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DOE OSTI2021

Parton distributions and lattice-QCD calculations: Toward 3D structure

The strong force which binds hadrons is described by the theory of quantum chromodynamics (QCD). Determining the character and manifestations of QCD is one of the most important and challenging outstanding issues necessary for a comprehensive understanding of the structure of hadrons. Within the context of the QCD parton picture, the parton distribution functions (PDFs) have been remarkably successful in describing a wide variety of processes. However, these PDFs have generally been confined to the description of collinear partons within the hadron. New experiments and facilities provide the opportunity to additionally explore the transverse structure of hadrons which is described by generalized parton distributions (GPDs) and transverse-momentum-dependent parton distribution functions (TMD PDFs). In our previous report Lin et al. (2018), we compared and contrasted the two main approaches used to determine the collinear PDFs: the first based on perturbative QCD factorization theorems, and the second based on lattice-QCD calculations. In the present report, we provide an update of recent progress on the collinear PDFs, and also expand the scope to encompass the generalized PDFs (GPDs and TMD PDFs). We review the current state of the various calculations, and consider what new data might be available in the near future. We also examine how a shared effort can foster dialog between the PDF and lattice-QCD communities, and yield improvements for these generalized PDFs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Spatially Resolved Recombination Analysis of CuIn $_\text{x}$ Ga $_\text{1-x}$ Se $_{2}$ Absorbers With Alkali Postdeposition Treatments

In this contribution, we probe spatial variations in charge-carrier recombination in CuIn x Ga 1-x Se 2 (CIGS) absorbers grown on soda-lime glass (SLG) and alkali-free sapphire substrates with NaF and KF postdeposition treatments (PDTs). Temperature-and illumination-dependent device measurements are used to track interface recombination and recombination in the quasi-neutral region. The analysis of these data reveals that the benefit of alkali PDTs depends on the substrate: interface recombination is reduced in devices grown on sapphire substrates, whereas recombination in the quasi-neutral regions is reduced in devices grown on SLG substrates. Cathodoluminescence (CL) spectrum imaging is used to study the spatial distribution of recombination with respect to the grain structure. The grain-boundary CL contrast is similar in films with no PDT, NaF PDT, or KF PDT. A reduced grain-boundary contrast is observed with a NaF + KF PDT; however, suggesting a reduced recombination strength at the grain boundaries (GBs) for combined NaF + KF treatment. CL spectra indicate band tailing, consistent with the fluctuating potential model. Fluctuating potentials are believed to reduce open-circuit voltage, but their spatial distribution has not been studied. Here, CL spectrum imaging data are used to generate maps of the root-mean-square value of the potential energy fluctuations-γ. These maps reveal a bimodal ..gamma.. distribution for all samples: ..gamma.. is generally in the range ~15-50 meV or ~100-180 meV. The higher ..gamma.. range is more significantly affected by the PDTs; after the PDTs, it is strongly correlated with GBs. The lower ..gamma.. range is correlated with higher emission intensity regions, typically grain interiors, and increases in area fraction after the PDTs. These results demonstrate how spatially resolved luminescence and device characterization measurements can be used to monitor changes in recombination in CIGS films and photovoltaic devices. Such measurements can complement empirical device optimization and help improve device performance.

14 SOLAR ENERGY↗

DOE OSTI2018

Studying the $P_c(4450)$ Resonance in $J/\psi $ Photoproduction Off Protons

Here, the LHCb has reported the observation of a resonancelike structure, the $P_c(4450)$, in the $J/\psi $ p invariant masses. In our work, we discuss the feasibility of detecting this structure in $J/\psi $ photoproduction, e.g. in the measurements that have been approved for the experiments in Hall A/C and in Hall B with CLAS12 at JLab. Also the GlueX Collaboration has already reported preliminary results. We take into account the experimental resolution effects, and perform a global fit to world J/psi photoproduction data in order to study the possibility of observing the $P_c(4450)$ signal in future JLab data. We present a first estimate of the upper limit for the branching ratio of the $P_c(4450)$ into the $J/\psi $ p channel, and we study the angular distributions of the differential cross sections. This will shed light on the nature and couplings of the $P_c(4450)$ structure in the future photoproduction experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1987

