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DOE OSTI2025

Massively parallel and universal approximation of nonlinear functions using diffractive processors

Nonlinear computation is essential for a wide range of information processing tasks, yet implementing nonlinear functions using optical systems remains a challenge due to the weak and power-intensive nature of optical nonlinearities. Overcoming this limitation without relying on nonlinear optical materials could unlock unprecedented opportunities for ultrafast and parallel optical computing systems. Here, we demonstrate that large-scale nonlinear computation can be performed using linear optics through optimized diffractive processors composed of passive phase-only surfaces. In this framework, the input variables of nonlinear functions are encoded into the phase of an optical wavefront—e.g., via a spatial light modulator (SLM)—and transformed by an optimized diffractive structure with spatially varying point-spread functions to yield output intensities that approximate a large set of unique nonlinear functions–all in parallel. We provide proof establishing that this architecture serves as a universal function approximator for an arbitrary set of bandlimited nonlinear functions, also covering wavelength-multiplexed nonlinear functions as well as multi-variate and complex-valued functions that are all-optically cascadable. Our analysis also indicates the successful approximation of typical nonlinear activation functions commonly used in neural networks, including the sigmoid, tanh, ReLU (rectified linear unit), and softplus. We numerically demonstrate the parallel computation of one million distinct nonlinear functions, accurately executed at wavelength-scale spatial density at the output of a diffractive optical processor. Furthermore, we experimentally validated this framework using in situ optical learning and approximated 35 unique nonlinear functions in a single shot using a compact setup consisting of an SLM and an image sensor. These results establish diffractive optical processors as a scalable platform for massively parallel universal nonlinear function approximation, paving the way for new capabilities in analog optical computing based on linear materials.

Rahman, Md Sadman Sakib [University of California,↗

DOE OSTI2022

The impact of freeze-thaw history on soil carbon response to experimental freeze-thaw cycles

This dataset contains data used for the paper "The impact of freeze-thaw history on soil carbon response to experimental freeze-thaw cycles". The Related References field will be updated with a full citation when available.Freeze-thaw is a disturbance process in cold regions where permafrost soils are becoming vulnerable to temperature fluctuations above 0˚C. Freeze-thaw alters soil physical and biogeochemical properties with implications for carbon persistence and emissions in Arctic landscapes. We examined whether different freeze-thaw histories in two soil systems led to contrasting biogeochemical responses under a laboratory-controlled freeze-thaw incubation. We investigated controls on soil organic matter (SOM) composition through Fourier-transform ion cyclotron resonance mass spectroscopy (FT-ICR-MS) to identify nominal carbon oxidation states and relative abundances of aliphatic-type carbon molecules in both surface and subsurface soils. Soil cores (~ 60 cm-depth) were sampled from two sites in Alaskan permafrost landscapes with different in situ freeze-thaw characteristics: Healy (>40 freeze-thaw cycles annually) and Toolik (<150 freeze-thaw cycles annually). FT-ICR-MS was coupled with in situ temperature data and soil properties (i.e., soil texture, mineralogy) to assess (1) differences in SOM composition associated with previous freeze-thaw history and (2) sensitivity to experimental freeze-thaw in the extracted cores. Control (freeze-only) samples showed greater carbon oxidation in Healy soils compared with Toolik, even in lower mineral horizons where freeze-thaw history was comparable across both sites. Healy showed the most loss of carbon compounds following experimental freeze-thaw in the lower mineral depths, including a decrease in aliphatics. Toolik soils responded more slowly to freeze-thaw as shown by intermediary carbon oxidation distributed across multiple carbon compound classes. Variations in the response of permafrost carbon chemistry to freeze-thaw is an important factor for predicting changes in soil function as permafrost thaws in high northern latitudes.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/Erin-Rooney/FTC-FTICR (DOI 10.5281/zenodo.6533064).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Data-Driven Modeling and Control of Systems with Plasma-Surface Interactions (Final Technical Report)

