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DOE OSTI2023

Structural origin of recovered ferroelectricity in BaTi O 3 nanoparticles

Nanoscale BaTiO 3 particles (≈10 nm) prepared by ball-milling a mixture of oleic acid and heptane have been reported to have an electric polarization several times larger than that for bulk BaTiO 3 . In this work, detailed local, intermediate, and long-range structural studies are combined with spectroscopic measurements to develop a model structure of these materials. The X-ray spectroscopic measurements reveal large Ti off-centering as the key factor producing the large spontaneous polarization in the nanoparticles. Temperature-dependent lattice parameter changes reveal the sharpening of the structural phase transitions in these BaTiO 3 nanoparticles compared to the pure nanoparticle systems. In conclusion, sharp crystalline-type peaks in the barium oleate Raman spectra suggest that this component in the composite core-shell matrix, a product of mechanochemical synthesis, stabilizes an enhanced polar structural phase of the BaTiO 3 core nanoparticles.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Gulf of Mexico Turbulence Intensity Model Data

The dataset is a subset of simulations carried out for the Gulf of Mexico region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing. Simulations are performed from January through June in 2020 and output every 10 minutes, which permits comparison with corresponding lidar observations.

17 WIND ENERGY↗

DOE OSTI2024

Gulf of Mexico Turbulence Intensity Model Data

The dataset is a subset of simulations carried out for the Gulf of Mexico region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from the NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing. Simulations are performed from January through June in 2020 and output every 10 minutes, which permits comparison with corresponding lidar observations.

17 WIND ENERGY↗

DOE OSTI2024

Mid-Atlantic Turbulence Intensity Data in Observational Space

The dataset archives observed and model-simulated turbulence intensity and meteorological profiles and timeseries at the Air-Sea Interaction Tower (ASIT) of Woods Hole Oceanographic Institution’s Martha’s Vineyard Coastal Observatory (MVCO). The observational data were measured by lidar and buoy deployed at ASIT. The simulated profiles and timeseries data are interpolated in time and/or space according to observations. Simulations were carried out for the mid-Atlantic region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles at the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing.

17 WIND ENERGY↗

DOE OSTI2024

Northern Pacific Turbulence Intensity Model Data in Observational Space

The dataset archives model-simulated turbulence intensity and meteorological profiles and timeseries at the lidar buoys sites off the coast of California (Humboldt and Morro Bay). The simulated data are interpolated in time and/or space according to observed quantities. The simulations were carried out for the north Pacific region using the revised Weather Research and Forecasting (WRF) model version 4.2 that incorporates the implementation of online turbulence intensity (TI) calculations (Tai et al. 2023). The simulated atmospheric profiles near the Shell Exploration and Production Corporation's Tension Leg Platforms Ursa and Mars are archived. Physics parameterizations chosen for the simulations include the Thompson microphysics parameterization, Mellor-Yamada-Nakanishi Niino (MYNN) boundary layer parameterization, Mellor-Yamada-Janjic surface layer parameterization, Unified Noah land-surface parameterization, and the RRTMG longwave and shortwave radiation parameterization. Initial and boundary conditions are taken from NOAA’s High-Resolution Rapid Refresh (HRRR) product. The JPL 0.01-degree Level 4 Multiscale Ultrahigh Resolution (MUR) Global Foundation Sea Surface Temperature (SST) Analysis (V4.1) data are used as the model’s SST forcing.

17 WIND ENERGY↗

NASA NTRS1992

Experimental measurement and theoretical modeling of microwave scattering and the structure of the sea surface influencing radar observations from space

The electromagnetic (EM) bias 'epsilon' is an error present in radar altimetry of the ocean due to the nonuniform reflection from wave troughs and crests. The EM bias is defined as the difference between the mean reflecting surface and the mean sea surface. A knowledge of the EM bias is necessary to permit error reduction in mean sea level measurements by satellite radar altimeters. Direct measurements of the EM bias were made from a Shell Offshore oil production platform in the Gulf of Mexico for a six month period during 1989 and 1990. Measurements of the EM bias were made at 5 and 14 Ghz. During the EM bias experiments by Melville et al., a wire wave gauge was used to obtain the modulation of the high frequency waves by the low frequency waves. It became apparent that the EM bias was primarily caused by the modulation of the short waves. This was reported by Arnold et al. The EM bias is explained using physical optics scattering and an empirical model for the short wave modulation. Measurements of the short wave modulation using a wire wave gauge demonstrated a linear dependence of the normalized bias on the short wave modulation strength, M. The theory accurately predicts this dependence by the relation epsilon = -alphaMH sub 1/3. The wind speed dependence of the normalized bias is explained by the dependence of the short wave modulation strength on the wind speed. While other effects such as long wave tilt and curvature will have an effect on the bias, the primary cause of the bias is shown to be due to the short wave modulation. This report will present a theory using physical optics scattering and an empirical model of the short wave modulation to estimate the EM bias. The estimated EM bias will be compared to measurements at C and Ku bands.

