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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Sequence Design of Random Heteropolymers as Protein Mimics

Random heteropolymers (RHPs) have been computationally designed and experimentally shown to recapitulate protein-like phase behavior and function. However, unlike proteins, RHP sequences are only statistically defined and cannot be sequenced. Recent developments in reversible-deactivation radical polymerization allowed simulated polymer sequences based on the well-established Mayo–Lewis equation to more accurately reflect ground-truth sequences that are experimentally synthesized. This led to opportunities to perform bioinformatics-inspired analysis on simulated sequences to guide the design, synthesis, and interpretation of RHPs. We compared batches on the order of 10000 simulated RHP sequences that vary by synthetically controllable and measurable RHP characteristics such as chemical heterogeneity and average degree of polymerization. Our analysis spans across 3 levels: segments along a single chain, sequences within a batch, and batch-averaged statistics. We discuss simulator fidelity and highlight the importance of robust segment definition. Examples are presented that demonstrate the use of simulated sequence analysis for in-silico iterative design to mimic protein hydrophobic/hydrophilic segment distributions in RHPs and compare RHP and protein sequence segments to explain experimental results of RHPs that mimic protein function. To facilitate the community use of this workflow, the simulator and analysis modules have been made available through an open source toolkit, the RHPapp.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Skyrme-Hartree-Fock-Bogoliubov mass models on a 3D mesh: III. From atomic nuclei to neutron stars

Here, we present BSkG3, the latest entry in the Brussels-Skyrme-on-a-grid series of large-scale models of nuclear structure based on an energy density functional. Compared to its predecessors, the new model offers a more realistic description of nucleonic matter at the extreme densities relevant to neutron stars. This achievement is made possible by incorporating a constraint on the infinite nuclear matter properties at high densities in the parameter adjustment, ensuring in this way that the predictions of BSkG3 for the nuclear Equation of State are compatible with the observational evidence for heavy pulsars with M > 2M ⊙ . Instead of the usual phenomenological pairing terms, we also employ a more microscopically founded treatment of nucleon pairing, resulting in extrapolations to high densities that are in line with the predictions of advanced many-body methods and are hence more suited to the study of superfluidity in neutron stars. By adopting an extended form of the Skyrme functional, we are able to reconcile the description of matter at high densities and at saturation density: the new model further refines the description of atomic nuclei offered by its predecessors. A qualitative improvement is our inclusion of ground state reflection asymmetry, in addition to the spontaneous breaking of rotational, axial, and time-reversal symmetry. Quantitatively, the model offers lowered root-mean-square deviations on 2457 masses (0.631 MeV), 810 charge radii (0.0237 fm) and an unmatched accuracy with respect to 45 primary fission barriers of actinide nuclei (0.33 MeV). Reconciling the complexity of neutron stars with those of atomic nuclei establishes BSkG3 as a tool of choice for applications to nuclear structure, the nuclear equation of state and nuclear astrophysics in general.

Physics↗
DOE OSTI2020

Validation of the Mach Stem Triple Point

Among the more complex characteristics of an explosion’s shock front is the creation of the Mach stem and its triple point. The scientific footage of the US Atmospheric Nuclear Weapons Testing Program has a film that may show the locus of points formed by the triple point, allowing us to visually investigate the trajectory of these shockwaves. During a nuclear blast, once the X-ray diffusion process ends, an incident shockwave forms in all directions. When the incident shockwave contacts the ground, a reflected shockwave is created. The overall magnitude and impact of these two shockwaves are proportional to the increasing total pressure and temperature, allowing the disturbances to move faster than the local speed of sound.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Albedo Measurement of the Terra Pave White Albedo Product: Cooperative Research and Development Final Report

The Terra Pave team is creating an eco-friendly, cost-effective road coating that controls dust and dirt on high-traffic roads near solar field installations to reduce the dirt cover on panels, which lowers energy output. The Terra Pave White Albedo product also has the capability to increase the amount of solar radiation reflected from the ground to the backside of bifacial PV modules, thereby increasing the amount of electricity generated. This work will quantify the amount of solar radiation reflected from the Terra Pave White albedo product by measuring its albedo, which is the ratio of the reflected radiation to the incoming radiation. Albedo is measured with two horizontal pyranometers with one ground-facing and the other sky-facing.

