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DOE OSTI2020

Application of a long short-term memory for deconvoluting conductance contributions at charged ferroelectric domain walls

Ferroelectric domain walls are promising quasi-2D structures that can be leveraged for miniaturization of electronics components and new mechanisms to control electronic signals at the nanoscale. Despite the significant progress in experiment and theory, however, most investigations on ferroelectric domain walls are still on a fundamental level, and reliable characterization of emergent transport phenomena remains a challenging task. Here, we apply a neural-network-based approach to regularize local I ( V )-spectroscopy measurements and improve the information extraction, using data recorded at charged domain walls in hexagonal (Er 0.99 ,Zr 0.01 )MnO 3 as an instructive example. Using a sparse long short-term memory autoencoder, we disentangle competing conductivity signals both spatially and as a function of voltage, facilitating a less biased, unconstrained and more accurate analysis compared to a standard evaluation of conductance maps. The neural-network-based analysis allows us to isolate extrinsic signals that relate to the tip-sample contact and separating them from the intrinsic transport behavior associated with the ferroelectric domain walls in (Er 0.99 ,Zr 0.01 )MnO 3 . Our work expands machine-learning-assisted scanning probe microscopy studies into the realm of local conductance measurements, improving the extraction of physical conduction mechanisms and separation of interfering current signals.

36 MATERIALS SCIENCE↗

DOE OSTI2022

AtomAI framework for deep learning analysis of image and spectroscopy data in electron and scanning probe microscopy

Over the past several decades, electron and scanning probe microscopes have become critical components of condensed matter physics, materials science and chemistry research. At the same time, the infrastructure for establishing a connection between microscopy observations and materials behaviour over a broader parameter space is lacking. In this work, we introduce AtomAI, an open-source software package bridging instrument-specific Python libraries, deep learning and simulation tools into a single ecosystem. AtomAI allows direct applications of deep neural networks for atomic and mesoscopic image segmentation converting image and spectroscopy data into class-based local descriptors for downstream tasks such as statistical and graph analysis. For atomically resolved imaging data, the output is types and positions of atomic species, with an option for subsequent refinement. AtomAI further allows the implementation of a broad range of image and spectrum analysis functions, including invariant variational autoencoders for disentangling structural factors of variation and im2spec type of encoder–decoder models for mapping structure–property relationships. Finally, our framework allows seamless connection to the first principles modelling with a Python interface on the inferred atomic positions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Probing primordial power spectrum and non-Gaussianities with fast radio bursts

We use the precision measurements of the arrivaltime differences of the same fast radio burst (FRB) source along multiple sightlines to measure the primordial power spectrum and Non-Gaussianities. The anticipated experiment requires a sightline separation of 100 AU, achieved by sending three or more radio telescopes to the outer solar system.The Shapiro time delays, measured relatively between different telescopes, are sensitive to the gradient field of the gravitational potential between different sightlines. Since the arrival time difference is independent of when the transient signal is emitted from the source, every measurement of the detected FRB source can be correlated. With enough FRB sources discovered, we can map the gravitational potential across the sky. We further calculate the two-point and three-point correlation function of the arrival time difference between telescopes for different FRB sources in the sky. If 10$^{4}$ FRBs were to be detected, our results suggest that this technique can test the inflationary scale-invariant power spectrum down to ∼ 10$^{3}$ Mpc$^{-1}$ and primordial Non-Gaussianities at a level of f$_{NL}$ ∼ 1.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Dark Energy Survey Year 3 results: $w$CDM cosmology from simulation-based inference with persistent homology on the sphere

We present cosmological constraints from Dark Energy Survey Year 3 (DES Y3) weak lensing data using persistent homology, a topological data analysis technique that tracks how features like clusters and voids evolve across density thresholds. For the first time, we apply spherical persistent homology to galaxy survey data through the algorithm TopoS2, which is optimized for curved-sky analyses and HEALPix compatibility. Employing a simulation-based inference framework with the Gower Street simulation suite, specifically designed to mimic DES Y3 data properties, we extract topological summary statistics from convergence maps across multiple smoothing scales and redshift bins. After neural network compression of these statistics, we estimate the likelihood function and validate our analysis against baryonic feedback effects, finding minimal biases (under $0.3σ$) in the $Ω_\mathrm{m}-S_8$ plane. Assuming the $w$CDM model, our combined Betti numbers and second moments analysis yields $S_8 = 0.821 \pm 0.018$ and $Ω_\mathrm{m} = 0.304\pm0.037$-constraints 70% tighter than those from cosmic shear two-point statistics in the same parameter plane. Our results demonstrate that topological methods provide a powerful and robust framework for extracting cosmological information, with our spherical methodology readily applicable to upcoming Stage IV wide-field galaxy surveys.