Balmer profiles in the geocorona and interstellar space. I - Asymmetries due to fine structure

While the Doppler profiles of Balmer-alpha and -beta are in principle analyzable in order to derive orbital data concerning both escaping and satellite geocoronal particles, interpretations are in practice hampered by a lack of understanding of profile properties apart from such geocoronal features as an asymmetry, caused by the absence of escape velocity-exceeding, downward-directed particles. Attention is accordingly given to the profiles of H atoms which, while emitting radiation from a complete Maxwellian distribution, also exhibit an H-alpha fine structure-generated asymmetry which is a predictable function of the excitation mechanism.

Chamberlain, Joseph W.↗

NASA NTRS2006

Efficient and Robust Data Collection Using Compact Micro Hardware, Distributed Bus Architectures and Optimizing Software

Future In-Space propulsion systems for exploration programs will invariably require data collection from a large number of sensors. Consider the sensors needed for monitoring several vehicle systems states of health, including the collection of structural health data, over a large area. This would include the fuel tanks, habitat structure, and science containment of systems required for Lunar, Mars, or deep space exploration. Such a system would consist of several hundred or even thousands of sensors. Conventional avionics system design will require these sensors to be connected to a few Remote Health Units (RHU), which are connected to robust, micro flight computers through a serial bus. This results in a large mass of cabling and unacceptable weight. This paper first gives a survey of several techniques that may reduce the cabling mass for sensors. These techniques can be categorized into four classes: power line communication, serial sensor buses, compound serial buses, and wireless network. The power line communication approach uses the power line to carry both power and data, so that the conventional data lines can be eliminated. The serial sensor bus approach reduces most of the cabling by connecting all the sensors with a single (or redundant) serial bus. Many standard buses for industrial control and sensor buses can support several hundreds of nodes, however, have not been space qualified. Conventional avionics serial buses such as the Mil-Std-1553B bus and IEEE 1394a are space qualified but can support only a limited number of nodes. The third approach is to combine avionics buses to increase their addressability. The reliability, EMI/EMC, and flight qualification issues of wireless networks have to be addressed. Several wireless networks such as the IEEE 802.11 and Ultra Wide Band are surveyed in this paper. The placement of sensors can also affect cable mass. Excessive sensors increase the number of cables unnecessarily. Insufficient number of sensors may not provide adequate coverage of the system. This paper also discusses an optimal technique to place and validate sensors.

micro hardware↗

NASA NTRS1983

An experimental study of changes in the structure of a turbulent boundary layer due to surface geometry changes

This investigation attempts to observe changes in the flow structure of a nominally zero pressure gradient turbulent boundary layer by altering the surface of a smooth plate with small triangular riblets oriented in the direction of flow and protruding just above the viscous sublayer. Hot-wire measurements show a reduction in the local skin friction over the riblet valleys by about 40% compared to the smooth surface near the end of the plate. Local skin friction increases by about 10% over the riblet peaks. Results showing the effects of the riblets on the mean, root-mean-square and skewness factor distributions of the streamwise velocity are presented. The mean profile displays characteristics similar to those of drag reducing additives; the streamwise turbulence intensity is reduced by approximately 10-15% near the surface by the riblets; the skewness factor distribution is virtually unchanged. A comparison of results from an application of the VITA 'burst' detection technique to smooth and riblet surface data is also presented although the results are rather inconclusive. Flow visualization of 'bursting' over both surfaces, while dramatically revealing the structure, reveals little difference resulting from the presence of the riblet.