14 SOLAR ENERGY↗
DOE OSTI2020

Spectral Effects in Albedo and Rearside Irradiance Measurment for Bifacial Performance Estimation: Preprint

Albedo data are essential for accurate prediction of bifacial PV module performance. However, spectral response mismatch between PV modules and irradiance sensors used in albedometers can limit the accuracy of performance predictions. In order to provide quantitative assessment of this effect, we investigate via simulation the differences in spectrally responsive albedo measured with thermopile pyranometers and crystallinesilicon PV reference cells in comparison to a representative crystalline-silicon bifacial PV module for nine different representative ground surface materials. Calculations are performed using simulated solar spectra together with catalogued spectral reflectivity data distributed with the SMARTS simulation software. For the specific materials considered, the results show that albedo measurement using thermopile pyranometers could over or under-estimate the ground-reflected radiation usable by a bifacial PV module by up to 10%, versus only approximately 4% total range of variation for a PV reference cell.

Albedo↗
DOE OSTI2025

Analyzing LF/VLF Lightning Waveforms to Estimate D-region Electron Density Profiles

Lightning waveforms in the low frequency (LF; 30-300 kHz) and the very low frequency (VLF; 3-30 kHz) bands can be exploited to produce data-driven ionospheric D-region electron density profile (EDP) estimates with significantly higher spatial and temporal coverage than previously available. The lightning waveforms used in this paper are signals detected in the LF/VLF of negative cloud-to-ground lightning by the Earth Networks Total Lightning Detection Network. Each waveform contains a ground wave and a time-delayed ionospheric reflection. The time delay between the ground wave and ionospheric reflection has previously been used to estimate a single specular reflection altitude, where LF/VLF emissions are reflected by the ionosphere. Here, we expand upon previous methods to include filtering and spectral analysis, and account for oblique propagation to produce higher-order estimates for reflection altitudes and corresponding electron densities. Once estimated, reflection altitudes and corresponding electron densities can be used to derive parameters β and h’, which define an EDP for the D-region. In this study, the lightning waveform (LW) analysis is demonstrated using a single representative 24-hour dataset over the Southeast United States, and then extended to a total of 10 separate datasets with varying locations and ionospheric conditions. The LW-derived D-region EDPs are in agreement with predictions made by the Faraday International Reference Ionosphere model, and the LW EDPs β and h’ values are consistent with previous LF/VLF-derived estimates.

D-region ionosphere↗
DOE OSTI2021

Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states

Diffusion Monte Carlo (DMC) calculations have been performed to study the adsorption of a single Pt atom on pristine graphene. In this work, we obtain the adsorption energy curves of a single Pt atom adsorbed at three different adsorption sites (bridge, on-top, hollow) as functions of the vertical distance from a graphene surface for both spin singlet and triplet states. The bridge-site adsorption in a singlet spin state is found to be energetically most stable, which is consistent with previous theoretical predictions. As the Pt atom moves away from a graphene surface, spin triplet states are favored over spin singlet states for all three adsorption sites, reflecting that the ground state of an isolated Pt atom is in a spin triplet state. Furthermore, our DMC calculations reveal local-minimum features in the triplet region which is understood to be due to van der Waals interaction between the Pt atom and graphene. This provides a comprehensive understanding for a spin crossing from a physisorbed triplet state to a chemisorbed singlet state in the adsorption process of a single Pt atom on graphene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High energy yield bifacial spectrum-splitting photovoltaic system

In this paper a photovoltaic system is proposed that achieves high energy yield by integrating bifacial silicon cells into a spectrum-splitting module. Spectrum splitting is accomplished using volume holographic optical elements to spectrally divide sunlight onto an array of photovoltaic cells with different bandgap energies. Light that is reflected from the ground surface onto the rear side of the module is converted by the bifacial silicon cells. The energy yield of the system is optimized by tuning the volume holographic element parameters, such as film thickness, index modulation, and construction point source positions. An example is presented for utility-scale illumination parameters in Tucson, Arizona, that attains an energy yield of 1010 k w ⋅ <#comment/> h r y r ⋅ <#comment/> m 2 , which is 32.8% of the incident solar insolation.

