrical efficiency would be increased about 1.5% by replacing power supplies with relays. By introducing new circuit designs, additional reductions in the component mass and parts, as well as an increase in electrical efficiency would be expected. The impact on thruster performance of reducing the number of power supplies was to lower the propellant utilization efficiency about 1.0% and raise the electrical efficiency values from 0.2 to 1.3% over the throttle range.

Rawlin, V. K.↗

NASA NTRS1983

An improved logarithmic amplifier circuit for PDS microdensitometers

A high-speed logarithmic-amplifier circuit for a PDS microdensitometer is discussed. The circuit is designed around a 757P log-amp module which replaces the FMI 531 'Negative Log/Anti-log' device of the original. The new amplifier is capable of producing undistorted profiles of rapidly changing, dense images over the available range of scanning speeds. The circuit board has been designed to directly replace the manufacturer supplied unit; neither electrical nor mechanical modifications of the basic PDS are required. The performance of the circuit is illustrated through its effects on the overall Modulation Transfer Function of the instrument and by scans of a well-exposed stellar image. Circuit diagrams and parts lists are presented.

Anderson, C. M.↗

NASA NTRS1986

The quasi-linear relaxation of thick-target electron beams in solar flares

The effects of quasi-linear interactions on thick-target electron beams in the solar corona are investigated. Coulomb collisions produce regions of positive gradient in electron distributions which are initially monotonic decreasing functions of energy. In the resulting two-stream instability, energy and momentum are transferred from electrons to Langmuir waves and the region of positive slope in the electron distribution is replaced by a plateau. In the corona, the timescale for this quasi-linear relaxation is very short compared to the collision time. It is therefore possible to model the effects of quasi-linear relaxation by replacing any region of positive slop in the distribution by a plateau at each time step, in such a way as to conserve particle number. The X-ray bremsstrahlung and collisional heating rate produced by a relaxed beam are evaluated. Although the analysis is strictly steady state, it is relevant to the theoretical interpretation of hard X-ray bursts with durations of the order of a few seconds (i.e., the majority of such bursts).

Mcclements, K. G.↗

NASA NTRS1988

Knowledge-based operation and management of communications systems

Expert systems techniques are being applied in operation and control of the Defense Communications System (DCS), which has the mission of providing reliable worldwide voice, data and message services for U.S. forces and commands. Thousands of personnel operate DCS facilities, and many of their functions match the classical expert system scenario: complex, skill-intensive environments with a full spectrum of problems in training and retention, cost containment, modernization, and so on. Two of these functions are: (1) fault isolation and restoral of dedicated circuits at Tech Control Centers, and (2) network management for the Defense Switched Network (the modernized dial-up voice system currently replacing AUTOVON). An expert system for the first of these is deployed for evaluation purposes at Andrews Air Force Base, and plans are being made for procurement of operational systems. In the second area, knowledge obtained with a sophisticated simulator is being embedded in an expert system. The background, design and status of both projects are described.

Heggestad, Harold M.↗

NASA NTRS1991

Environmental Data Recorder (EDR) qualification

Qualification testing of the environmental data recorder (EDR) was successfully completed. The purpose of this test was to qualify the EDR so that it could monitor segments shipped via railcar from Utah to Kennedy Space Center (KSC). The tests consisted of a transportation and a functional test. The transportation test verified EDR operation in its intended environment. The functional test verified EDR accuracy. Data from the functional test showed that the EDR accuracies complied with requirements. Since the EDR meets or exceeds all of its test objectives, it was successfully qualified. It is recommended that the EDR replace the transportation monitoring unit (TMU). A description of the qualification procedure is presented.