Source record↗

NASA NTRS2019

Effects of Topography on Tropical Forest Structure Depend on Climate Context

Topography affects abiotic conditions which can influence the structure, function, and dynamics of ecological communities. An increasing number of studies have demonstrated biological consequences of fine-scale topographic heterogeneity but we have a limited understanding of how We merged high-resolution (1 sq. meter) data on topography and canopy height derived from airborne lidar with ground-based data from 15 forest plots in Puerto Rico distributed along a precipitation gradient spanning ca. 800 to 3,500 mm yr(exp -1). Ground-based data included species composition, estimated above-ground biomass (AGB), and two key functional traits (wood density and leaf mass per area, LMA) that reflect resource-use strategies and a trade-off between hydraulic safety and hydraulic efficiency. We used hierarchical Bayesian models to evaluate how the interaction between topography climate is related to metrics of forest structure (i.e., canopy height and AGB), as well as taxonomic and functional alpha- and beta-diversity. Fine-scale topography (characterized with the topographic wetness index, TWI) significantly affected forest structure and the strength (and in some cases direction) of these effects varied across the precipitation gradient. In all plots, canopy height increased with topographic wetness but the effect was much stronger in dry compared to wet forest plots. In dry forest plots, topographically wetter microsites also had higher levels of AGB but in wet forest plots, topographically drier microsites had higher AGB. Fine-scale topography influenced functional composition but had only weak or non-significant effects on taxonomic and functional alpha- and beta-diversity. For instance, community-weighted wood density followed a similar pattern to AGB across plots. We also found a marginally significant association between variation of wood density and topographic heterogeneity that depended on climate context. Synthesis: The effects of fine-scale topographic heterogeneity on tropical forest structure and composition depend on the climate context. Our study demonstrates how a stronger integration of topographic heterogeneity across precipitation gradients could improve estimates of forest structure and biomass, and may provide insight to the ways that topography might mediate species responses to drought and climate change.

Tropical dry forest↗

DOE OSTI2025

LandScan mosaic enables high-resolution gridded population estimates with explicit uncertainty

Gridded population datasets represent high-resolution distributions of human occupancy, enabling informed decision-making across a broad range of fields. These data products are valuable for assessing environmental risk, urban development, disaster preparedness and resource allocation—areas where accurate population estimates directly enhance policy effectiveness and optimize resource distribution. Despite the importance of gridded population datasets, traditional population modeling approaches often overlook inherent uncertainties in the estimation process. This limitation can create a false sense of certainty in population estimates, potentially leading to flawed decisions by those who rely on the data. To address this methodological gap, we introduce a probabilistic machine learning modeling framework, LandScan Mosaic, that explicitly incorporates uncertainty into the population modeling process. Our approach systematically quantifies uncertainty in three key modeling parameters of the LandScan HD gridded population dataset: building use types, floor counts, and occupancy rates. By employing Monte Carlo simulations, we propagate these uncertainties through the modeling process, yielding probability distributions of population counts in place of deterministic point estimates. We demonstrate the practical application of this framework in Iloilo City, Philippines, using structured decision-making techniques and our probabilistic estimates to identify and prioritize areas most affected by projected flooding, supporting targeted interventions that address both economic and social risks. In doing so, we propose a population-specific approach for incorporating confidence into structured decision making processes. Through a comparative analysis with conventional deterministic approaches and point estimate approaches, including LandScan HD and WorldPop, we evaluate how the incorporation of machine learning and uncertainty influences decision rankings. This research advances population distribution modeling by offering a robust, quantitative approach that explicitly accounts for uncertainty in the underlying data, along with guidance for how users can apply uncertainty in their decision-making.