This final technical report summarizes the activities and accomplishments in the period from February 2023 thru January 2026. The objective of the proposed research is to investigate the physical mechanisms and processes underlying the formation of structures and patterns in systems with plasma-surface interactions. In the past decades, there have been extensive studies on the interaction of glow discharges, dielectric barrier discharges, and arc discharges with confining or intervening surfaces. The advancement of the understanding of these phenomena is not only of fundamental scientific interest and relevance to the knowledge of the plasma state, but also with profound implications in various technological applications. The research will integrate theoretical, computational, and experimental work within an innovative framework of data assimilation, i.e., optimally combining model predictions with measurements. The scientific merit of this research has three aspects. Firstly, it extends the studies of plasma-surface interactions to systems with insulator surfaces and multi-layer systems, while existing studies are predominantly on electrode surfaces. Secondly, it expects to develop a novel data-driven modeling approach based on data assimilation to enhance the predictive and control capabilities, which could make transformative contributions to basic plasma research. Thirdly, it will shed new light on outstanding problems related to formation of patterns interfacing plasmas. This project also aims to launch an education and outreach initiative at Texas A&M University-Kingsville, a non-R1, minority-serving institution in South Texas. The initiative is structured as a four-tier pyramid. Tier one will be a webinar series for culture and capacity building to inform broader audience in the region about the research fields of plasma science and engineering. Tier two will be the creation and offering of an upper-level undergraduate course on introductory plasma physics, which will help with the recruitment for the upper tiers. On tier three, we will engage and mentor senior design students to conduct work toward the research goal of this project. There will also be a certificate program on general plasma science for undergrad and graduate students, part of which will be lab training at Princeton University. Tier four will be the supervision and mentoring of Ph.D. students. Therefore, this project will systematically expand the talent pipeline, broaden participation from communities historically and geographically underrepresented in DOE SC research portfolio, significantly improve the research and education capacity at the PI’s institution, and contribute to developing a diverse workforce in plasma science and engineering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1973

Effect of Cristobalite on the Mechanical Properties of Silica RSI Materials

The strength of various silica surface insulation materials was measured after high temperature heat treatment to develop substantial crystalline phases, and after low temperature thermal cycling through the alpha-beta cristobalite transformation. It appears that the presence of cristobalite in the structural elements (the fibers) is highly detrimental to tensile strength. When crystallization does not occur in silica material, the strength improves with heat treatment.

Khandelwal, P. K.↗

NASA NTRS1974

Heat transfer characteristics of an emergent strand

A mathematical model was developed to describe the heat transfer characteristics of a hot strand emerging into a surrounding coolant. A stable strand of constant efflux velocity is analyzed, with a constant (average) heat transfer coefficient on the sides and leading surface of the strand. After developing a suitable governing equation to provide an adequate description of the physical system, the dimensionless governing equation is solved with Laplace transform methods. The solution yields the temperature within the strand as a function of axial distance and time. Generalized results for a wide range of parameters are presented, and the relationship of the results and experimental observations is discussed.

Simon, W. E.↗

NASA NTRS1982

Pre- and post-annealing of mechanical damage in silicon wafers

Basic properties of mechanical damage in silicon consisting of cracks and abrasion were studied using transmission electron microscopy. The crystallographic structure of mechanical damage was determined before and after high temperature annealing. The main findings include that stresses in silicon around crack tips are not plastically relieved at room temperature and that abrasion at room temperature introduces shear loops into the silicon. It was also found that cracks of micron size can be annealed out, specifically, if cleavage occurs on 111 planes. The healing products of such cracks are 60 deg and 90 deg dislocations. Submicron cracks transform into stacking faults during annealing. Likewise high concentrations of shear loops due abrasion were found to anneal into stacking faults. A one to one correlation between surface areas containing small cracks and stacking faults was made. Measurements of damage removal on silicon surfaces through chemical-mechanical etching techniques are presented. It is shown that silicon dioxide repolishes damaged silicon surfaces most effectively.

Schwottke, G. H.↗

NASA NTRS1985

Secondary pattern computation of an arbitrarily shaped main reflector

The secondary pattern of a perfectly conducting offset main reflector being illuminated by a point feed at an arbitrary location is studied. The method of analysis is based upon the application of the Fast Fourier Transform (FFT) to the aperture fields obtained using geometrical optics (GO) and geometrical theory of diffraction (GTD). Key features of the present work are (1) the reflector surface is completely arbitrary, (2) the incident field from the feed is most general with arbitrary polarization and location, and (3) the edge diffraction is calculated by either UAT or by UTD. Comparison of this technique for an offset parabolic reflector with the Jacobi-Bessel and Fourier-Bessel techniques shows good agreement. Near field, far field, and scan data of a large refelctor are presented.