Arnold, David↗

NASA NTRS1993

The spectrum of the central star of the planetary nebula in M22

New optical observations of the central star of the planetary nebula IRAS 18333-2357 in the globular cluster M22 show lines of H I, He II, C IV, N IV, and N V. The spectrum closely resembles the sdO star KS 292, which has surface abundances enhanced by products of hydrogen shell burning and helium burning, and an effective temperature of 75,000 K. The lines of C in IRAS 18333-2357 seem somewhat stronger than in KS 292, and the lines of N are considerably stronger. The presence of substantial hydrogen is surprising in view of the hydrogen-poor nature of the nebular ejecta. If IRAS 18333-2357 is as hot as its analog, its luminosity is about 14,000 lunar luminosity. This value is higher than that theoretically expected for single-star evolution of M22 cluster stars.

Harrington, J. P.↗

NASA NTRS1992

Theoretical shell-model signatures in heavy-ion, coherent pion production

A comprehensive summary of a many-body, microscopic, particle-hole formalism is presented that describes coherent, subthreshold, pion production in peripheral, heavy-ion collisions. The formalism uses a new separable model transition interaction that produces Delta-hole states in either the projectile or target nucleus. Shell-model states described by harmonic oscillator functions are used in the calculation of Delta formation and decay and Lorentz-contraction effects of the nucleus not at rest are included. An analytical expression to lowest multipole order for the differential cross section is examined. The sensitivity of the theoretical results to the shell-model states is determined with preliminary shape results compared with data. The effects of higher multipoles are examined with attention paid to the second-order multipole value.

Maung, Khin M.↗

NASA NTRS2003

Hydrazine Catalyst Production: Sustaining S-405 Technology

The development of the iridium-based Shell 405 catalyst for spontaneous decomposition of hydrazine was one of the key enabling technologies for today's spacecraft and launch vehicles. To ensure that this crucial technology was not lost when Shell elected to exit the business, Aerojet, supported by NASA, has developed a dedicated catalyst production facility that will supply catalyst for future spacecraft and launch vehicle requirements. We have undertaken a program to transfer catalyst production from Shell Chemical USA (Houston, TX) to Aerojet's Redmond, WA location. This technology transition was aided by Aerojet's 30 years of catalyst manufacturing experience and NASA diligence and support in sustaining essential technologies. The facility has produced and tested S-405 catalyst to existing Shell 405 specifications and standards. Our presentation will describe the technology transition effort including development of the manufacturing facility, capture of the manufacturing process, test equipment validation, initial batch build and final testing.

Wucherer, E. J.↗

NASA NTRS1984

The Vega particulate shell - Comets or asteroids?

The Infrared Astronomical Satellite (IRAS) science team has discovered a shell of particulate material around the star Vega. At the mean distance and temperature of the shell, the expected condensation products from a protostellar nebula would be dominated by frozen volatiles, in particular water ice. It is not possible to discriminate between dirty ice and silicate materials in the Vega shell on the basis of the IRAS data. The Vega shell is probably a ring of cometary bodies with an estimated minimum mass of 15 earth masses, analogous to one that has been hypothesized for the solar system. A possible hot inner shell around Vega may be an asteroid-like belt of material a few astronomical units from the star.

Weissman, P. R.↗

NASA NTRS2014

Shell-NASA Vibration-Based Damage Characterization

This article describes collaborative research between Shell International Exploration and Production (IE&P) scientists and ISAG personnel to investigate the feasibility of ultrasonic-based characterization of spacecraft tile damage for in-space inspection applications. The approach was proposed by Shell personnel in a Shell-NASA "speed-matching" session in early 2011 after ISAG personnel described challenges inherent in the inspection of MMOD damage deep within spacecraft thermal protection system (TPS) tiles. The approach leveraged Shell's relevant sensor and analytical expertise. The research addressed the difficulties associated with producing 3D models of MMOD damage cavities under the surface of a TPS tile, given that simple image-based sensing is constrained by line of sight through entry holes that have diameters considerably smaller than the underlying damage cavities. Damage cavity characterization is needed as part of a vehicle inspection and risk reduction capability for long-duration, human-flown space missions. It was hoped that cavity characterization could be accomplished through the use of ultrasonic techniques that allow for signal penetration through solid material.

