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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Tuning Phase Purity in Chiral 2D Perovskites

The introduction of chiral organic spacers in low-dimensional metal-halide perovskites triggers chiroptical activity, which is appealing for spintronic applications. However, a comprehensive understanding of structure formation and the ability to control phase purity in such materials have yet to be developed. Herein, the impact of processing conditions on the phase purity, microstructure, and chiroptical properties of chiral 2D perovskites is explored. The anisotropic emergence of a 1D perovskite inside the 2D matrix and its dependence on the organic cation chirality, solvent, and thermal annealing conditions are shown. By controlling these parameters, the in-plane conductivity of the films is nearly doubled. Furthermore, it is demonstrated, for the first time, that solvent choice and the spatial configuration of the organic cation can have an impact on the residual lattice strain and the energetic disorder of the system. The fundamentals presented here can help to improve the film deposition methods for low-dimensional chiral perovskites, offering strategies to control phase purity.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Multivariate degradation modeling using generalized cauchy process and application in life prediction of dye-sensitized solar cells

Recently, the Generalized Cauchy (GC) process has been applied to capture a Long Memory (LM) phenomenon in product degradation modeling and life prediction. Compared with the traditional fractional Brownian motion that captures the LM using a single Hurst parameter, the GC process has two free parameters (Hurst and fractal dimension parameters) that flexibly capture both global LM and local irregularity. However, all existing GC-based degradation models are for a single Degradation Characteristic (DC). In this article, motivated by a real degradation problem of dye-sensitized solar cells that jointly exhibits multiple DCs, global LM, local irregularity and DC-wise cross-correlation, we propose a novel GC-based Multivariate Degradation Model (GC-MDM) to simultaneously capture the aforementioned effects. A maximum likelihood estimation approach is developed to estimate parameters of the GC-MDM. Subsequently, product life prediction based on the GC-MDM is developed. The proposed GC-MDM is validated through a simulation study and a physical experiment of dye-sensitized solar cells. Furthermore, results show that the proposed GC-MDM fundamentally improves the life prediction accuracy in comparison with conventional degradation models which significantly misestimate the uncertainty of product life.

14 SOLAR ENERGY↗

DOE OSTI2021

A.I. for nuclear physics

Nuclear science is concerned with the understanding of the nature of matter, its basic constituents and their interaction to form the elements and the properties we observe. This includes the forms of matter we see around us and also exotic forms such as those that existed in the first moments after the Big Bang and that exist today inside neutron stars. The techniques, tools, and expertise needed for nuclear physics (NP) research are therefore diverse in nature. State-of-the art accelerators are being developed to illuminate the dynamical basis of the core of the atom in terms of the fundamental constituents called quarks and gluons and to increase the number of isotopes with known properties. This scientific infrastructure is reaching scales and complexities that require computational methods for tasks such as anomaly detection in operational data. New methodologies are needed to detect anomalies and to optimize operating parameters, predict failures as well as to discover new optimization algorithms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1979

Area scaling investigations of charging phenomena

The charging and discharging behavior of square, planar samples of silvered, fluorinated ethylene-propylene (FEP) Teflon thermal control tape was measured. The equilibrium voltage profiles scaled with the width of the sample. A wide range of discharge pulse characteristics was observed, and the area dependences of the peak current, charge, and pulse widths are described. The observed scaling of the peak currents with area was weaker than that previously reported. The discharge parameters were observed to depend strongly on the grounding impedance and the beam voltage. Preliminary results suggest that measuring only the return-current-pulse characteristics is not adequate to describe the spacecraft discharging behavior of this material. The seams between strips of tape appear to play a fundamental role in determining the discharging behavior. An approximate propagation velocity for the charge cleanoff was extracted from the data. The samples - 232, 1265, and 5058 square centimeters in area - were exposed at ambient temperature to a 1- to 2-nA/sq cm electron beam at energies of 10, 15, and 20 kilovolts in a 19-meter-long by 4.6-meter-diameter simulation facility at the Lewis Research Center.