Environmental sciences↗

DOE OSTI2019

Clustering of nonvalently bonded NO{sub 2}…O{sub 2}N fragments at C(sp{sup 3}) atoms

Based on the 'invariom' approach and the 'Atoms in Molecules' theory, a simplified method is proposed to reveal and analyze bonding interatomic interactions using large arrays of structural data. The technique was tested taking nonvalent interactions between nitro groups bonded to C(sp{sup 3}) atoms as examples. Geometric clustering of structural fragments was performed and the interaction strength and covalent contribution distributions were analyzed. Relationships between the fragment clustering results and nonvalent bonding pattern features are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Five kHz thermometry in turbulent spray flames using chirped-probe-pulse femtosecond CARS, part II: Structure of reaction zones

Temperature was measured in turbulent spray flames of ethanol and acetone stabilized on the piloted Sydney Needle Spray Burner (SYNSBURN TM ) using single-laser-shot, chirped-probe-pulse femtosecond coherent anti-Stokes Raman spectroscopy (CPP-fs-CARS) with a repetition rate of 5 kHz. The burner features air-blast atomization of liquid injected from a needle that can be translated by a length Lr within a co-flowing air stream so that piloted spray flames ranging from dilute to dense can be studied. Part I of these investigations has reported on the CPP-fs-CARS technique and extensive details of data processing methodology. Part II is concerned with the structure of the reaction zones at different spray loadings and for different departures from blow-off. While not performed simultaneously, measurements of the size distribution of liquid fragments are also reported and discussed in conjunction with the measured temperature. Measured probability density functions of temperature show that for flames with the same liquid loading but different recess lengths, Lr, the near-field spray structure that forms upstream of x/D = 10 affects flame structure and stability further downstream. As the spray exiting the burner becomes denser, with a higher proportion of ligaments and ‘irregular’ shaped objects, the entrainment of hot pilot gases into the spray envelope is affected, hence changing the rates of vaporization and subsequent combustion. The reported results will also form a useful platform for validating sub-models of atomization and combustion in turbulent, dilute to dense spray flames.

42 ENGINEERING↗

DOE OSTI2020

Probing the Atomic-Scale Structure of Amorphous Aluminum Oxide Grown by Atomic Layer Deposition

Atomic layer deposition (ALD) is a well-established technique for depositing nanoscale coatings with pristine control of film thickness and composition. The trimethylaluminum (TMA) and water (H 2 O) ALD chemistry is inarguably the most widely used and yet to date, we have little information about the atomic-scale structure of the amorphous aluminum oxide (AlO x ) formed by this chemistry. This lack of understanding hinders our ability to establish process-structure-property relationships and ultimately limits technological advancements employing AlOx made via ALD. In this work, we employ synchrotron high-energy X-ray diffraction (HE-XRD) coupled with pair distribution function (PDF) analysis to characterize the atomic structure of amorphous AlO x ALD coatings. We combine ex situ and in operando HE-XRD measurements on ALD AlO x and fit these experimental data using stochastic structural modeling to reveal variations in the Al-O bond length, Al and O coordination environment, and extent of Al vacancies as a function of growth conditions. In particular, the local atomic structure of ALD AlO x is found to change with the substrate and number of ALD cycles. The observed trends are consistent with the formation of bulk Al 2 O 3 surrounded by an O-rich surface layer. We deconvolute these data to reveal atomic-scale structural information for both the bulk and surface phases. Overall, this work demonstrates the usefulness of HE-XRD and PDF analysis in improving our understanding of the structure of amorphous ALD thin films and provides a pathway to evaluate how process changes impact the structure and properties of ALD films.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Systematic Validation of Ensemble Cloud-Process Simulations using Polarimetric Radar Observations and Simulator over the NASA Wallops Flight Facility

