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DOE OSTI2022

Physics-informed Karhunen-Loeve and Neural Network Approximations for Solving Inverse Differential Equation Problems

Here we present the PI-CKL-NN method for parameter estimation in differential equation (DE) models given sparse measurements of the parameters and states. In the proposed approach, the space- or time-dependent parameters are approximated by Karhunen-Loeve (KL) expansions that are conditioned on the parameters’ measurements, and the states are approximated by deep neural networks (DNNs). The unknown weights in the KL expansions and DNNs are found my minimizing the cost function that enforces the measurements of the states the DE constraint. Regularization is achieved by adding the l2 norm of the conditional KL coefficients into the loss function. Our approach assumes that the parameter fields are correlated in space or time and enforces the statistical knowledge (the mean and the covariance function) in addition to the DE constraints and measurements as opposed to the physics-informed neural network (PINN) and other similar physics-informed machine learning methods where only DE constraints and data are used for parameter estimation. We use the PI-CKL-NN method for parameter estimation in an ordinary differential equation with an unknown time-dependent parameter and the one- and two-dimensional partial differential diffusion equations with unknown space-dependent diffusion coefficients. We also demonstrate that PI-CKL-NN is more accurate than the PINN method, especially when the observations of the parameters are very sparse

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Double echo symmetry-based REDOR and RESPDOR pulse sequences for proton detected measurements of heteronuclear dipolar coupling constants

1 H{X} symmetry-based rotational echo double resonance pulse sequences (S-REDOR) and symmetry-based rotational echo saturation pulse double resonance (S-RESPDOR) solid-state NMR experiments have found widespread application for 1 H detected measurements of difference NMR spectra, dipolar coupling constants, and internuclear distances under conditions of fast magic angle spinning (MAS). In these experiments the supercycled $\text{R4}^2_1 (\text{SR4}^2_1)$ symmetry-based recoupling pulse sequence is typically applied to the 1 H spins to reintroduce heteronuclear dipolar couplings. However, the timing of $\text{SR4}^2_1$ and other symmetry-based pulse sequences must be precisely synchronized with the rotation of the sample, otherwise, the evolution of 1 H CSA and other interactions will not be properly refocused. For this reason, significant distortions are often observed in experimental dipolar dephasing difference curves obtained with S-REDOR or S-RESPDOR pulse sequences. Here we introduce a family of double echo (DE) S-REDOR/S-RESPDOR pulse sequences that function in an analogous manner to the recently introduced $t_1$-noise eliminated (TONE) family of dipolar heteronuclear multiple quantum coherence (D-HMQC) pulse sequences. Through numerical simulations and experiments the DE S-REDOR/S-RESPDOR sequences are shown to provide dephasing difference curves similar to those obtained with S-REDOR/S-RESPDOR. However, the DE sequences are more robust to the deviations of the MAS frequency from the ideal value that occurs during typical solid-state NMR experiments. In this work, the DE sequences are shown to provide more reliable 1 H detected dipolar dephasing difference curves for nuclei such as 15 N (with isotopic labelling), 183 W and 35 Cl. The double echo sequences are therefore recommended to be used in place of conventional S-REDOR/S-RESPDOR sequences for measurement of weak dipolar coupling constants and long-range distances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Enhancing the Quantification of Critical Elements in WTE and Coal Ash via Alkaline Fusion: Superiority of Lithium Metaborate (LiBO 2 )

Ashes generated from coal combustion, as well as waste incineration, can be a potential source of critical elements necessary for the ongoing transition towards electrification and greener energy technologies. For the quantification of critical elements, traditional methods such as acid digestion are time-intensive and can fail to dissolve critical elements in refractory minerals. One potential solution is to adopt alkaline fusion for faster, total digestion. However, the role of flux choice and the subsequent digestion efficiency (DE) is unknown. Here, we report a systematic investigation on the feasibility of alkaline fusion with Lithium Metaborate (LiBO 2 ) and Lithium Tetraborate (Li 2 B 4 O 7 ) as fluxes for the digestion of two standard reference materials (BCR 176R and SRM 1633c). Our findings suggest that LiBO 2 yields higher DE values than Li 2 B 4 O 7 for several critical REEs and volatiles, such as Pb and Cd. Specifically, for REEs in SRM 1633c, the DE values with LiBO 2 are, on average, ~16 percent higher than those with Li 2 B 4 O 7 . Similarly, for Pb and Cd in BCR 176R, the DE values with LiBO 2 are ~20 percent higher than with Li 2 B 4 O 7 . These results suggest that LiBO 2 is a superior flux for rapid ash digestion.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