Aron, P. R.↗

NASA NTRS1983

Post instability in continuous systems. II - Post-instability models of continua

New models simulating postinstability behavior of continuous systems are discussed. Multivalued velocity fields of the motion of a medium are analyzed, deriving concepts which are applied to a new model of turbulence. Postinstability models of solids are examined, emphasizing the multivaluedness of the parameters. The consequences are addressed of the simplifying assumption that in solids the rate of dissipation of energy of the pulsations is much higher than in fluids. The principal stress formulation of postinstability models is considered, including the geometry, kinematics, and dynamics of the principal stress coordinates. The fundamental properties of enlarged models of a solid are illustrated by the theory of wrinkling films. Results are presented for the statics of such films, the effects of shocks and shock waves, and the behavior of singular effects and singular thick wrinkles.

Zak, M.↗

NASA NTRS1990

Free vibrations of thin-walled semicircular graphite-epoxy composite frames

A detailed study is made of the effects of variations in lamination and material parameters of thin walled composite frames on their vibrational characteristics. The structures considered are semicircular thin walled frames with I and J sections. The flanges and webs of the frames are modeled by using 2-D shell and plate finite elements. A mixed formulation is used with the fundamental unknowns consisting of both the generalized displacements and stress resultants in the frame. The frequencies and modes predicted by the 2-D finite element model are compared with those obtained from experiments, as well as with the predictions of a non-dimensional thin walled beam finite element model. A detailed study is made of the sensitivity of the vibrational response to variations in the fiber orientation, material properties of the individual layers, and boundary conditions.

Carden, Huey D.↗

NASA NTRS1990

Free vibrations of thin-walled semicircular graphite-epoxy composite frames

A detailed study is made of the effects of variations in lamination and material parameters of thin walled composite frames on their vibrational characteristics. The structures considered are semicircular thin walled frames with I and J sections. The flanges and webs of the frames are modelled by using 2-D shell and plate finite elements. A mixed formulation is used with the fundamental unknowns consisting of both the generalized displacements and stress resultants in the frames. The frequencies and modes predicted by the 2-D finite element model are compared with those obtained from experiments, as well as with the predictions of a 1-D thin walled beam finite element model. A detailed study is made of the sensitivity of the vibrational response to variations in the fiber orientation, material properties of the individual layers, and boundary conditions.

Noor, Ahmed K.↗

NASA NTRS1990

Free vibrations of thin-walled semicircular graphite-epoxy composite frames

Carden, Huey D.↗

NASA NTRS1994

Design and evaluation of an electromagnetic beam waveguide for measuring electrical properties of materials

A beam waveguide was designed that is based upon the propagation characteristics of the fundamental Gaussian beam and the focusing properties of spherical dielectric lenses. The 20-GHz, two-horn, four-lens system was constructed and experimentally evaluated by probing the field in a plane perpendicular to the beam axis at the center of the beam waveguide system. The critical parameters were determined by numerical sensitivity studies, and the lens-horn critical spacing was adjusted to better focus the beam at the probe plane. The measured performance was analyzed by consideration of higher order Gaussian-Laguerre beam modes. The beam waveguide system was successfully used in the measurements of the electromagnetic transmission properties of Shuttle thermal-protection tiles while the tile surface was being heated to reentry-level temperatures with a high-power laser.

Bailey, M. C.↗

NASA NTRS2004

Parametric Study for Increasing On-Station Duration via Unconventional Aircraft Launch Approach