Danforth, Richard A.↗

NASA NTRS2004

The Use of Pristine and Intercalated Graphite Fiber Composites as Buss Bars in Lead-Acid Batteries

This study was conducted as a part of the Firefly Energy Space Act Agreement project to investigate the possible use of composite materials in lead acid batteries. Specifically, it examined the use of intercalated graphite composites as buss bars. Currently, buss bars of these batteries are made of lead, a material that is problematic for several reasons. Over time, the lead is subject to both corrosion at the positive plate and sulfation at the negative plate, resulting in decreased battery life. In addition, the weight and size of the lead buss bars make for a heavy and cumbersome battery that is undesirable. Functionality and practicality of lead buss bars is adequate at best; consequently, investigation of more efficient composite materials would be advantageous. Practically speaking, graphite composites have a low density that is nearly one fourth that of its lead counterpart. A battery made of less dense materials would be more attractive to the consumer and the producer because it would be light and convenient. More importantly, low weight would be especially beneficial because it would result in greater overall power density of the battery. In addition to power density, use of graphite composite materials can also increase the life of the battery. From a functional standpoint, corrosion and sulfation at the positive and negative plates are major obstacles when considering how to extend battery life. Neither of these reactions are a factor when graphite composites replace lead parts because graphite is chemically non-reactive with the electrolyte within the battery. Without the problem of corrosion or sulfation, battery life expectancy can be almost doubled. The replacement of lead battery parts with composite materials is also more environmentally favorable because of easy disposal of organic materials. For this study, both pristine and bromine intercalated single-ply graphite fiber composites were created. The composites were fabricated in such a way as to facilitate their use in a 3" x 1/2" buss bar test cell. The prime objective of this investigation was to examine the effectiveness of a variety of graphite composite materials to act as buss bars and carry the current to and from the positive and negative battery plates. This energy transfer can be maximized by use of materials with high conductivity to minimize the buss resistance. Electrical conductivity of composites was measured using both a contactless eddy current probe and a four point measurement. In addition, the stability of these materials at battery-use conditions was characterized.

Opaluch, Amanda M.↗

NASA NTRS2010

Three Years of on Orbit ISS Oxygen Generation System Operation 2007-2010

The International Space Station (ISS) United States Orbital Segment (USOS) Oxygen Generation System (OGS) has accumulated 240 days of continuous operation at varied oxygen production rates within the US Laboratory Module (LAB) since it was first activated in July 2007. OGS relocated from the ISS LAB to Node 3 during 20A Flight (February 2010). The OGS rack delivery was accelerated for on-orbit checkout in the LAB, and it was launched to ISS in July of 2006. During the on-orbit checkout interval within the LAB from July 2007 to October 2008, OGS operational times were limited by the quantity of feedwater in a Payload Water Reservoir (PWR) bag. Longer runtimes are now achievable due to the continuous feedwater availability after ULF2 delivery and activation of the USOS Water Recovery System (WRS) racks. OGS is considered a critical function to maintaining six crew capability. There have been a number of failures which interrupted or threatened to interrupt oxygen production. Filters in the recirculation loop have clogged and have been replaced, Hydrogen sensors have fallen out of specifications, a pump delta pressure sensor failed, a pump failed to start, and the voltage on the cell stack increased out of tolerance. This paper will discuss the operating experience and characteristics of the OGS, as well as operational issues and their resolution.

Diderich, Greg S.↗

DOE OSTI2026

Semi-Dynamic Leach Testing of Densified Silicon-based Iodine Waste Forms

Iodine waste forms (IWF) require a conceptual corrosion release model (CCRM) to provide iodine (I) release rates for performance modeling nuclear waste disposal repositories. To develop a CCRM, an understanding of the corrosion mechanisms of the IWF are required along with data from consistent test methods to parameterize the model. The present study has advanced both areas by providing and assessing the corrosion resistance of IWF types based on their processing history in minor variations of semi-dynamic leach tests. The test included a series of semi-dynamic leach tests using monolithic IWFs in deionized water (leachant). Several experiments were conducted under alternate test conditions with changes to temperature, leachant replacement, leachant pH, leachant volume, masking, and surface finish to elucidate if varying these conditions impacted IWF corrosion behavior. Tests were conducted on two classes of IWFs: (1) I-bearing silver-mordenite (AgZ) materials processed by hot isostatic pressing (HIP) at different temperatures, pressures, sizes, and times; and (2) I-bearing silver-functionalized silica aerogels (SFA) processed by either HIP or spark plasma sintering (SPS). The corrosion susceptibility of AgZ samples was influenced by HIP temperature and pressure. The SPS SFAs retained I far better than HIP SFAs. Additional findings in this study include: (1) The iodine dissolution rate decreased with decreasing temperature, (2) a common ion effect may occur and slow dissolution of the host phase if the leachant is not regularly replaced, (3) pH controls the dissolution rate, and (4) the iodine dissolution rate slows with extended test time (up to 224 days). Based on this work, these parameters should thus be represented when developing a CCRM.