A multiverse outside of the swampland

A multiverse can arise from landscapes without de Sitter minima. It can be populated during a period of eternal inflation without trans-Planckian field excursions and without flat potentials. This multiverse can explain the values of the cosmological constant and of the weak scale. In the process of proving these statements, we derive a few simple, but counterintuitive results. We show that it is easy to write models of eternal inflation compatible with the distance and refined de Sitter conjectures. Secondly, tunneling transitions that move fields from a lower-energy vacuum to a higher-energy vacuum and generate baby universes are possible, and occur during eternal inflation. Finally, we relax the assumption of no de Sitter minima and show that this more standard multiverse can be populated by Coleman-de Luccia transitions in about 100 e-folds of inflation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Impact of Random Spatial Fluctuation in Non-Uniform Crystalline Phases on the Device Variation of Ferroelectric FET

In this work, a comprehensive study of random spatial fluctuation of the ferroelectric (FE) phase and dielectric (DE) phase in FeFETs is conducted to understand its impact on device variation. It is found that: i) there exists a certain DE percentage threshold that below which the increase of the DE phase does not significantly impact the device memory window and variation and only above which evident device degradation can be observed; ii) increasing the DE phase increases the variation in the memory window and the coercive field distribution further exacerbates the variation, hence degrading the sensing margin; iii) decreasing the number of grains degrades the device variation, which calls for further grain size engineering for variation suppression.

42 ENGINEERING↗

DOE OSTI2026

Two-stage formation-energy correction (NbZr, TaZr, VZr)

This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.

36 MATERIALS SCIENCE↗

DOE OSTI2021

AmeriFlux MX-Aog Alamos Old-Growth tropical dry forest

This is the AmeriFlux version of the carbon flux data for the site MX-Aog Alamos Old-Growth tropical dry forest. Site Description - This tower is located at a patch of remnant old growth tropical dry forest where the dominant vegetation are leguminous trees and a notorious presence of the genus Brusera. The site is at about 18 km from the municipality of Alamos Sonora Mexico within a private ranch managed by the NGO Nature Culture International. The area is also within a federally protected land named “Area de Proteccion de Flora y Fauna Sierra de Alamos Rio-Cuchijaqui" in the catalog of the “Comision Nacional de Areas Naturales Protegidas (CONANP-Mexico)”. The preserved ranch is surrounded by a mosaic of forest patches with different successional stages of tropical dry forest, and some places that are used for local agriculture and livestock. This ecosystem lies in a highly seasonal region under the influence of the North American Monsoon that brings about 70% of the rains from July to September.

Yepez, Enrico A.↗

DOE OSTI2026

Fermilab PIP-II machine protection system digitized data noise elimination scheme and its FPGA implementation

In Fermilab's PIP-II machine protection system, beam loss signals from various detectors are digitized at 125 MS/s. Noise from both high-frequency sources and low-frequency 60 Hz AC power equipment can contaminate the data. To suppress noise across these ranges—especially 60 Hz and its harmonics, which overlap with beam loss signal frequencies—advanced digital processing beyond standard filtering is required. Several real-time functional blocks were simulated and tested on an FPGA: (1) a dual time-constant discharging integrator filter, (2) a de-ripple baseline extraction and storage block, and (3) a fast-recovery discharging integrator. The nonlinear IIR integrator filter removes high-frequency noise and feeds into the baseline extractor. Upon detecting abrupt beam loss, it switches to a longer time constant to prevent baseline distortion. The de-ripple block calculates a valid baseline by averaging over multiple 60 Hz periods, storing results in a 4096-word FPGA RAM. This baseline is subtracted from raw data before integration by the fast-recovery block, which resets quickly after use. All blocks achieved expected performance and were successfully implemented on a low-cost FPGA.

Wu, Jinyuan [Fermilab]↗

DOE OSTI2024

Constraining Neutron Star Structure with Indirect Nuclear Reaction Studies

There were zero expenditures charged against the DE-SC0019042 account after 31 August 2022, i.e., there were no charges during the reporting period. The remaining graduate student that was supported by DE-SC0019042, Nisha Singh, has been supported by another grant, DE-FG02-88ER40387 (PI: Carl R. Brune), since 1 September 2022. She has continued with the same projects that were supported by DE-SC0019042, the determination of the level density in 28 Si via the 27Al(d; n) 28 Si reaction and development of an Si detector array for measuring charged-particle coincidences with neutrons. She continues to make good progress towards her Ph.D.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

High-temperature seals for supercritical carbon-dioxide (sCO 2 ) turbines (Final Report)