The need for better atmospheric predictions is causing the atmospheric science community to look for new ways to obtain longer, higher-resolution measurements over several diurnal cycles. The high resolution, in-situ measurements required to study many atmospheric phenomena can be achieved by an Autonomous Aerial Observation System (AAOS); however, meeting the long on-station time requirements with an aerial platform poses many challenges. Inspired by the half-scale drop test of the deployable Aerial Regional-scale Environmental Survey (ARES) Mars airplane, a study was conducted at the NASA Langley Research Center to examine the possibility of increasing on-station time by launching an airplane directly at the desired altitude. The ARES Mars airplane concept was used as a baseline for Earth atmospheric flight, and parametric analyses of fundamental configuration elements were performed to study their impact on achieving desired on-station time with this class of airplane. The concept involved lifting the aircraft from the ground to the target altitude by means of an air balloon, thereby unburdening the airplane of ascent requirements. The parameters varied in the study were aircraft wingspan, payload, fuel quantity, and propulsion system. The results show promising trends for further research into aircraft-payload design using this unconventional balloon-based launch approach.

Kuhl, Christopher A.↗

NASA NTRS2005

Evidence for Harmonic Content and Frequency Evolution of Oscillations During the Rising Phase of X-ray Bursts From 4U 1636-536

We report on a study of the evolution of burst oscillation properties during the rising phase of X-ray bursts from 4U 1636-536 observed with the proportional counter array (PCA) on board the Rossi X-Ray Timing Explorer (RXTE) . We present evidence for significant harmonic structure of burst oscillation pulses during the early rising phases of bursts. This is the first such detection in burst rise oscillations, and is very important for constraining neutron star structure parameters and the equation of state models of matter at the core of a neutron star. The detection of harmonic content only during the initial portions of the burst rise is consistent with the theoretical expectation that with time the thermonuclear burning region becomes larger, and hence the fundamental and harmonic amplitudes both diminish. We also find, for the first time from this source, strong evidence of oscillation frequency increase during the burst rise. The timing behavior of harmonic content, amplitude, and frequency of burst rise oscillations may be important in understanding the spreading of thermonuclear flames under the extreme physical conditions on neutron star surfaces.

Bgattacharyya, Sudip↗

NASA NTRS2010

Static Characteristics of the Ferroelectric Transistor Inverter

The inverter is one of the most fundamental building blocks of digital logic, and it can be used as the foundation for understanding more complex logic gates and circuits. This paper presents the characteristics of an inverter circuit using a ferroelectric field-effect transistor. The voltage transfer characteristics are analyzed with respect to varying parameters such as supply voltage, input voltage, and load resistance. The effects of the ferroelectric layer between the gate and semiconductor are examined, and comparisons are made between the inverters using ferroelectric transistors and those using traditional MOSFETs.

Mitchell, Cody↗

NASA NTRS2010

A Data Filter for Identifying Steady-State Operating Points in Engine Flight Data for Condition Monitoring Applications

This paper presents an algorithm that automatically identifies and extracts steady-state engine operating points from engine flight data. It calculates the mean and standard deviation of select parameters contained in the incoming flight data stream. If the standard deviation of the data falls below defined constraints, the engine is assumed to be at a steady-state operating point, and the mean measurement data at that point are archived for subsequent condition monitoring purposes. The fundamental design of the steady-state data filter is completely generic and applicable for any dynamic system. Additional domain-specific logic constraints are applied to reduce data outliers and variance within the collected steady-state data. The filter is designed for on-line real-time processing of streaming data as opposed to post-processing of the data in batch mode. Results of applying the steady-state data filter to recorded helicopter engine flight data are shown, demonstrating its utility for engine condition monitoring applications.

Simon, Donald L.↗

NASA NTRS2021

Mineral Dust Cycle in the Multiscale Online Nonhydrostatic AtmospheRe CHemistry Model (Monarch) Version 2.0

