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DOE OSTI2022

Identification of a quasi-liquid phase at solid–liquid interface

Abstract An understanding of solid–liquid interfaces is of great importance for fundamental research as well as industrial applications. However, it has been very challenging to directly image solid–liquid interfaces with high resolution, thus their structure and properties are often unknown. Here, we report a quasi-liquid phase between metal (In, Sn) nanoparticle surfaces and an aqueous solution observed using liquid cell transmission electron microscopy. Our real-time high-resolution imaging reveals a thin layer of liquid-like materials at the interfaces with the frequent appearance of small In nanoclusters. Such a quasi-liquid phase serves as an intermediate for the mass transport from the metal nanoparticle to the liquid. Density functional theory-molecular dynamics simulations demonstrate that the positive charges of In ions greatly contribute to the stabilization of the quasi-liquid phase on the metal surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1973

Identification of Geostructures of continental crust, particularly as they relate to mineral-resource evaluation

The author has identified the following significant results. Analysis of lineated lakes in the Umiat, Alaska area and comparison with known geology, gravity, and magnetic data in the the area suggest concealed structures exist at depth, possibly at or near basement, which may represent targets for petroleum exploration. Compilation of reconnaissance geologic data on 1:250,000 scale enlargements of ERTS-1 images near Corwin reveal structural and stratigraphic anomalies that suggest the Cretaceous sequence is less thick than supposed and is repeated in a series of plates superimposed by flat thrust faults. The structural style differs from that in coeval strata to the northeast, across the northwest-trending linear zone separating differing tectonic styles in older strata noted earlier. The regional extension of a fault known locally in the McCarthy area has been recognized; this fault appears to form the boundary of a significant terrane of mid-Paleozoic metamorphic rocks. ERTS-1 images are being used operationally, at 1:1,000,000 scale in the compilation of regional geologic maps, and at 1:250,000 scale in field mapping in the Brooks Range, in the study of faults in seismically active southern Alaska, in field-checking interpretations previously made from ERTS-1 imagery, and orthophoto base maps for geologic maps.

Gryc, G.↗

NASA NTRS1989

Identification of XV-15 aeroelastic modes using frequency sweeps

The XV-15 tilt-rotor wing has six major aeroelastic modes that are close in frequency. To precisely excite individual modes during flight test, dual flaperon exciters with automatic frequency-sweep controls were installed. The resulting structural data were analyzed in the frequency domain (Fourier-transformed). Modal frequencies and damping were determined by performing curve fits to frequency-response magnitude and phase data. Results are given for the XV-15 with its original metal rotor blades. Frequency and damping values are also compared with predictions by two different programs, CAMRAD and ASAP.

Acree, C. W., Jr.↗

NASA NTRS1996

Health Monitoring System for Composite Structures

An automated system was developed to monitor the health status of composites. It uses the vibration characteristics of composites to identify a component's damage condition. The vibration responses are characterized by a set of signal features defined in the time, frequency and spatial domains. The identification of these changes in the vibration characteristics corresponding to different health conditions was performed using pattern recognition principles. This allows efficient data reduction and interpretation of vast amounts of information. Test components were manufactured from isogrid panels to evaluate performance of the monitoring system. The components were damaged by impact to simulate different health conditions. Free vibration response was induced by a tap test on the test components. The monitoring system was trained using these free vibration responses to identify three different health conditions. They are undamaged vs. damaged, damage location and damage zone size. High reliability in identifying the correct component health condition was achieved by the monitoring system.

Tang, S. S.↗

NASA NTRS1993

Identification and Active Disturbance Rejection for the JPL Phase B Test Bed

Active disturbance rejection to minimize optical path length error is illustrated by experimental results from the JPL Phase B Test Bed, which incorporates an interferometric sensor and a controllable trolley mounted on a flexible truss structure. The controller actively isolates the optical instruments from structural vibrations induced by external disturbances consisting of linear combinations of sinusoidal signals.