Prat, J. [Nordita; Royal Inst. Tech., Sodertalje; ↗

DOE OSTI2020

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Neutron sub-micrometre tomography from scattering data

Neutrons are valuable probes for various material samples across many areas of research. Neutron imaging typically has a spatial resolution of larger than 20 µm, whereas neutron scattering is sensitive to smaller features but does not provide a real-space image of the sample. A computed-tomography technique is demonstrated that uses neutron-scattering data to generate an image of a periodic sample with a spatial resolution of ∼300 nm. The achieved resolution is over an order of magnitude smaller than the resolution of other forms of neutron tomography. This method consists of measuring neutron diffraction using a double-crystal diffractometer as a function of sample rotation and then using a phase-retrieval algorithm followed by tomographic reconstruction to generate a map of the sample's scattering-length density. Topological features found in the reconstructions are confirmed with scanning electron micrographs. This technique should be applicable to any sample that generates clear neutron-diffraction patterns, including nanofabricated samples, biological membranes and magnetic materials, such as skyrmion lattices.

nanoscience↗

DOE OSTI2026

Dynamic aperture studies at the Fermilab recycler ring

As part of the Proton Improvement Plan II (PIP-II), Fermilab aims to increase beam intensity delivered to neutrino experiments. In this context, higher intensity injection into the Recycler Ring enhances space charge effects, pushing operations closer to third-order resonances. These resonances reduce the Dynamic Aperture (DA), leading to increased beam loss. This study presents simulations of DA as a function of tune in the Recycler Ring, incorporating chaos indicators such as the Reversibility Error Method (REM) and Frequency Map Analysis (FMA). The effectiveness of existing resonance mitigation strategies is evaluated by quantifying their ability to delay DA degradation. Additionally, the study examines how space charge detuning and DA limitations dictate viable operational tune points for the Recycler Ring.

Gonzalez-Ortiz, Cristhian [Fermilab]↗

DOE OSTI2021

The Simons Observatory Microwave SQUID Multiplexing Detector Module Design

Advances in cosmic microwave background (CMB) science depend on increasing the number of sensitive detectors observing the sky. New instruments deploy large arrays of superconducting transition-edge sensor (TES) bolometers tiled densely into ever larger focal planes. High multiplexing factors reduce the thermal loading on the cryogenic receivers and simplify their design. We present the design of focal-plane modules with an order of magnitude higher multiplexing factor than has previously been achieved with TES bolometers. We focus on the novel cold readout component, which employs microwave SQUID multiplexing (μmux). Simons Observatory will use 49 modules containing 70,000 bolometers to make exquisitely sensitive measurements of the CMB. We validate the focal-plane module design, presenting measurements of the readout component with and without a prototype detector array of 1728 polarization-sensitive bolometers coupled to feedhorns. The readout component achieves a 95% yield and a 910 multiplexing factor. The median white noise of each readout channel is 65 . This impacts the projected SO mapping speed by <8%, which is less than is assumed in the sensitivity projections. The results validate the full functionality of the module. We discuss the measured performance in the context of SO science requirements, which are exceeded.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1973

Mariner 9 extended mission sequence design optimization

This paper discusses the Mariner 9 science sequence design during the extended mission including science objectives, and mission operation and spacecraft constraints. The primary objectives of the extended mission were to complete 100% mapping of the planet, photograph special interest targets, obtain high resolution coverage of prospective Viking landing sites, and to function through the superior conjunction period. The optimization of planet viewing characteristics by moving to different celestial reference stars, and the techniques used to efficiently allocate science links to data taking days are described.

Reichert, R. J.↗

NASA NTRS1975

The evolution of the SEASAT imaging radar

The paper describes the design parameters and development of a synthetic aperture radar for use on the SEASAT spacecraft. This imaging radar is designed to operate at altitudes of 800 km with an orbital inclination of 108 deg, a nominal resolution of 25 m, and a swath width of 100 km. The design evolved from planetary imaging radar studies conducted over many years where an L-band imaging radar was developed and tested on aircraft flights as a prototype system to map the surface of Venus. A solid-state transmitter is used where the pulse repetition frequency is a function of altitude and will be about 2kHz for a 12-m long antenna. The receiver consists of the receiver protector, input filters, the gain control, and the RF amplifier. The ground station uses the standard NASA receiver with a 10-m antenna. The correlator, either optical or digital, must be able to compensate for the pitch and yaw variations of the spacecraft as well as the inherent effective yaw caused by the rotation of the earth, and extract the range curvature and range walk effects.