Chrysler, Benjamin D. (ORCID:0000000186250147)↗
DOE OSTI2020

Capturing the full benefits of bifacial modules to approach an LCOE of 3c/kWh through a regional optimization of the electrical architecture (Final Technical Report)

This is the final technical report for the Cypress Creek Renewables project focused on bifacial plant performance. The project consisted of building a heavily instrumented Bifacial test sites with several cell technologies; instrumenting >1 MW scale commercial sites with both monofacial and bifacial arrays in order to understand real-world differences; and to engage with the performance modeling and financial stakeholder community to improve accuracy and increase investor confidence. The data from the test and commercial sites has been used to validate and improve the accuracy of both physics-based and reduced order modeling software. The heavily instrumented nature has been used to understand how light contributions from the sky and reflected from the ground impact different portions of the module and array while the data from the commercial sites has directly impacted how independent engineers model production from bifacial systems. The latter point has led to an increase in over 2% compared to earlier predictions. Even this modest increase has had significant downward pressure on project LCOE. As the data and results are both public, this refined modeling and empirical evidence for a higher bifacial gain than modeled, the benefits to the broader US solar community are assured.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Calibrating radar wind profiler reflectivity factor using surface disdrometer observations

Abstract. This study uses surface disdrometer reflectivity factor estimates to calibrate the vertical and off-vertical pointing radar beams produced by an ultra high frequency (UHF) band radar wind profiler (RWP) deployed at the US Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) Central Facility in northern Oklahoma from April 2011 through July 2019. The methodology consists of five steps. First, the recorded Doppler velocity power spectra are adjusted to account for Nyquist velocity aliasing and coherent integration filtering effects. Second, the spectrum moments are calculated. The third step increases the signal-to-noise ratio (SNR) due to inflated noise power estimates during convective rain events that cause SNR to be biased low. The fourth step determines the RWP calibration constant for one radar beam (called the “reference” beam) by comparing uncalibrated RWP reflectivity factors at 500 m above the ground to 1 min resolution surface disdrometer reflectivity factors. The last step uses the calibrated reference beam reflectivity factor to calibrate the other radar beams during precipitation. There are two key findings. The RWP sensitivity decreased by approximately 3 to 4 dB yr−1 as the hardware aged. This drift was slow enough that the reference calibration constant can be estimated over 3-month intervals using episodic rain events. The calibrated moments are available on the DOE ARM data archive, and the Python processing code is available on public repositories.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Anomalous Landau Level Gaps Near Magnetic Transitions in Monolayer WSe 2

First-order phase transitions produce abrupt changes to the character of both ground and excited electronic states. Here we conduct electronic compressibility measurements to map the spin phase diagram and Landau level (LL) energies of monolayer WSe 2 in a magnetic field. We resolve a sequence of first-order phase transitions between completely spin-polarized LLs and states with LLs of both spins. Unexpectedly, the LL gaps are roughly constant over a wide range of magnetic fields below the transitions, which we show reflects spin-polarized ground states with opposite spin excitations. These transitions also extend into compressible regimes, with a sawtooth boundary between full and partial spin polarization. We link these observations to the important influence of LL filling on the exchange energy beyond a smooth density-dependent contribution. Our results show that WSe 2 realizes a unique hierarchy of energy scales where such effects induce reentrant magnetic phase transitions tuned by density and magnetic field. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Fragmentation dynamics of CS 2 dications and trications following S 2p ionization