Active↗

DOE OSTI2024

Liquid Fuel Qualification for Molten Salt Reactors: Identification of Gaps and Challenges

This report identifies and describes challenges in implementing the MSR fuel qualification process described in NUREG/CR-7299 Fuel Qualification for Molten Salt Reactors. This report provides additional information including examples and additional use case descriptions to assist applicants in understanding the content and structure of the information necessary to develop a fuel qualification report. In particular, the current report emphasizes the relationship of fuel salt qualification to the contents of the plant safety analysis report. This report is limited to the safety functions relevant to the reactor aspects of the nuclear power plant. MSRs that include significant fuel salt processing would also need to address the safety aspects of the processing facility. No significant gaps were found in NUREG/CR-7299. However, NUREG/CR-7299 focuses on generic descriptions of how the fuel salt supports achievement of plant fundamental safety functions. A fuel salt qualification report will need explicitly address the role of the fuel salt in meeting regulatory requirements for a particular plant. NUREG/CR-7299 also provides a regulatory mapping between NRC rules and the safety functions. However, by remaining at a fundamental level, NUREG/CR-7299 does not address plant specific safety analysis. Some aspects of the safety analysis may require additional emphasis for designs that incorporate particular features (such as additional confirmation of decay heat rejection performance for higher power reactors). This report provides additional structure to enable an applicant to develop their plant-specific safety analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

High-Pressure Electrides: A Quantum Chemical Perspective

It has long been assumed that all matter will adopt simple close-packed lattices and become metallic under pressure, in accordance with the Thomas–Fermi–Dirac (TFD) model. However, this model struggles to explain pressure-driven complex structural transitions that have been observed in elements, including sodium, challenging our conventional understanding of compressed matter. Moreover, in stark contrast to the TFD model, first-principles calculations suggest that various elements and compounds become electrides under pressure. Electrides, characterized by concentrations of charge density at interstitial regions, can be thought of as ionic compounds where electrons behave as the anions. Though ambient-pressure molecular electrides have been extensively studied via experiments and computations, high-pressure electrides (HPEs) are not well-understood. The identification and characterization of HPEs have been, to date, based purely on theory, including topological analysis of the electron density and the electron localization function. Here, we review these theoretical analysis tools and suggest guidelines that can be used to classify systems as electrides. Moreover, we describe models used to rationalize the electronic structure of HPEs, drawing parallels with ambient-pressure molecular systems, and encourage the development of experimental techniques that provide evidence for the theoretically calculated charge localization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quantitative Identification of Dopant Occupation in Li‐Rich Cathodes

Elemental doping is widely used to improve the performance of cathode materials in lithium‐ion batteries. However, macroscopic/statistical investigation on how doping sites are distributed in the material lattice, despite being a key prerequisite for understanding and manipulating the doping effect, has not been effectively established. Herein, to solve this predicament, a universal strategy is proposed to quantitatively identify the locations of Al and Mg dopants in lithium‐rich layered oxides (LLOs). Solid evidence confirms that Al prefers to occupy the transition metal (TM) layer, while Mg evenly occupies both TM and Li layers. As a result, Mg significantly reduces the thickness of LiO 2 slabs at room temperature, which will increase the energy barrier of oxygen activation and enhance the structure stability of LLOs. The suppressed oxygen activity in Mg‐doped LLO can be kinetically unlocked at 55 °C. The different characteristics of Al and Mg enlighten an Al/Mg co‐doping strategy to optimize LLOs, which significantly improves the cycle performance while lifting the capacity. In conclusion, these insights from the quantitative identification of doping sites shed light on the manipulation of doping effects toward better cathodes.