Brown, W. E., Jr.↗

NASA NTRS1983

The inner edge of the plasma sheet and the diffuse aurora

Three dimensional measurements from the ISEE-1 low energy electron spectrometer are used to map the location of the inner edge of the plasma sheet and study the anisotropies in the electron distribution function associated with this boundary. Lower energy plasma sheet electrons have inner edges closer to the Earth than higher energies with the separations at different energies being larger near dawn and after dusk than at midnight. Lowest energy inner edges are frequently located adjacent to the plasmapause in the dawn hemisphere but are often separated from it in the dusk hemisphere by a gap of at least several Re. The energy dispersion is minimal in the afternoon quadrant where the inner edge is near the magnetopause and frequently oscillating on a time scale of minutes. The location of the inner edge is probably determined primarily by the motion of electrons in the existing electric and magnetic fields rather than by strong diffusion as has sometimes been supposed.

Fairfield, D. H.↗

NASA NTRS1984

The inner edge of the plasma sheet and the diffuse aurora

Three dimensional measurements from the ISEE-1 low energy electron spectrometer are used to map the location of the inner edge of the plasma sheet and study the anisotropies in the electron distribution function associated with this boundary. Lower energy plasma sheet electrons have inner edges closer to the earth than higher energies with the separations at different energies being larger near dawn and after dusk than at midnight. Lowest energy inner edges are frequently located adjacent to the plasmapause in the dawn hemisphere but are often separated from it in the dusk hemisphere by a gap of at least several Re. The energy dispersion is minimal in the afternoon quadrant where the inner edge is near the magnetopause and frequently oscillating on a time scale of minutes. The location of the inner edge is probably determined primarily by the motion of electrons in the existing electric and magnetic fields rather than by strong diffusion as has sometimes been supposed. Previously announced in STAR as N83-32595

Fairfield, D. H.↗

NASA NTRS1984

Structure and Growth of the Marine Boundary Layer

LANDSAT visible imagery and a one-dimensional Lagrangian boundary layer model were used to hypothesize the nature and the development of the marine boundary layer during a winter episode of strong seaward cold air advection. Over-water heating and moistening of the cold, dry continental air is estimable from linear relations involving horizontal gradients of the near-surface air temperature and humidity. A line of enhanced convection paralleling the Atlantic U.S. coast from south of New York Bay to the vicinity of Virginia Beach, VA was attributed to stronger convergence at low levels. This feature was characterized as a mesoscale front. With the assistance of a three-dimensional mesoscale boundary layer model, initialized with data obtained from the MASEX, the marine boundary layer can be mapped over the entire Atlantic coastal domain and the evolution of the boundary layer can be studied as a function of different characteristics of important surface level forcings. The effects on boundary layer growth due to the magnitude and pattern of sea surface temperature, to the shape of the coastline, and to atmospheric conditions, such as the orientation of the prevailing wind are examined.

Mccumber, M.↗

NASA NTRS1991

The real-time control of planetary rovers through behavior modification

It is not yet clear of what type, and how much, intelligence is needed for a planetary rover to function semi-autonomously on a planetary surface. Current designs assume an advanced AI system that maintains a detailed map of its journeys and the surroundings, and that carefully calculates and tests every move in advance. To achieve these abilities, and because of the limitations of space-qualified electronics, the supporting rover is quite sizable, massing a large fraction of a ton, and requiring technology advances in everything from power to ground operations. An alternative approach is to use a behavior driven control scheme. Recent research has shown that many complex tasks may be achieved by programming a robot with a set of behaviors and activation or deactivating a subset of those behaviors as required by the specific situation in which the robot finds itself. Behavior control requires much less computation than is required by tradition AI planning techniques. The reduced computation requirements allows the entire rover to be scaled down as appropriate (only down-link communications and payload do not scale under these circumstances). The missions that can be handled by the real-time control and operation of a set of small, semi-autonomous, interacting, behavior-controlled planetary rovers are discussed.

Miller, David P.↗

NASA NTRS1994

Design of a walking robot

Carnegie Mellon University's Autonomous Planetary Exploration Program (APEX) is currently building the Daedalus robot; a system capable of performing extended autonomous planetary exploration missions. Extended autonomy is an important capability because the continued exploration of the Moon, Mars and other solid bodies within the solar system will probably be carried out by autonomous robotic systems. There are a number of reasons for this - the most important of which are the high cost of placing a man in space, the high risk associated with human exploration and communication delays that make teleoperation infeasible. The Daedalus robot represents an evolutionary approach to robot mechanism design and software system architecture. Daedalus incorporates key features from a number of predecessor systems. Using previously proven technologies, the Apex project endeavors to encompass all of the capabilities necessary for robust planetary exploration. The Ambler, a six-legged walking machine was developed by CMU for demonstration of technologies required for planetary exploration. In its five years of life, the Ambler project brought major breakthroughs in various areas of robotic technology. Significant progress was made in: mechanism and control, by introducing a novel gait pattern (circulating gait) and use of orthogonal legs; perception, by developing sophisticated algorithms for map building; and planning, by developing and implementing the Task Control Architecture to coordinate tasks and control complex system functions. The APEX project is the successor of the Ambler project.