Lee, S. W.↗

NASA NTRS1987

Nitrogen transformations following tropical forest felling and burning on a volcanic soil

Nitrogen transformations and loss were measured following forest clearing in a relatively fertile tropical forest site. Nitrogen mineralization, nitrification, and amounts of ammonium and nitrate increased substantially in surface soils during the 6 mo following burning, then returned to background levels. The nitrogen content of microbial biomass declined to half its original value 6 mo after clearing and remained low in the cleared sites. Plant uptake of nitrogen was substantial on cleared plots (50 g/sq m), but it accounted for only 18 percent of N-15 label added to field plots. MIcrobial immobilization of N-15 was small relative to that in a cleared temperate site, and measurements of denitrification potentials suggested that relatively little mineralized nitrogen was lost to the atmosphere. Substantial amounts of nitrogen (40-70 g/sq m) were retained as exchangeably bound nitrate deep in the soils of a cleared plot on which revegetation was prevented; this process accounted for 12 percent of the N-15 label added to field plots.

Matson, Pamela A.↗

NASA NTRS1992

Symmetry properties in polarimetric remote sensing

This paper presents the relations among polarimetric backscattering coefficients from the viewpoint of symmetry groups. Symmetry of geophysical media encountered in remote sensing due to reflection, rotation, azimuthal, and centrical symmetry groups is considered for both reciprocal and nonreciprocal cases. On the basis of the invariance under symmetry transformations in the linear polarization basis, the scattering coefficients are related by a set of equations which restrict the number of independent parameters in the polarimetric covariance matrix. The properties derived under these transformations are general and apply to all scattering mechanisms in a given symmetrical configuration. The scattering coefficients calculated from theoretical models for layer random media and rough surfaces are shown to obey the derived symmetry relations. Use of symmetry properties in remote sensing of structural and environmental responses of scattering media is discussed. As a practical application, the results from this paper provide new methods for the external calibration of polarimetric radars without the deployment of man-made calibration targets.

Nghiem, S. V.↗

NASA NTRS1995

Spontaneous dewetting of a perfluoropolyether

Eight different production lots of a commercial perfluoropolyether (PFPE) based on hexafluoropropene oxide (HFPO) were applied to polished metal surfaces by spinning. One of the lots repeatedly dewetted from a clean 440C steel surface, forming droplets on the surface, whereas the other seven did not dewet. This dewetting phenomenon also repeatedly occurred on 2024 aluminum and 1018 steel, but not on copper or gold. Fourier transform infrared microspectroscopy (mu-FTIR) was used to determine thickness and uniformity of the PFPE films. The dewetting lot was found to dewet from 440C steel at a film thickness greater than 520 A. A portion of the dewetting lot was heated at 316 C for 12 days in the presence of oxygen and M-50 steel. This fluid did not dewet. Sequentially, samples of the dewetting lot were filtered either with an alumina or a silica cartridge which can remove polar impurities. Neither of the filtered samples dewetted from 440C steel. It was concluded that an unknown impurity, both thermally labile and polar, present at very low concentration and undetected by our analytical techniques (FTIR, proton NMR, or F-19 NMR), was responsible for the dewetting phenomenon.

Shogrin, Bradley↗

NASA NTRS1994

A singularity free approach to post glacial rebound calculations

Calculating the post glacial response of a viscoelastic Earth model using the exponential decay normal mode technique leads to intrinsic singularities if viscosity varies continuously as a function of radius. We develop a numerical implementation of the Complex Real Fourier transform (CRFT) method as an accurate and stable procedure to avoid these singularities. Using CRFT, we investigate the response of a set of Maxwell Earth models to surface loading. We find that the effect of expanding a layered viscosity structure into a continuously varying structure is to destroy the modes associated with the boundary between layers. Horizontal motion is more sensitive than vertical motion to the viscosity structure just below the lithosphere. Horizontal motion is less sensitive to the viscosity of the lower mantle than the vertical motion is. When the viscosity increases at 670 km depth by a factor of about 60, the response of the lower mantle is close to its elastic limit. Any further increase of the viscosity contrast at 670 km depth or further increase of viscosity as a continuous function of depth starting from 670 km depth is unlikely to be resolved.