We present the dust module in the Multiscale Online Non-hydrostatic AtmospheRe CHemistry model (MONARCH) version 2.0, a chemical weather prediction system that can be used for regional and global modeling at a range of resolutions. The representations of dust processes in MONARCH were upgraded with a focus on dust emission (emission parameterizations, entrainment thresholds, considerations of soil moisture and surface cover), lower boundary conditions (roughness, potential dust sources), and dust–radiation interactions. MONARCH now allows modeling of global and regional mineral dust cycles using fundamentally different paradigms, ranging from strongly simplified to physics-based parameterizations. We present a detailed description of these updates along with four global benchmark simulations, which use conceptually different dust emission parameterizations, and we evaluate the simulations against observations of dust optical depth. We determine key dust parameters, such as global annual emission/deposition flux, dust loading, dust optical depth, mass-extinction efficiency, single-scattering albedo, and direct radiative effects. For dust-particle diameters up to 20 µm, the total annual dust emission and deposition fluxes obtained with our four experiments range between about 3500 and 6000 Tg, which largely depend upon differences in the emitted size distribution. Considering ellipsoidal particle shapes and dust refractive indices that account for size-resolved mineralogy, we estimate the global total (longwave and shortwave) dust direct radiative effect (DRE) at the surface to range between about −0.90 and −0.63 W m−2 and at the top of the atmosphere between −0.20 and −0.28 W m−2. Our evaluation demonstrates that MONARCH is able to reproduce key features of the spatiotemporal variability of the global dust cycle with important and insightful differences between the different configurations.

Dust cycle↗

NASA NTRSDate not supplied

Isolating the Surface Type Influence on Arctic Cloud Properties

In response to anthropogenic climate change, substantial declines in sea ice have been observed. An urgent question is whether and how clouds respond to the changing Arctic surface. Due to the important radiative influence of clouds, the response of clouds to sea ice cover change constitutes a potentially important climate feedback within the Arctic. The sign of this feedback is strongly influenced by the seasonality of the cloud response to sea ice loss. Given the importance of this phenomenon, previous research focused on using observations of inter-annual variability to quantify the cloud-sea ice relationship. However, the reliance on inter-annual variability to assess the covariance between clouds and sea ice make it challenging to control for the influence of large-scale meteorology on the clouds. We have devised an approach that applies an in situ, airborne observational strategy to quantify the influence of surface type on Arctic clouds to satellite data. Our event-based method composites cloud property differences for ocean, marginal ice zone, and sea ice surface types for >5000 MIZ crossing events. We find that cloud properties in non-summer months below ~1.5 km are influenced by surface type such that greater cloud fraction and water content are found over ocean relative to sea ice regions. Results are statistically significantly at the 95% confidence level. During summer, the surface type does not influence the cloud properties. The primary cause of the surface type dependent cloud property differences is the thermodynamic profiles differences that occur between the two surface types: namely, ocean footprints are warmer, moister, have more positive surface turbulent fluxes and are less stable than their sea ice counterparts. We find that the differences in thermodynamic profiles by surface type that correspond to the cloud property differences also explains a significant portion of the variability across events. Our analysis provides evidence that the influence of surface type on cloud properties fundamentally occurs due to the inherent surface temperature differences between the surface types. Significant surface type influences on cloud properties are only found in the presence of surface temperature differences between the surface types and only non-summer months meet this criterion. A conceptual model of this process is as follows, fundamental properties of the ocean and sea ice surface types (e.g., surface albedo, heat capacity/thermal inertia, surface roughness, and thermal conductance) lead to systematic differences in the surface temperature by surface type. In response to this surface temperature difference, atmosphere boundary layer processes (including turbulent mixing and radiation) communicate the surface temperature differences to the lower atmosphere driving the greater stability over sea ice than ocean. These differences in the background thermodynamic state profiles between the surface types yield atmospheric conditions that are more conducive to cloud development over ocean than sea ice. The details of these boundary layer processes are sensitive to the surface type but may not be fundamental to the resulting thermodynamic structure and cloud differences. Thus, our results indicate that to accurately model that cloud response to sea ice loss in climate models the surface type properties that yield the systematic differences in ocean and sea ice temperature (e.g., surface albedo, surface turbulent fluxes parameters, and thermal conductance) must be accurately represented.