25 ENERGY STORAGE↗

DOE OSTI2025

Integrated Framework of Multisource Data Fusion for Outage Location in Looped Distribution Systems

Accurate outage location is essential for expediting post-outage power restoration, minimizing outage duration, and enhancing the resilience of distribution networks. With the advent of advanced metering infrastructure, data-driven outage location methods have significantly advanced beyond traditional approaches that rely on manual inspections. However, existing methods still face critical challenges, like reliance on single-source data, limited ability to handle partially observable systems or difficulties with loop networks. To the best of our knowledge, no single approach has comprehensively addressed all of these challenges at once. To this end, this paper proposes a comprehensive multisource data fusion framework for outage locations via probabilistic graph networks. The framework consists of three key phases. First, a novel method for reconstituting distribution networks with loops is developed, transforming looped networks into multiple radial subnetworks that retain all outage causalities of the original network. Second, Bayesian network (BN) models are established for each subnetwork, integrating multiple data sources and network structures. Finally, a joint Gibbs sampling mechanism, featuring forward and backward information flow, is designed to merge data from separate BN models and maximize the utilization of limited evidence, ensuring accurate outage location identification. In conclusion, the framework was validated on two modified public test systems, and comparative studies confirmed its effectiveness.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Big Hole Drilling Support for Nuclear Testing, 1985-1992: An Architectural Survey of the Area 1 Subdock, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) planned to demolish two buildings at the Area 1 Subdock at the Nevada National Security Site (NNSS) in Nye County, Nevada, to meet environmental management mission requirements. A review was conducted under Title 54 United States Code (USC) § 306101 (commonly known as Section 106 of the National Historic Preservation Act) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800. As a result, a Memorandum of Agreement (MOA) was developed to mitigate the effects of the building demolitions. Stipulation III.B of the MOA requires an architectural survey of the Area 1 Subdock. Prior to this survey, the Subdock had not been systematically recorded. Therefore, an area of approximately 33 hectares (81 acres) was surveyed for historic properties by Desert Research Institute personnel. This effort resulted in the identification, recording, and evaluation of the potential Area 1 Subdock Historic District (SHPO Resource No. D377), including the identification of its contributing components. This district is recommended as eligible for the National Register of Historic Places (NRHP) under Criteria A and C. It contains 14 primary resources which include individual buildings, structures, storage yards, and infrastructure. Of these resources, all except one are recommended as elements that contribute to the district during its period of significance corresponding to nuclear testing from 1985 through 1992. Four of the resources (B18847, B18848, S2772, S2773) are recommended as individually eligible for the NRHP.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Synthesis of Si-Fe Chondrule-like Dust Analogues in RF Discharge Plasmas

Chondrules are tiny particles that occur in stony meteorites and are considered as the building blocks of early asteroids and planets. It is believed that they were formed by the fast heating of the dust in the solar nebula. To date, there is no lab-scale experimental study of the formation of chondrules from the initial gas phase precursors following fast heating and crystallisation. The motivation of this work is a pre-trial study of the formation of chnodrule-like particles. The formation of meteorites in the space environment is associated with the aggregation of small particles or molecular clouds under the influence of shock waves or high-energy gas discharges in the solar nebula. In this work, the properties of product formation at the nanoscale-level were investigated using different feedstock materials which are the dominant elements in the meteorite. The structural and morphological properties of the synthesised Si-Fe nanomaterials were analysed by scanning/transmission electron microscopy (SEM/TEM), and chemical composition was analysed by X-ray energy-dispersive spectroscopy (EDS). The identification of crystalline phases was carried out by X-ray diffraction (XRD), whereas the presence of an Fe-Si system in the synthesised particles was demonstrated by Mössbauer spectroscopy. The obtained materials were exposed to the relatively high-energy pulsed plasma beam on the substrate with the aim to emulate the possible fast heating and melting of the formed nanoparticles. The formation steps of growing synthetic (engineered) chondro-like particles and nanostructures in laboratory conditions is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1985

An Eigensystem Realization Algorithm (ERA) for modal parameter identification and model reduction

A method, called the Eigensystem Realization Algorithm (ERA), is developed for modal parameter identification and model reduction of dynamic systems from test data. A new approach is introduced in conjunction with the singular value decomposition technique to derive the basic formulation of minimum order realization which is an extended version of the Ho-Kalman algorithm. The basic formulation is then transformed into modal space for modal parameter identification. Two accuracy indicators are developed to quantitatively identify the system modes and noise modes. For illustration of the algorithm, examples are shown using simulation data and experimental data for a rectangular grid structure.