corrosion↗

DOE OSTI2021

Paclitaxel loading in cationic liposome vectors is enhanced by replacement of oleoyl with linoleoyl tails with distinct lipid shapes

Abstract Lipid carriers of hydrophobic paclitaxel (PTX) are used in clinical trials for cancer chemotherapy. Improving their loading capacity requires enhanced PTX solubilization. We compared the time-dependence of PTX membrane solubility as a function of PTX content in cationic liposomes (CLs) with lipid tails containing one (oleoyl; DOPC/DOTAP) or two (linoleoyl; DLinPC/newly synthesized DLinTAP) cis double bonds by using microscopy to generate kinetic phase diagrams. The DLin lipids displayed significantly increased PTX membrane solubility over DO lipids. Remarkably, 8 mol% PTX in DLinTAP/DLinPC CLs remained soluble for approximately as long as 3 mol% PTX (the solubility limit, which has been the focus of most previous studies and clinical trials) in DOTAP/DOPC CLs. The increase in solubility is likely caused by enhanced molecular affinity between lipid tails and PTX, rather than by the transition in membrane structure from bilayers to inverse cylindrical micelles observed with small-angle X-ray scattering. Importantly, the efficacy of PTX-loaded CLs against prostate cancer cells (their IC50 of PTX cytotoxicity) was unaffected by changing the lipid tails, and toxicity of the CL carrier was negligible. Moreover, efficacy was approximately doubled against melanoma cells for PTX-loaded DLinTAP/DLinPC over DOTAP/DOPC CLs. Our findings demonstrate the potential of chemical modifications of the lipid tails to increase the PTX membrane loading while maintaining (and in some cases even increasing) the efficacy of CLs. The increased PTX solubility will aid the development of liposomal PTX carriers that require significantly less lipid to deliver a given amount of PTX, reducing side effects and costs.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Preliminary Monte Carlo and Thermal Hydraulic Analysis using a Hybrid ETF-Corrected-Diffusion Prediction Block

This paper builds upon previous work to accelerate the Picard iteration (PI) method typically applied for coupled Monte Carlo-Thermal hydraulic (MC-TH) solutions. Previously, the use of the generalized transfer functions (GTFs) to predict variation in macroscopic cross sections following a perturbation in TH properties was demonstrated for a subset of simple 3D problems. In addition, the reduced-order transport prediction block relied on the first order perturbation (FOP) method, which was shown to have computational overheads. Recent work replaced the FOP block with a 1-group nodal diffusion solver to eliminate these overheads. While the use of diffusion is desirable for large-scale problems, the new solver introduces significant homogenization error. This work aims to address this issue by using the Jacobian-Free Newton Krylov (JFNK) method to generate a set of super homogenization (SPH) factors to improve the accuracy of the diffusion solution. The SPH factors will be used in conjunction with an improved cross section prediction method – the expanded transfer function (ETF) method – to produce a highly accurate flux prediction for an axial 1D boiling water reactor (BWR) pincell following a large perturbation in moderator density. The ETF-corrected diffusion (ETF-CD) block is shown to be highly accurate for the 1D test case. Future work will investigate the accuracy of the method for a realistic 3D pressurized water reactor core.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2020

Structure and Parameter Uncertainty in Centennial Projections of Forest Community Structure and Carbon Cycling