Whittaker, William↗

NASA NTRS1995

Application of Space Shuttle photography to studies of upper ocean dynamics

Three studies have been conducted using space shuttle imagery to explain the dynamics behavior of internal waves in the Atlantic and Indian Oceans and to derive tide-related parameters for Delaware Bay. By interpreting space shuttle photographs taken during mission STS-40, a total of 34 internal wave packets on the continental shelf of the Middle Atlantic Bight have been recognized. Using the finite-depth theory we derived that the maximum amplitude of solitons is 5.6 m, the phase speed 0.42 m/s, and the period 23.8 min. Deep-ocean internal waves in the western equatorial Indian Ocean on photographs taken during mission STS-44 were also interpreted and analyzed. The internal waves occurred in the form of a multisoliton packet in which there are about a dozen solitons. The average wavelength of the solitons is 1.8 +/- 0.5 km. The crest lines are mostly straight and reach as long as 100 km. The distance between two adjacent packets is about 66 km. Using the deepwater soliton theory, we derived that the mean amplitude of the solitons is 25 m, the nonlinear phase speed 1.7 m/s, and the average period 18 min. For both cases, the semidiural tides are the principal generating mechanism. The tide-related parameters of Delaware Bay were derived from space shuttle time-series photographs taken during mission STS-40. The water area in the bay were measured from interpretation maps of the photographs. The corresponding tidal levels were calculated using the exposure time. From these data, an approximate function relating the water area to the tidal level at a reference point was determined. Then, the water areas of the Delaware Bay at mean high water (MHW) and mean low water (MLW), below 0 m, for the tidal zone, and the tidal flux were inferred. All parameters derived were reasonable and compared well with results of previous investigations.

Zheng, Quanan↗

NASA NTRS1996

Characterization of zinc selenide single crystals

ZnSe single crystals of high quality and low impurity levels are desired for use as substrates in optoelectronic devices. This is especially true when the device requires the formation of homoepitaxial layers. While ZnSe is commercially available, it is at present extremely expensive due to the difficulty of growing single crystal boules with low impurity content and the resultant low yields. Many researchers have found it necessary to heat treat the crystals in liquid Zn in order to remove the impurities, lower the resistivity and activate the photoluminescence at room temperature. The physical vapor transport method (PVT) has been successfully used at MSFC to grow many single crystals of II-VI semiconducting materials including ZnSe. The main goal at NASA has been to try to establish the effect of gravity on the growth parameters. To this effect, crystals have been grown vertically upwards or horizontally. Both (111) and (110) oriented ZnSe crystals have been obtained via unseeded PVT growth. Preliminary characterization of the horizontally grown crystals has revealed that Cu is a major impurity and that the low temperature photoluminescence spectra is dominated by the copper peak. The ratio of the copper peak to the free exciton peak is being used to determine variations in composition throughout the crystal. It was the intent of this project to map the copper composition of various crystals via photoluminescence first, then measure their electrical resistivity and capacitance as a function of frequency before proceeding with a heat treatment designed to remove the copper impurities. However, equipment difficulties with the photoluminescence set up, having to establish a procedure for measuring the electrical properties of the as-grown crystals and time limitations made us re-evaluate the project goals. Vertically grown samples designated as ZnSe-25 were chosen to be measured electrically since they were not expected to show as much variation in their composition through their cross-section as the horizontally grown samples.

Gerhardt, Rosario A.↗

NASA NTRS1998

Vertical Distribution of Saharan Dust from the Goddard Three Dimensional Transport Model: Comparison with LITE Data

Spatial distributions of Saharan dust are simulated by the Goddard 3D chemistry transport model driven by meteorological fields from the Goddard Earth Observing System Data Assimilation System, GEOS-2 DAS. An aerosol module accounts for gravitational settling and the aerosol source function is based on surface moisture content and wind speed. The simulated aerosol fields are compared with Total Ozone Mapping Spectrometer (TOMS) by P. Ginoux in this session. The main focus is how ventilation of the assimilation winds will impact the simulated aerosol vertical distribution. Excessive ventilation would transport too much aerosol in the upper troposphere and lead to errors in the long range transport as well as errors in any radiative forcing calculations derived from the simulated aerosol fields. Simulated aerosol fields using GEOS-1 DAS wind fields for September 1994 will be compared with lidar observations during the Lidar In-space Technology Experiment (LITE). The lidar return signal clearly delineates the vertical extent and horizontal variability of the aerosol layer allowing rigorous comparison with the simulated fields. A second focus is the simulation of aerosol scavenging due to moist processes. Three-dimensional precipitation fields can be derived from two possible sources: Assimilated precipitation fields from GEOS-DAS or fields obtained from the Special Sensor Microwave/imager (SSM/1). Of interest is the sensitivity of the modeled aerosol fields to the different precipitation fields driving the moist scavenging module.

Weaver, Clark J.↗