Juang, J. N.↗

NASA NTRS1986

Computational methods for the identification of spatially varying stiffness and damping in beams

A numerical approximation scheme for the estimation of functional parameters in Euler-Bernoulli models for the transverse vibration of flexible beams with tip bodies is developed. The method permits the identification of spatially varying flexural stiffness and Voigt-Kelvin viscoelastic damping coefficients which appear in the hybrid system of ordinary and partial differential equations and boundary conditions describing the dynamics of such structures. An inverse problem is formulated as a least squares fit to data subject to constraints in the form of a vector system of abstract first order evolution equations. Spline-based finite element approximations are used to finite dimensionalize the problem. Theoretical convergence results are given and numerical studies carried out on both conventional (serial) and vector computers are discussed.

Banks, H. T.↗

NASA NTRS1989

The 10 micron spectral structure in comets

The 10 micron spectra of comets Halley (1982i), Wilson (1986l), Kohoutek (1973f) and Bradfield (1987s) are presented and compared. The silicate emission profiles of Halley and Bradfield are seen to be remarkably similar in that both contain a sharp break in the spectrum at 11.3 microns. Comet Bradfield does not show the same double peak structure seen in olivine and reported in Comet Halley be Campins and Ryan (1988) and Bregman, et al. (1987). The authors interpret the 11.3 micron signature as being due to olivine-type dust grains with at least some degree of crystallinity. Olivine alone is not enough to reproduce the shape of the 10 micron structure. However, in view of the authors' past success in fitting interstellar dust features with the emissivity profile obtained from amorphous grains produced by laser-vaporizing olivine, this is a very appealing identification. They note that there are significant variations in olivine spectra due to compositional differences, grain size distribution and related grain temperature variations to make the olivine identification tentative. They further tentatively identify the 9.8 micron feature in Halley as being due to either amorphorous olivine or a phyllosilicate (layer lattice). Neither the spectra of Halley, Kohoutek, nor Bradfield exhibited the 12.2 micron feature seen in Comet Wilson, which may prove diagnostic of the composition or thermal history differences between these comets. IR spectra of various mineral samples are discussed in terms of their match to cometary spectra.

Lynch, David K.↗

NASA NTRS2001

Calcium-stimulated autophosphorylation site of plant chimeric calcium/calmodulin-dependent protein kinase

The existence of two molecular switches regulating plant chimeric Ca(2+)/calmodulin-dependent protein kinase (CCaMK), namely the C-terminal visinin-like domain acting as Ca(2+)-sensitive molecular switch and calmodulin binding domain acting as Ca(2+)-stimulated autophosphorylation-sensitive molecular switch, has been described (Sathyanarayanan, P. V., Cremo, C. R., and Poovaiah, B. W. (2000) J. Biol. Chem. 275, 30417-30422). Here we report the identification of Ca(2+)-stimulated autophosphorylation site of CCaMK by matrix-assisted laser desorption ionization time of flight-mass spectrometry. Thr(267) was confirmed as the Ca(2+)-stimulated autophosphorylation site by post-source decay experiments and by site-directed mutagenesis. The purified T267A mutant form of CCaMK did not show Ca(2+)-stimulated autophosphorylation, autophosphorylation-dependent variable calmodulin affinity, or Ca(2+)/calmodulin stimulation of kinase activity. Sequence comparison of CCaMK from monocotyledonous plant (lily) and dicotyledonous plant (tobacco) suggests that the autophosphorylation site is conserved. This is the first identification of a phosphorylation site specifically responding to activation by second messenger system (Ca(2+) messenger system) in plants. Homology modeling of the kinase and calmodulin binding domain of CCaMK with the crystal structure of calcium/calmodulin-dependent protein kinase 1 suggests that the Ca(2+)-stimulated autophosphorylation site is located on the surface of the kinase and far from the catalytic site. Analysis of Ca(2+)-stimulated autophosphorylation with increasing concentration of CCaMK indicates the possibility that the Ca(2+)-stimulated phosphorylation occurs by an intermolecular mechanism.