Secondary forest regrowth shapes community succession and biogeochemistry for decades, including in the Upper Great Lakes region. Vegetation models encapsulate our understanding of forest function, and whether models can reproduce multi‐decadal succession patterns is an indication of our ability to predict forest responses to future change. We test the ability of a vegetation model to simulate C cycling and community composition during 100 years of forest regrowth following stand‐replacing disturbance, asking (a) Which processes and parameters are most important to accurately model Upper Midwest forest succession? (b) What is the relative importance of model structure versus parameter values to these predictions? We ran ensembles of the Ecosystem Demography model v2.2 with different representations of processes important to competition for light. We compared the magnitude of structural and parameter uncertainty and assessed which sub‐model–parameter combinations best reproduced observed C fluxes and community composition. On average, our simulations underestimated observed net primary productivity (NPP) and leaf area index (LAI) after 100 years and predicted complete dominance by a single plant functional type (PFT). Out of 4,000 simulations, only nine fell within the observed range of both NPP and LAI, but these predicted unrealistically complete dominance by either early hardwood or pine PFTs. A different set of seven simulations were ecologically plausible but under‐predicted observed NPP and LAI. Parameter uncertainty was large; NPP and LAI ranged from ~0% to >200% of their mean value, and any PFT could become dominant. The two parameters that contributed most to uncertainty in predicted NPP were plant–soil water conductance and growth respiration, both unobservable empirical coefficients. We conclude that (a) parameter uncertainty is more important than structural uncertainty, at least for ED‐2.2 in Upper Midwest forests and (b) simulating both productivity and plant community composition accurately without physically unrealistic parameters remains challenging for demographic vegetation models.

canopy radiative transfer↗

DOE OSTI2020

Reaction of Hydrazine with Solution- and Vacuum-Prepared Selectively Terminated Si(100) Surfaces: Pathways to the Formation of Direct Si–N Bonds

Here, the reactivity of liquid hydrazine (N 2 H 4 ) with respect to H-, Cl-, and Br-terminated Si(100) surfaces was investigated to uncover the principles of nitrogen incorporation into the interface. This process has important implications in a wide variety of applications, including semiconductor surface passivation and functionalization, nitride growth, and many others. The use of hydrazine as a precursor allows for reactions that exclude carbon and oxygen, the primary sources of contamination in processing. In this work, the reactivity of N 2 H 4 with H- and Cl-terminated surfaces prepared by traditional solvent-based methods and with a Br-terminated Si(100) prepared in ultrahigh vacuum was compared. The reactions were studied with X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling microscopy, and the observations were supported by computational investigations. The H-terminated surface led to the highest level of nitrogen incorporation; however, the process proceeds with increasing surface roughness, suggesting possible etching or replacement reactions. In the case of Cl-terminated (predominantly dichloride) and Br-terminated (monobromide) surfaces, the amount of nitrogen incorporation on both surfaces after the reaction with hydrazine was very similar despite the differences in preparation, initial structure, and chemical composition. Density functional theory was used to propose the possible surface structures and to analyze surface reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17): Site-Selective Substitution, Electronic Structure, Chemical Bonding, and Structural Transformation

CoSn-type intermetallic compounds have emerged as a model platform for Kagome-derived flat-band physics, where subtle chemical perturbations can strongly influence electronic structure and phase stability. Here, we present a combined experimental and theoretical study of Sb-substitution in CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17) to elucidate the interplay between site selectivity, solubility limit, chemical bonding, and electronic structure. Rietveld refinements on Neutron powder diffraction data confirmed the selective Sb-substitution at the electron-rich In2 (2d) site forming the honeycomb substructure, while the In1 (1a) site within the Kagome layer remains exclusively occupied by In. Density functional theory (DFT) calculations revealed that pristine CoSn-type NiIn hosts Ni 3d-dominated flat bands near the Fermi level (EF), originating from the Kagome-like Ni substructure. Partial replacement of In by Sb within the honeycomb layer alters these flat-band features below EF, reducing the density of states and suppressing the flat-band topology near the Fermi level. Orbital-resolved electronic structure and chemical-bonding analyses show that Sb-substitution enhances Ni-p-block (In/Sb) covalency and optimizes charge compensation, stabilizing the CoSn-type structure up to the solubility limit x ≈ 0.17. Beyond the limit, the higher-Sb compositions show satellite reflections consistent with an incommensurately modulated phase. These results establish a link between site-selective chemical substitution, bonding optimization, and flat-band electronic structure evolution, providing fundamental insights into how chemical substitution influences the electronic properties of Kagome-based intermetallic compounds.