Here, we present the results from a detailed study of the fragmentation dynamics of CS$_2^{2+}$ and CS$_2^{3+}$, formed in intense femtosecond soft x-ray pulses above the sulfur 2p edge, primarily through single core photoionization from the S 2p site, and subsequent Auger–Meitner decay(s). By combining three-dimensional velocity map imaging with covariance analysis, we determine the relative momenta of the ions produced in each two- and three-body fragmentation channel, at significantly higher ion count rates than conventional coincidence measurements. We shed new light on the wide range of fragmentation channels observed from the CS 2 dication and trication, including channels that involve ionization-induced bond formation and fragmentations producing undetected neutral cofragments. In the latter case, a “native frames” approach is used to isolate contributions from concerted and sequential fragmentations and extract dynamical information about each step of a concerted fragmentation process. While dications often fragment sequentially, the trication is dominated by concerted fragmentation. The main trication fragmentation channel into S + + C + + S + can be well-approximated by classical Coulombic simulations of the ground-state geometry distribution, reflecting both the nature of the trication potential energy surface and the rapid multiple ionization prior to substantial structural dynamics. This study demonstrates ways in which fundamental insights into the fragmentation dynamics of polycations following x-ray ionization may be extracted, which will be beneficial to future studies that employ time-resolved x-ray Coulomb explosion imaging to study ultrafast photochemistry.

Allum, Felix [Deutsches Elektronen-Synchrotron (DE↗
DOE OSTI2025

Comparing Outdoor to Indoor Performance for Bifacial Modules Affected by Polarization-Type Potential-Induced Degradation

Bifacial photovoltaic (PV) modules have the advantage of using light reflected off of the ground to contribute to power production. Predicting the energy gain is challenging and requires complex models to do so accurately. Often, module degradation over time is neglected in models for the sake of simplicity or is underestimated. Comparing outdoor and indoor current–voltage (I–V) performance for bifacial modules is more challenging than for monofacial modules, as there are additional variables to consider such as rear albedo non-uniformity, cell mismatch, and their effects on temperature. This challenge is compounded when heterogeneous degradation modes occur, such as polarization-type potential-induced degradation (PID-p). To examine the effects of PID-p on I–V predictions using an empirical data-driven approach, 16 bifacial PERC modules are installed outdoors on racks with different albedo conditions. A subset is exposed to high-voltage biases of −1500 V or +1500 V. Outdoor data are traced at irradiance ranges of 150–250 W/m 2 , 500–600 W/m 2 , and 900–1000 W/m 2 . These curves are corrected using control module temperature, wire resistivity, and module resistance measured indoors. We examine several methods to transform indoor I–V curves to accurately, and more simply than existing methods, approximate outdoor performance for bifacial modules without and with varying levels of PID-p degradation. This way, bifacial performance modeling can be more accessible and informed by fielded, degraded modules. Distributions of percent errors between indoor and outdoor performance parameters and Mean Absolute Percent Errors (MAPEs) are used to assess method quality. Results including low-irradiance data (150–250 W/m 2 ) are discussed but are filtered for quantifying method quality as these data introduce substantial errors. The method with the most optimal tradeoff between low MAPE and analysis simplicity involves measuring the front side of a module indoors at an irradiance equal to plane-of-array irradiance plus the product of module bifaciality and albedo irradiance. This method gives MAPE values of 1–6.5% for non-degraded and 1.6–5.9% for PID-p degraded module performance.

14 SOLAR ENERGY↗
DOE OSTI2021

Mn-induced spin glass behavior in metallic Ir 3 Sn 7-x Mn x

Transition metal stannides are usually semiconductors with a narrow band gap. We report experimental investigation on metallic Ir 3 Sn 7– x Mn x ( x = 0 and 0.56). Single crystal x-ray diffraction refinement indicates that Ir 3 Sn 7– x Mn x crystals form a cubic structure (space group Im 3 - m ) with the lattice parameter a = 9.362(4) Å for x = 0 and 9.328(6) Å for x = 0.56. The electrical resistivity shows metallic behavior between 2 K and 300 K with T 2 dependence at T < 30 K for x = 0, reflecting the Fermi-liquid ground state. While Ir 3 Sn 7 exhibits weak diamagnetism, partial substitution of Sn by Mn results in spin glass behavior in Ir 3 Sn 7- x Mn x below T g ~ 13 K for x = 0.56. Remarkably, an upturn in the resistivity is observed in x = 0.56 below ~2 T g , suggesting strong spin fluctuation. This fluctuation is suppressed by the application of magnetic field, which is reflected in the observation of negative magnetoresistance. The unusual properties that emerge due to Mn doping are discussed.