Non-NASA Center↗

NASA NTRS2017

Ecological Study of Lagoons Surrounding the John F. Kennedy Space Center, Brevard County, Florida : Theses and Project Reports - Volume 2

Many of the detailed studies done in connection with Ecological Study of the Lagoons surrounding the John F. Kennedy Space Port were performed as Master's Thesis investigations by various graduate students enrolled at F. I. T. during and subsequent to the report. The scope and purpose of what we came to call "the KSC Baseline Study" caught the imagination and interest of our student body. Many who were not financially or otherwise connected with the project found their inspiration in studies that were directly connected with project, and thus added materially to the totality of the knowledge gained. An example of one such study is the first article included in this Volume, A Master's Thesis study performed by Shen Phillip Chen, who chose the site for his investigation so that his results would correlate with and extend the results of others. In addition to the Master's Theses contained in this Volume, six other graduate studies must be acknowledged here as contributing to this Report, although they have not reached the stage of final publication. Ms. Sandra Fettes has completed a study of the amounts of five trace metals in mangrove leaves from plants at various locations around the Kennedy Space Center. Mr. Bernard Cohenour has isolated and identified a number of oil consuming bacteria endemic in the waters of the Indian Rivers. Mr. Charles Waterhouse has analyzed historic data of tidal gauges in the lagoonal area and correlated it with wind field records. Mr. Renkert Meyer has measured the vertical and horizontal currents of the lagoons and is attempting an interpretation of them in terms of the wind field as a driving force. Mr. Richard Campbell has measured the rate of nitrogen fixation in both the water columns and the sediments under them in the lagoons. Mr. Craig Weiderhold has measured thl3 annual variations in the populations of benthic invertebrates in the lagoons. An integral part of the F. I. T. curriculum is a requirement that each undergraduate student perform an independent study during his Senior year and submit his results in the form and format of a professional scientific report. While none of these senior Project Reports have been included in this Volume because of space limitations, many of them aided significantly in the overall study. Typical of these were: light and dark bottle studies of the blue-green algae respiration; writing and executing computer studies comparing the water chemistry data from various sites; detection and identification of nitrogen fixation bacteria in the Indian River; measurement of dissolved oils and greases in the river, photographically recording the benthic life-forms found in the river bottom; measuring the vertical structure of drift and slope currents in too lagoons; and measurement of water level variations along the long axis of a lagoon as a function of wind stress. These articles are published as a part of this Final Report in an effort to make available for the record as much of the basic data as possible. The few articles published on the Indian River have in general not contained much detailed data, so that comparisons of current status to conditions of the past are difficult or impossible. A major effort of both the Oceanographic and Ecological communities for the past decade has been the retrieval and storage of basic data in order to permit determinations of trends or changes in baseline conditions. It is believed that the information compiled here will be of great value in any future investigations.