Roy, Nilanjan [National Institute of Technology Si↗

NASA NTRS1984

An improved logarithmic amplifier circuit for PDS microdensitometers

A high speed logarithmic amplifier circuit for the Perkin-Elmer PDS microdensitometer is discussed. The circuit is designed around an Analog Devices 757p log-amp module. The amplifier produces undistorted profiles of rapidly changing, dense ( 4) images over the available range of scanning speeds. The circuit board was designed to replace directly the manufacturer supplied unit; neither electrical nor mechanical modifications of the basic PDS are required. The performance of the circuit is illustrated through its effects on the overall modulation transfer function of the instrument and by scans of a well exposed stellar image. Circuit diagrams and parts lists a mechanism for obtaining either circuit board layout art work or finished circuit boards are presented.

Anderson, C. M.↗

NASA NTRS1991

Space transfer vehicle concepts and requirements. Volume 1: Executive summary

The objectives of the Space Transfer Vehicle (STV) Concepts and Requirements studies were to provide sensitivity data on usage, economics, and technology associated with new space transportation systems. The study was structured to utilize data on the emerging launch vehicles, the latest mission scenarios, and Space Exploration Initiative (SEI) payload manifesting and schedules, to define a flexible, high performance, cost effective, evolutionary space transportation system for NASA. Initial activities were to support the MSFC effort in the preparation of inputs to the 90 Day Report to the National Space Council (NSC). With the results of this study establishing a point-of-departure for continuing the STV studies in 1990, additional options and mission architectures were defined. The continuing studies will update and expand the parametrics, assess new cargo and manned ETO vehicles, determine impacts on the redefined Phase 0 Space Station Freedom, and to develop a design that encompasses adequate configuration flexibility to ensure compliance with on-going NASA study recommendations with major system disconnects. In terms of general requirements, the objectives of the STV system and its mission profiles will address crew safety and mission success through a failure-tolerant and forgiving design approach. These objectives were addressed through the following: engine-out capability for all mission phases; built-in-test for vehicle health monitoring to allow testing of all critical functions such as, verification of lunar landing and ascent engines before initiating the landing sequence; critical subsystems will have multiple strings for redundancy plus adequate supplies of onboard spares for removal and replacement of failed items; crew radiation protection; and trajectories that optimize lunar and Mars performance and flyby abort capabilities.

Source record↗

NASA NTRS1993

Determination and characterization of the Hubble Space Telescope pointing stability

The Hubble Space Telescope (HST) was designed to maintian a pointing stability (jitter) of 0.007 arc seconds rms throughout every observing period, which can last from a few seconds to several orbits. On-orbit measurements indicate that the hardware excitation induced by the reaction wheels. gyros, high gain antennae, science instrument mechanisms and tape recorders are well within specifications. Unexpectedly, the solar arrays because the dominant source of jitter. Every passage through an orbital terminator produces vibrations which emanate from the solar arrays due to thermal effects, which affect the relative positional stability. Broadband frequencies centered about 0.11 and 0.65 Hz were detected in the frequency content of the vehicle jitter. On-board modifications to the control law have attenuated the disturbance torques and reduced the vehicle jitter close to specification. Replacement of the solar arrays in December, 1993, should eliminate the torque distubances. Astrometric science observations are extremely susceptible to corruption from vehicle jitter. The removal of vehicle jitter from astrometric Transfer function scans of binary stars is explained in detail. A binary star separation of 16 milli-seconds of arc has been achieved, a separation resolution of 10 to 12 milli-seconds of arc appears feasible, with a binary star magnitude of 9 m(sub V). The achievement of this resolution is in part due to vehicle jitter removal. Comparison of vehicle jitter measurements from the position path of the vehicle control law, or from the guiding Fine Guidance Sensors (FGS), are shown to be equivalent to approximately 0.001 arc second.

Bradley, A. J.↗