This is the final report for project DE-FE0031924 titled “High-temperature seals for supercritical carbon-dioxide (sCO 2 ) turbines.” The report provides a summary of the entire project efforts from October 2020 through December 2024 including the high-temperature commercial dry gas seal (DGS) tests and thermal modeling of Task 2, as well as the high-temperature, large-diameter seal design and high-temperature tests of large-diameter seals in Task 3. A key outcome of Task 2 was the testing completion of specially instrumented commercial DGS in the GE-SwRI Apollo sCO 2 compressor (27,000 rpm). Test data from the DGS showed elevated temperatures upwards of 350 o F, which are close to the higher operating temperature limit of the DGS. The temperature measurements provide insight into the expected thermal loads on DGS operating in high-speed sCO 2 compressor and provided test data for validation of an in-house thermal model of the compressor/seal. Under Task 2.0, this report also presents the development of a steady-state conjugate heat-transfer model of the DGS operating in the sCO 2 compressor – a first of its kind model for modeling heat transfer of sCO 2 in an actual operating compressor. The findings of the thermal model show a reasonable match between temperature predictions of the model and the measured temperature data, also pointing out the validity of the approach and assumptions made in modeling the flows, heat transfer coefficients and windage modeling in the rig. Under Task 3.0, this report presents the preliminary design of a large-diameter hybrid face seal (14 inch and 26-inch diameter) for field testing in a land-based GE turbine. The preliminary seal design effort presented in this report under project DE-FE0031924 builds on the development and successful laboratory testing for such large diameter hybrid face seal under the prior DE-FE0024007 project. Key aspects of seal fluid analyses with CFD, mechanical design considerations and assembly considerations in a land-based turbine are presented. Finally, under Task 3.0, this report also presents the continued high-temperature testing of the 14-inch diameter hybrid face seal developed previously under the DE-FE0024007 program. Specifically, test data demonstrating successful non-contact seal operation and seal effective leakage of 0.001-inch with seal inlet temperatures above 700 o F are presented in this report. Successful hybrid seal operation in a laboratory environment for a large diameter (14-inch) seal at temperatures above 700 o F is a major technological milestone for this technology.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1978

Estimate of procession and polar motion errors from planetary encounter station location solutions

Jet Propulsion Laboratory Deep Space Station (DSS) location solutions based on two JPL planetary ephemerides, DE 84 and DE 96, at eight planetary encounters were used to obtain weighted least squares estimates of precession and polar motion errors. The solution for precession error in right ascension yields a value of 0.3 X 10 to the minus 5 power plus or minus 0.8 X 10 to the minus 6 power deg/year. This maps to a right ascension error of 1.3 X 10 to the minus 5 power plus or minus 0.4 X 10 to the minus 5 power deg at the first Voyager 1979 Jupiter encounter if the current JPL DSS location set is used. Solutions for precession and polar motion using station locations based on DE 84 agree well with the solution using station locations referenced to DE 96. The precession solution removes the apparent drift in station longitude and spin axis distance estimates, while the encounter polar motion solutions consistently decrease the scatter in station spin axis distance estimates.

Pease, G. E.↗

NASA NTRS1951

Effectiveness of Thermal-Pneumatic Airfoil-Ice-Protection System

Icing and drag investigations were conducted in the NACA Lewis icing research tunnel employing a combination thermal-pneumatic de-icer mounted on a 42-inch-chord NACA 0018 airfoil. The de-icer consisted of a 3-inch-wide electrically heated strip symmetrically located about the leading edge with inflatable tubes on the upper and lower airfoil surfaces aft of the heated area. The entire de-icer extended to approximately 25 percent of chord. A maximum power density of 9.25 watts per square inch was required for marginal ice protection on the airfoil leading edge at an air temperature of 00 F and an airspeed of 300 miles per hour. Drag measurements indicated, that without icing, the de-icer installation increased the section drag to approximately 140 percent of that of the bare airfoil; with the tubes inflated, this value increased to a maximum of approximately 620 percent. A 2-minute tube-inflation cycle prevented excessive ice formation on the inflatable area although small scattered residual Ice formations remained after inflation and were removed intermittently during later cycles. Effects of the time lag of heater temperatures after initial application of power and the insulating effect of ice formations on heater temperatures were also determined.

Gowan, William H., Jr.↗

NASA NTRS1988

Stationary auroral current oscillations resulting from the magnetospheric generator

The origin of the steady state spatial current oscillations in the auroral field-aligned currents, which was detected in the measurements by the two Dynamics Explorer (DE) satellites DE 1 and DE 2, is explained in the framework of a simple steady state model of the magnetosphere-ionosphere current system. The model has only three parameters, including the magnetic-field-aligned conductivity, the ionospheric height-integrated Pedersen conductivity, and the conductivity of a generator or dynamo at the magnetospheric equator. Good agreement between this model and the measurements from the DE satellites was obtained.