Arctic radiation budget↗

DOE OSTI2025

Computational Modeling of Molten Salt Infiltration and Oxidation in Nuclear Graphite

Graphite is utilized as a moderator and reflector in advanced nuclear reactor designs due to its high thermal conductivity, neutron moderation properties, and resistance to radiation damage. However, its longterm performance and reliability are challenged by degradation mechanisms such as molten salt infiltration in molten salt reactors (MSRs) and oxidation in gas-cooled reactors (GCRs). These mechanisms can compromise the structural integrity and operational lifetime of graphite components, necessitating a more detailed assessment of their physical behavior. This report focuses on the development of computational models for molten salt infiltration and oxidation of graphite to aid the design and performance analysis of graphite components. For molten salt infiltration, a computational framework is developed that couples incompressible Navier-Stokes and phase-field model to simulate the penetration of molten salt into graphite?s interconnected pore structure. Initial model verification is performed using two-phase flows in two dimensions, demonstrating the models ability to capture fundamental physical behavior and agree with analytical solution. This framework is then applied to a realistic IG110 nuclear graphite , where a computed tomography extracted pore geometry is used to analyse the infiltration behavior of FLiNaK molten salt. This model provides insights into how the microstructure and other relevant parameters influence the transport pathways of molten salt into graphite, potentially offering a means to rapidly evaluate a graphite grade?s resistance to infiltration. For oxidation, the report details pore-scale mass and heat transport models, describing the diffusion of gases, reaction kinetics, and thermal effects. Additionally, this report highlights inconsistencies in the existing volume-averaged macroscopic model, particularly in upscaling of reaction kinetics and flux terms, and surface to volume transformations. These inconsistencies suggest that current formulations may not accurately capture the experimentally observed graphite oxidation process, highlighting the need for improved model development. This work advances the development of physics-based computational models for graphite degradation, contributing to improved predictive models for next-generation nuclear reactor designs. Future efforts will focus on refining the infiltration model to address non-physical behaviors and enhance its robustness. Additionally, for oxidation, further studies will employ the principles of volume averaging to rigorously derive the upscaled equations, potentially in collaboration with subject matter experts.

Computational Modeling of Molten Salt Infiltration↗

DOE OSTI2022

High-yield and high-angular-fluence neutron generation from deuterons accelerated by laser-driven collisionless shock

Since a bright collimated neutron source is an essential tool for global security missions and fundamental scientific research. In this paper, we study a compact high-yield and high-angular-fluence neutron source particularly suitable for high-energy neutron applications utilizing the breakup reaction of laser-driven deuterons in a 9 Be converter. The neutron generation scaling from such a reaction is used to guide the choice and optimization of the acceleration process for bulk ions in a low density CD 2 foam. In particular, the collisionless shock acceleration mechanism is exploited with proper choice in the laser and target parameter space to accelerate these ions toward energies above the temperature of the distribution. Particle-in-cell and Monte Carlo simulations are coupled here to investigate this concept and possible adverse effects as well as the contribution from the surface ions accelerated and the optimal converter design. The simulation results indicated that our design can be a practical approach to increase both the neutron yield and angular fluence of laser-driven neutron sources, reaching >10 11 neutron/pulse (or >10 8 neutron/J) and >10 11 neutron/sr (or >10 8 neutron/sr/J) with present-day kJ-class high-power lasers. Such developments will advance fundamental neutron science, high precision radiography, and other global security applications with laser-driven sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Progress in end-to-end optimization of fundamental physics experimental apparata with differentiable programming

In this article we examine recent developments in the research area concerning the creation of end-to-end models for the complete optimization of measuring instruments. The models we consider rely on differentiable programming methods and on the specification of a software pipeline including all factors impacting performance — from the data-generating processes to their reconstruction and the inference on the parameters of interest — along with the careful specification of a utility function well aligned with the end goals of the experiment. Building on previous studies originated within the MODE Collaboration, we focus specifically on applications involving instruments for particle physics experimentation, as well as industrial and medical applications that share the detection of radiation as their data-generating mechanism. This report illustrates the most recent advancements in the area, and outlines, for each of the discussed applications as well as for automatic differentiation itself, ongoing and future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