Physics↗
DOE OSTI2020

Global anomaly matching in the higher-dimensional $\mathbb{CP}^{N–1}$ model

Here, we investigate 't Hooft anomalies in the $\mathbb{CP}^{N–1}$ model in space-time dimensions higher than two and identify two types of anomalies: one is a mixed anomaly between the PSU ( N ) flavor-rotation and magnetic symmetries and the other is between the reflection and magnetic symmetries. The latter indicates that even in the absence of the flavor symmetry, the model cannot have a unique gapped ground state as long as the reflection and magnetic symmetries are respected. We also clarified the condition for the 't Hooft anomalies to survive under monopole deformations, which explicitly break the magnetic symmetry down to its discrete subgroup. Besides, we explicitly show how the identified 't Hooft anomalies match in the low-energy effective description of symmetry broken phases—the Néel, U(1) spin liquid, and the valence bond solid phases. An application to the finite-temperature phase diagram of the four-dimensional $\mathbb{CP}^{N–1}$ model is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The influence of irregular terrain on infrasonic propagation in the troposphere

The relations describing the reflection of three-dimensional acoustic ray paths impinging on a non-flat surface are derived and used to approximate the propagation of infrasonic signals over irregular terrain in the geometric limit. The influence of non-flat ground is strongest for those paths that reflect off the surface multiple times, such as those in the tropospheric waveguide; however, notable differences in source and receiver elevations for stratospheric and thermospheric paths can produce notable differences in travel times and arrival amplitudes. The interaction of ray paths with topographical features is investigated using a simple hill to demonstrate the impact of topography on propagation within an azimuthal plane, as well as cases in which the ground surface interaction deflects the path out of the azimuthal plane. Finally, broadband waveform predictions are compared with observations for an event in the western U.S., and a statistical analysis of scattering losses due to interaction with topography in the limit of geometric acoustics is used to improve the agreement between predicted and observed infrasonic signals.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Rear-Side Irradiance Simulation of Field PV Modules

Assessing the durability of photovoltaic (PV) module backsheet is critical to increasing module lifetime. Historically, laboratory-based accelerated testing has insufficient in predicting large-scale failures of commercial polymeric materials. Additionally, there is growing concern that standard condition tests do not reflect non-uniformities in field exposure, and that certain modules experience more severe degradation due to their location. Anisotropy in field exposures is installation-dependent and reflects different levels of exposure to irradiance due to mounting geometry, ground surface albedo, and climatic zone. "Bificial_Radiance" [1], simulates the amount of reflected irradiance on the Polyethylene Naphthalate (PEN) backsheet of a PV array located in Maryland. In our work, site specific weather data are gathered for the entire length of exposure for the modules. The total full-spectrum dose for the incident irradiance on the backsheet was then determined. The simulation results are integrated with historical field survey data to better understand real orld outdoor degradation.

backsheet↗
DOE OSTI2023

Rear-Side Irradiance Simulation of Field PV Modules: Preprint

Assessing the durability of photovoltaic (PV) module backsheet is critical to increasing module lifetime. Historically, laboratory-based accelerated testing has insufficient in predicting large-scale failures of commercial polymeric materials. Additionally, there is growing concern that standard condition tests do not reflect non-uniformities in field exposure, and that certain modules experience more severe degradation due to their location. Anisotropy in field exposures is installation dependent and reflects different levels of exposure to irradiance due to mounting geometry, ground surface albedo, and climatic zone. "Bificial Radiance" [1], simulates the amount of reflected irradiance on the Polyethylene Naphthalate (PEN) backsheet of a PV array located in Maryland. In our work, site specific weather data are gathered for the entire length of exposure for the modules. The total full-spectrum dose for the incident irradiance on the backsheet was then determined. The simulation results are integrated with historical field survey data to better understand realworld outdoor degradation.

backsheet↗