Rollins, John M.↗

NASA NTRS1995

Analysis/Design Tool

Excelerator II, developed by INTERSOLV, Inc., provides a complete environment for rules-based expert systems. The software incorporates NASA's C Language Integrated Production System (CLIPS), a shell for constructing expert systems. Excelerator II provides complex verification and transformation routines based on matching that is simple and inexpensive. *Excelerator II was sold to SELECT Software Tools in June 1997 and is now called SELECT Excelerator. SELECT has assumed full support and maintenance for the product line.

Source record↗

DOE OSTI2025

Dynamic Metal–Support Interaction Dictates Cu Nanoparticle Sintering on Al 2 O 3 Surfaces

Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model based on the Perdew–Burke–Ernzerhof approximation of density functional theory for Cu nanoparticles on three Al 2 O 3 surfaces (γ-Al 2 O 3 (100), γ-Al 2 O 3 (110), and α-Al 2 O 3 (0001)). Using DP-accelerated simulations, we reveal that the nanoparticle size-mobility relationship strongly depends on the supporting surface. The diffusion of nanoparticles on the two γ-Al 2 O 3 surfaces is almost independent of the size of the nanoparticle, while the diffusion on α-Al 2 O 3 (0001) decreases rapidly with increasing size. Interestingly, nanoparticles with fewer than 55 atoms diffuse several times faster on α-Al 2 O 3 (0001) than on γ-Al 2 O 3 (100) at 800 K while expected to be more sluggish based on their larger binding energy at 0 K. The diffusion on α-Al 2 O 3 (0001) is facilitated by dynamic metal–support interaction (MSI), where Al atoms move out of the surface plane to optimize contact with the nanoparticle and relax back to the plane as the nanoparticle moves away. In contrast, the MSI on γ-Al 2 O 3 (100) and on γ-Al 2 O 3 (110) is dominated by more stable and directional Cu–O bonds, consistent with the limited diffusion observed on these surfaces. Our extended MD simulations provide insight into the sintering processes, showing that the dispersity of the nanoparticles strongly influences the coalescence driven by nanoparticle diffusion. We observed that the coalescence of Cu 13 nanoparticles on α-Al 2 O 3 (0001) can occur in a short time (10 ns) at 800 K even with an initial internanoparticle distance increased to 3 nm, while the coalescence on the two γ-Al 2 O 3 surfaces are inhibited significantly by increasing the initial internanoparticle distance. These findings demonstrate that the dynamics of the supporting surface is crucial to understanding the sintering mechanism and offer guidance for designing sinter-resistant catalysts by engineering the support morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Efficient screening of rare large pit anomalies on polished surfaces using a minimalist sampling scheme

Lawrence Livermore National Laboratory (LLNL) has made significant strides in generating clean energy through its inertial confinement fusion (ICF) experiments. These experiments rely on high-density carbon (HDC) coated shells to encapsulate the fusion fuel. The success of these experiments is heavily dependent on the surface quality of these shells, as even minor imperfections, such as deep pits, can negatively impact fusion yield. Ensuring the required smoothness involves an extensive surface-finishing process that spans approximately 20 stages, making it both time-intensive and resource-demanding. A critical challenge in this process is the need for high-resolution scans to detect rare deep pits, which can be costly and impractical if performed on every shell. This highlights the necessity of developing more efficient scanning methods to optimize time and cost without compromising accuracy. To address these challenges, we introduce a novel approach that employs the multivariate Dvoretzky–Kiefer–Wolfowitz (DKW) inequality to provide a probabilistic upper bound on the error in estimating pit distribution characteristics via a Kernel Density Estimator (KDE). This error bound enables efficient and reliable estimation of pit distribution characteristics at a specified statistical confidence level using a minimal number of surface scans. The integrated DKW-KDE approach was validated through surface-finishing experiments across two batches of HDC-coated shells, demonstrating consistent and robust performance across multiple stages of the surface-finishing experiments. The validation studies suggest that the integrated DKW-KDE approach achieves comparable accuracy in estimating the risk of deleterious large pits with six scans, thus conserving time and resources. Further evaluations show that performance remains consistent across batches and over multiple polishing stages. In conclusion, based on these findings, one can leverage the minimal-scan insights to strategically improve the bottleneck inspection process, thus enhancing the productivity and quality of shell polishing and similar challenging manufacturing processes.