The BiLateral Operational Storm-Scale Observation and Modeling (BLOSSOM) project was initiated to establish a long-term supersite to improve understanding of cloud physical states and processes as well as to support satellite and climate model programs over the WFF site via a bilateral approach of storm-scale observations and process modeling. This study highlights a noble systematic validation framework of the BLOSSOM ensemble cloud-process simulations through mixed-phase, light-rain, and deep-convective precipitation cases. The framework consists of creating a domain-shifted ensemble of large-scale forcing datasets, and configuring and performing cloud-process simulations with three different bulk microphysics schemes. Validation uses NASA S-band dual-POLarimetric radar (NPOL) observations in the form of statistical composites and skill scores via a polarimetric radar simulator and newly developed CfRad Data tool (CfRAD). While the simulations capture the overall structures of the reflectivity composites, polarimetric signals are still poorly simulated, mainly due to a lack of representation of ice microphysics diversity in shapes, orientation distributions, and their complex mixtures. Despite the limitation, this new ensemble-based validation framework demonstrates that 1) no particular forcing or microphysics scheme outperforms the rest and 2) the skill scores of coarse- and fine-resolution ensemble simulations with different domain-shifted forcing and microphysics schemes are highly correlated with each other with no clear improvement. On the other hand, this suggests that coarse-resolution ensemble simulations are relevant for selecting the best meteorological forcing and microphysics scheme before conducting computationally demanding large eddy simulations (LESs) in support of aircraft and satellite instrument development as well as cloud-precipitation-convection parameterizations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Structural evolution in Au- and Pd-based metallic glass forming liquids and the case for improved molecular dynamics force fields

The results of a combined experimental and computational investigation of the structural evolution of Au 81 Si 19 , Pd 82 Si 18 , and Pd 77 Cu 6 Si 17 metallic glass forming liquids are presented. Electrostatically levitated metallic liquids are prepared, and synchrotron x-ray scattering studies are combined with embedded atom method molecular dynamics simulations to probe the distribution of relevant structural units. Metal–metalloid based metallic glass forming systems are an extremely important class of materials with varied glass forming ability and mechanical processibility. High quality experimental x-ray scattering data are in poor agreement with the data from the molecular dynamics simulations, demonstrating the need for improved interatomic potentials. The first peak in the x-ray static structure factor in Pd 77 Cu 6 Si 17 displays evidence for a Curie–Weiss type behavior but also a peak in the effective Curie temperature. In conclusion, a proposed order parameter distinguishing glass forming ability, 1/(S(T,q 1 )−1, shows a peak in the effective Curie temperature near a crossover temperature established by the behavior of the viscosity, T A .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Magnetic correlations and structure in bixbyite across the spin-glass transition

Magnetic frustration in atomically ordered crystals gives rise to a broad range of quantum phenomena. The mineral bixbyite, F e 2 - x M n x O 3 , has magnetic frustration induced by atomic disorder. The end-members M n 2 O 3 and β - F e 2 O 3 both have magnetically ordered ground states, but the bixbyite crystal studied here, with a composition F e 1.12 M n 0.88 O 3 , instead undergoes a spin-glass-like transition near 32 K. Here, the magnetic correlations and atomic structure of bixbyite are followed across the spin-glass transition using powder and single-crystal neutron scattering. Refinement of Bragg intensities from neutron diffraction data allows precise determination of the average Fe and Mn concentration on the different crystallographic sites of the structure. No structural transitions occur in bixbyite upon cooling. Using the three-dimensional magnetic difference pair distribution function (3D-mΔPDF), the magnetic correlations are resolved spatially and their temperature dependence determined. The results demonstrate that the spin-spin correlations are strong well above the glass transition temperature, consistent with the spin-glass nature of the magnetism in bixbyite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Development of High-Temperature Bonding Techniques to Enable High-Temperature Static or Dynamic Strain Measurements