Weimer, D. R.↗

NASA NTRS1990

Origin and history of chondrite regolith, fragmental and impact-melt breccias from Spain

Six ordinary chondrite breccias from the Museo Nacional de Ciencias Naturales, Madrid (Spain), are described and classified as follows: the solar gas-rich regolith breccia Oviedo (H5); the premetamorphic fragmental breccias Cabezo de Mayo (type 6, L-LL), and Sevilla (LL4); the fragmental breccias Canellas (H4) and Gerona (H5); and the impact melt breccia, Madrid (L6). It is confirmed that chondrites with typical light-dark structures and petrographic properties typical of regolith breccias may (Oviedo) or may not (Canellas) be solar gas-rich. Cabezo de Mayo and Sevilla show convincing evidence that they were assembled prior to peak metamorphism and were equilibrated during subsequent reheating. Compositions of olivine and low-Ca pyroxene in host chondrite and breccia clasts in Cabezo de Mayo are transitional between groups L and LL. It is suggested, based on mineralogic and oxygen isotopic compositions of host and clasts, that the rock formed on the L parent body by mixing, prior to peak metamorphism. This was followed by partial equilibrium of two different materials: the indigenous L chondrite host and exotic LL melt rock clasts.

Casanova, I.↗

NASA NTRS1990

The morphology-density relation for dwarf galaxies

The morphology-density relation is examined for dwarf galaxies with absolute magnitudes -18 less than or equal to M sub B sub T less than or equal to -12.5, based on a deep photographic survey of nearby groups and clusters of galaxies. Results are given. Compared to dwarf ellipticals, dwarf irregulars form a more extended population in nearby clusters, and may in fact be entirely absent from the cluster cores. The spatial distribution of dwarf ellipticals in clusters depends on luminosity and the presence or absence of nucleation. Nucleated dE's and non-nucleated dE's fainter than M sub B sub T approx. -13.5 are concentrated toward the centers of clusters like the giant E and S0 galaxies. In contrast, non-nucleated dE's brighter than M sub B sub T approx. -14.5 are distributed like the spirals and irregulars. The intrinsic shapes of the bright non-nucleated dE's are similar to those of the dwarf irregulars, suggesting a possible evolutionary connection between these two classes of galaxies.

Ferguson, H. C.↗

NASA NTRS1991

The 10 January 1986 disconnection event in Comet Halley

The disconnection event (DE) in the plasma tail of Comet Halley on January 9-12, 1986 is examined. The distances between the comet head and the disconnected tail are measured for a series of images for that time period and then extrapolated to the nucleus to determine the disconnection time: January 9.60 +/- 0.2 days. The approximate solar-wind conditions at the time of the DE were obtained by corotation of IMP-8 satellite data in earth orbit to Comet Halley. At the time of the DE, Comet Halley is inferred to have been close to a magnetic-sector boundary and a high-speed stream-compression region. However, a heliographic latitude separation of 22 degrees (between the comet and IMP-8) and gaps in the IMP-8 data render a more definitive statement about the linkage of the DE to external conditions quite difficult. It is not possible to resolve the effects of magnetic changes associated with the sector boundary and plasma pressure in the compression region.

Niedner, Malcolm B., Jr.↗

NASA NTRS1993

Analysis of magnetometer data/wave signals in the Earth's magnetosphere

Work on the reduction and analysis of Dynamics Explorer (DE) satellite magnetometer data with special emphasis on the ULF fluctuations and waves evident in such data is described. Research focused on the following: (1) studies of Pc 1 wave packets near the plasmapause; (2) satellite-ground pulsation study; (3) support for studies of ion energization processes; (4) search for Pc 1 wave events in 1981 DE 1 data; (5) study of Pc 3-5 events observed simultaneously by DE 1 and by AMPTE CCE; (6) support for studies of electromagnetic transients on DE 1; and (7) analysis of wave events induced by sudden impulses.

Engebretson, Mark J.↗

NASA NTRS1993

Optical media standards for industry

Optical storage is a new and growing area of technology that can serve to meet some of the mass storage needs of the computer industry. Optical storage is characterized by information being stored and retrieved by means of diode lasers. When most people refer to optical storage, they mean rotating disk media, but there are 1 or 2 products that use lasers to read and write to tape. Optical media also usually means removable media. Because of its removability, there is a recognized need for standardization, both of the media and of the recording method. Industry standards can come about in one or more different ways. An industry supported body can sanction and publish a formal standard. A company may ship enough of a product that it so dominates an application or industry that it acquires 'standard' status without an official sanction. Such de facto standards are almost always copied by other companies with varying degrees of success. A governmental body can issue a rule or law that requires conformance to a standard. The standard may have been created by the government, or adopted from among many proposed by industry. These are often known as de jure standards. Standards are either open or proprietary. If approved by a government or sanctioning body, the standard is open. A de facto standard may be either open or proprietary. Optical media is too new to have de facto standards accepted by the marketplace yet. The proliferation of non-compatible media types in the last 5 years of optical market development have convinced many of the need for recognized media standards.

Hallam, Kenneth J.↗