Inertial confinement fusion↗

DOE OSTI2025

Signatures of Selection for Resistance/Tolerance to Perkinsus olseni in Grooved Carpet Shell Clam ( Ruditapes decussatus ) Using a Population Genomics Approach

ABSTRACT The grooved carpet shell clam ( Ruditapes decussatus ) is a bivalve of high commercial value distributed throughout the European coast. Its production has suffered a decline caused by different factors, especially by the parasite Perkinsus olsenii . Improving production of R . decussatus requires genomic resources to ascertain the genetic factors underlying resistance/tolerance to P. olseni i . In this study, the first reference genome of R . decussatus was assembled through long‐ and short‐read sequencing (1677 contigs; 1.386 Mb) and further scaffolded at chromosome level with Hi‐C (19 superscaffolds; 95.4% of assembly). Repetitive elements were identified (32%) and masked for annotation of 38,276 coding‐ and 13,056 non‐coding genes. This genome was used as a reference to develop a 2bRAD‐Seq 13,438 SNP panel for a genomic screening on six shellfish beds distributed across the Atlantic Ocean and Mediterranean Sea. Beds were selected by perkinsosis prevalence and the infection level was individually evaluated in all the samples. Genetic diversity was significantly higher in the Mediterranean than in the Atlantic region. The main genetic breakage was detected between those regions (F ST = 0.224), being the Mediterranean more heterogeneous than the Atlantic. Several loci under divergent selection (394 outliers; 261 genomic windows) were detected across shellfish beds. Samples were also inspected to detect signals of selection for resistance/tolerance to P. olseni i by using infection‐level and population‐genomics approaches, and 90 common divergent outliers for resistance/tolerance to perkinsosis were identified and used for gene mining. Candidate genes and markers identified provide invaluable information for controlling perkinsosis and for improving production of the grooved carpet shell clam.

Sambade, Inés M. [Department of Zoology, Genetics ↗

NASA NTRS1972

Origin, evolution and present thermal state of the moon

The relative absence of lunar volcanism in the last 3 b.y. and the Apollo 15 heat flow measurement suggest that present-day temperatures in the moon are approximately steady state to depths of 100 km. An exponential distribution of heat sources with depth is scaled by equating the surface heat flow to the integrated heat production of this exterior shell. Presumed present-day interior temperatures and the present-day surface heat flow of 30 ergs/cm2-sec are obtained. The estimated homogeneous concentrations of U, the chemistry of the lunar surface material and inferences to modest depth, and the short accretion time of the moon necessary to provide large-scale differentiation at 4.6 AE suggest that the moon had its origin in the rapid accretion of compounds first condensing from the protoplanetary nebula. The present thermal state of the moon may involve at least some partial melting through all the lunar interior deeper than 200 km. Such a thermal configuration is inconsistent neither with temperatures inferred from electrical conductivity studies nor with the nonhydrostatic shape of the moon.

Hanks, T. C.↗

NASA NTRS1972

Origin, evolution and present thermal state of the moon.

The relative absence of lunar volcanism in the last 3,000,000,000 years and the Apollo 15 heat flow measurement suggest that present-day temperatures in the moon are approximately steady-state to depths of about 100 km. An exponential distribution of heat sources with depth may then be scaled by equating the surface heat flow to the integrated heat production of this exterior shell. Presumed present-day interior temperatures, as well as the present-day surface heat flow of about 30 erg/sq cm-sec, may be obtained with an initial temperature roughly corresponding to the Apollo 11 basalt solidus and exponential scaling of heat sources. The concentrations of U for an originally homogeneous moon are estimated to be about 0.009 micrograms per gram, close to that measured for eucrites and inferred for primitive inclusions of the Allende meteorite. The estimated homogeneous concentrations of U, the chemistry of the lunar surface material and inferences to modest depth, and the short accretion time of the moon necessary to provide large-scale differentiation at 4.6 AE suggest that the moon had its origin in the rapid accretion of compounds first condensing from the protoplanetary nebula.

Hanks, T. C.↗

NASA NTRS1976

Production of Ne Auger electrons by Ne/+/ bombardment of Mg and Al surfaces

A description is given of experiments which provide evidence for the production of an inner shell vacancy in the Ne by the asymmetric Ne-Mg and Ne-Al collision. In addition, autoionization states of neutral Ne have been observed. These states are to be distinguished from the more usual case in Auger electron spectroscopy of de-excitation of an ion with a core vacancy. The experiments involved the bombardment of Mg and Al surfaces with Ne(+) ions. A LEED-Auger system equipped with an ion gun and a four-grid retarding potential analyzer operated in the usual dN(E)/dE mode was used.

Ferrante, J.↗