Current light-water nuclear reactors rely on a variety of different sensors and sensor applications to meet their structural health monitoring needs throughout the entirety of the reactor primary, secondary, and containment systems. Optical fiber–based sensor technologies could provide solutions to reduce the sensor system footprint while enhancing the measurement fidelity and spatial resolution by leveraging distributed monitoring techniques. Moreover, advanced reactors may require optical fiber–based sensors for structural health monitoring because their operating temperatures will exceed the limits of conventional transducers used to acquire dynamic strain or acoustic data in nuclear power plants. Therefore, this report describes experiments targeting the development of high-temperature bonding techniques that would allow for potentially long lengths of fibers to be bonded to metallic reactor components in advanced reactor systems. The high temperatures experienced within target application, next-generation nuclear reactors, necessitate a high-temperature resistant bond to limit the amount of tension on the fiber at the target application temperature. The primary bonding method investigated in this work is brazing; hot-rolling has also been investigated to a lesser extent. Both techniques are well-suited to bonding optical fibers to large reactor components such as primary coolant piping, pressure vessels, or heat exchangers. Optical frequency domain reflectometry was used to monitor the strain in metal-coated optical fibers before, during, and after the high-temperature bonding process. On select optical fibers that were successfully bonded, additional thermal cycling was performed to assess the extent to which the fiber remained bonded based on the expected thermal expansion of the test specimen material. The results of the various experiments yielded the following general conclusions: (1) brazing is a viable technique for bonding and allows significant compressive strain to be applied to the fiber at room temperature; (2) hot-rolling is a viable technique as well, which has been more optimized than the brazing technique for bonding, but less residual compressive strain has been observed with this technique; and (3) both techniques will need further development and optimization to demonstrate bonding of a long length of fiber that can provably operate at relevant temperatures for an advanced nuclear reactor application.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1974

Rough surface scattering based on facet model

A model for the radar return from bare ground was developed to calculate the radar cross section of bare ground and the effect of the frequency averaging on the reduction of the variance of the return. It is shown that, by assuming that the distribution of the slope to be Gaussian and that the distribution of the length of the facet to be in the form of the positive side of a Gaussian distribution, the results are in good agreement with experimental data collected by an 8- to 18-GHz radar spectrometer system. It is also shown that information on the exact correlation length of the small structure on the ground is not necessary; an effective correlation length may be calculated based on the facet model and the wavelength of the incident wave.

Khamsi, H. R.↗

NASA NTRS1984

Heat transfer and oil flow studies on a single-stage-to-orbit control-configured winged entry vehicle

Results are presented for oil flow and phase change paint heat transfer tests conducted on a 0.006 scale model of a proposed single stage to orbit control configured vehicle. The data were taken at angles of attack up to 40 deg at a free stream Mach number of 10 for Reynolds numbers based on model length of 0.5 x 10 to the 6th power, 1.0 x 10 to the 6th power and 2.0 x 10 to the 6th power. The magnitude and distribution of heating are characterized in terms of angle of attack and Reynolds number aided by an analysis of the flow data which are used to suggest the presence of various three dimensional flow structures that produce the observed heating patterns. Of particular interest are streak heating patterns that result in high localized heat transfer rates on the wing windward surface at low to moderate angles of attack. These streaks are caused by the bow-shock/wing-shock interaction and formation of the wing-shock. Embedded vorticity was found to be associated with these interactions.

Helms, V. T., III↗

NASA NTRS1987

Integrating nonlinear aerodynamic and structural analysis for a complete fighter configuration

The coupling of a nonlinear aerodynamics program with a structural analysis program to include the effects of static aeroelasticity in early preliminary design studies is described. A nonlinear, full potential aerodynamics method with capability to model geometric details of a complete aircraft in supersonic flow is used. The deflections of the lifting surfaces are calculated using an equivalent plate structural representation which can readily accommodate the changes in stiffness and geometric properties required during the preliminary design process. An iterative solution procedure is used to obtain consistent aerodynamic loads and structural deflections at the specified flight conditions. The volume of data transmitted between programs is minimized. The procedure is applied to a complete aircraft and the numerical results illustrate the aeroelastic effects on pressure distribution as well as total forces and moments. During this design study, the thickness distribution of the wing cover skins was initially sized based on rigid loads and subsequently resized under aeroelastic loads. Comparisons are made between these nonlinear aeroelastic results and results obtained from linear aerodynamic methods applied to a rigid shape during conceptual design studies.

Tatum, Kenneth E.↗