Source record↗

NASA NTRS2015

Robotic Reconnaissance Missions to Small Bodies and Their Potential Contributions to Human Exploration

Introduction: Robotic reconnaissance missions to small bodies will directly address aspects of NASA's Asteroid Initiative and will contribute to future human exploration. The NASA Asteroid Initiative is comprised of two major components: the Grand Challenge and the Asteroid Mission. The first component, the Grand Challenge, focuses on protecting Earth's population from asteroid impacts by detecting potentially hazardous objects with enough warning time to either prevent them from impacting the planet, or to implement civil defense procedures. The Asteroid Mission involves sending astronauts to study and sample a near- Earth asteroid (NEA) prior to conducting exploration missions of the Martian system, which includes Phobos and Deimos. The science and technical data obtained from robotic precursor missions that investigate the surface and interior physical characteristics of an object will help identify the pertinent physical properties that will maximize operational efficiency and reduce mission risk for both robotic assets and crew operating in close proximity to, or at the surface of, a small body. These data will help fill crucial strategic knowledge gaps (SKGs) concerning asteroid physical characteristics that are relevant for human exploration considerations at similar small body destinations. Small Body Strategic Knowledge Gaps: For the past several years NASA has been interested in identifying the key SKGs related to future human destinations. These SKGs highlight the various unknowns and/or data gaps of targets that the science and engineering communities would like to have filled in prior to committing crews to explore the Solar System. An action team from the Small Bodies Assessment Group (SBAG) was formed specifically to identify the small body SKGs under the direction of the Human Exploration and Operations Missions Directorate (HEOMD), given NASA's recent interest in NEAs and the Martian moons as potential human destinations [1]. The action team organized the SKGs into four broad themes: 1) Identify human mission targets; 2) Understand how to work on and interact with the small body surface; 3) Understand the small body environment and its potential risk/benefit to crew, systems, and operational assets; and 4) Understand the small body resource potential. Each of these themes were then further subdivided into categories to address specific SKG issues. Robotic Precursor Contributions to SKGs: Robotic reconnaissance missions should be able to address specific aspects related to SKG themes 1 through 4. Theme 1 deals with the identification of human mission targets within the NEA population. The current guideline indicates that human missions to fastspinning, tumbling, or binary asteroids may be too risky to conduct successfully from an operational perspective. However, no spacecraft mission has been to any of these types of NEAs before. Theme 2 addresses the concerns about interacting on the small body surface under microgravity conditions, and how the surface and/or sub-surface properties affect or restrict the interaction for human exploration. The combination of remote sensing instruments and in situ payloads will provide good insight into the asteroid's surface and subsurface properties. SKG theme 3 deals with the environment in and around the small body that may present a nuisance or hazard to any assets operating in close proximity. Impact and surface experiments will help address issues related to particle size, particle longevity, internal structure, and the near-surface mechanical stability of the asteroid. Understanding or constraining these physical characteristics are important for mission planning. Theme 4 addresses the resource potential of the small body. This is a particularly important aspect of human exploration since the identification and utilization of resources is a key aspect for deep space mission architectures to the Martian system (i.e., Phobos and Deimos). Conclusions: Robotic reconnaissance of small bodies can provide a wealth of information relevant to the science and planetary defense of NEAs. However, such missions to investigate NEAs can also provide key insights into small body strategic knowledge gaps and contribute to the overall success for human exploration missions to asteroids.

Abell, P. A.↗

DOE OSTI2021

Constrained Block Nonlinear Neural Dynamical Models

Neural network modules conditioned by known priors can be effectively trained and combined to represent systems with nonlinear dynamics. This work explores a novel formulation for data-efficient learning of deep control-oriented nonlinear dynamical models by embedding local model structure and constraints. The proposed method consists of neural network blocks that represent input, state, and output dynamics with constraints placed on the network weights and system variables. For handling partially observable dynamical systems, we utilize a state observer neural network to estimate the states of the system's latent dynamics. We evaluate the performance of the proposed architecture and training methods on system identification tasks for three nonlinear systems: a continuous stirred tank reactor, a two tank interacting system, and an aerodynamics body. Models optimized with a few thousand system state observations accurately represent system dynamics in open loop simulation over thousands of time steps from a single set of initial conditions. Experimental results demonstrate an order of magnitude reduction in open-loop simulation mean squared error for our constrained, block-structured neural models when compared to traditional unstructured and unconstrained neural network models.

Skomski, Elliott↗