Fang, Ming↗

NASA NTRS1998

Arctic Sea Ice Motion from Wavelet Analysis of Satellite Data

Wavelet analysis of DMSP SSM/I (Special Sensor Microwave/Imager) 85 GHz and 37 GHz radiance data, SMMR (Scanning Multichannel Microwave Radiometer) 37 GHz, and NSCAT (NASA Scatterometer) 13.9 GHZ data can be used to obtain daily sea ice drift information for both the northern and southern polar regions. The derived maps of sea ice drift provide both improved spatial coverage over the existing array of Arctic Ocean buoys and better temporal resolution over techniques utilizing data from satellite synthetic aperture radars (SAR). Examples of derived ice-drift maps in the Arctic illustrate large-scale circulation reversals within a period of a couple weeks. Comparisons with ice displacements derived from buoys show good quantitative agreement. NASA Scatterometer (NSCAT) 13.9 GHZ data have been also used for wavelet analysis to derive sea-ice drift. First, the 40' incidence-angle, sigma-zero (surface roughness) daily map of whole Arctic region with 25 km of pixel size from satellite's 600 km swath has been constructed. Then, the similar wavelet transform procedure to SSM/I data can be applied. Various scales of wavelet transform and threshold have been tested. By overlaying , neighbor filtering, and block-averaging the results of multiscale wavelet transforms, the final sea ice drift vectors are much smooth and representative to the sea ice motion. This wavelet analysis procedure is robust and can make a major contribution to the understanding of ice motion over large areas at relatively high temporal resolutions. The results of wavelet analysis of SSM/I and NSCAT images and buoy data can be merged by some data fusion techniques and will help to improve our current knowledge of sea ice drift and related processes through the data assimilation of ocean-ice numerical model.

Liu, Antony K.↗

NASA NTRS2011

Green Aerospace Fuels from Nonpetroleum Sources

Efforts to produce green aerospace propellants from nonpetroleum sources are outlined. The paper begins with an overview of feedstock processing and relevant small molecule or C1 chemistry. Gas-to-liquid technologies, notably Fischer-Tropsch (FT) processing of synthesis gas (CO and H2), are being optimized to enhance the fraction of product stream relevant to aviation (and other transportation) fuels at the NASA Glenn Research Center (GRC). Efforts to produce optimized catalysts are described. Given the high cost of space launch, the recycling of human metabolic and plastic wastes to reduce the need to transport consumables to orbit to support the crew of a space station has long been recognized as a high priority. If the much larger costs of transporting consumables to the Moon or beyond are taken into account, the importance of developing waste recycling systems becomes still more imperative. One promising way to transform organic waste products into useful gases is steam reformation; this well-known technology is currently being optimized by a Colorado company for exploration and planetary surface operations. Reduction of terrestrial waste streams while producing energy and/or valuable raw materials is an opportunity being realized by a new generation of visionary entrepreneurs. A technology that has successfully demonstrated production of fuels and related chemicals from waste plastics developed in Northeast Ohio is described. Technologies being developed by a Massachusetts company to remove sulfur impurities are highlighted. Common issues and concerns for nonpetroleum fuel production are emphasized. Energy utilization is a concern for production of fuels whether a terrestrial operation or on the lunar (or Martian) surface; the term green relates to not only mitigating excess carbon release but also to the efficiency of grid-energy usage. For space exploration, energy efficiency can be an essential concern. Other issues of great concern include minimizing impurities in the product stream(s), especially those that potential health risks and/or could degrade operations through catalyst poisoning or equipment damage. The potential impacts on future missions by such concerns are addressed in closing.

Hepp, Aloysius F.↗

NASA NTRS2021

Cities Exacerbate Climate Warming

Urbanization is a complex land transformation, not explicitly resolved within large-scale climate models. Long-term timeseries of high-resolution satellite data are essential to characterize it within land surface models and assess its contribution to surface temperature changes. The potential for additional surface warming from urbanization-induced land use change is investigated and de-coupled from that due to change in climate over the continental US using a decadal timescale. We show that, aggregated over the US, the summer mean urban-induced surface temperature increased by 0.15°C, with a warming of 0.24°C in cities built in vegetated areas and a cooling of 0.25°C in cities built in non-vegetated arid areas. This temperature change is comparable in magnitude to the 0.13°C/decade global warming trend observed over the last 50 years caused by increased CO2. We also show that the effect of urban-induced change on surface temperature is felt above and beyond that of the CO2 effect. Our results suggest that climate mitigation policies must consider urbanization feedback to put a limit on the worldwide mean temperature increase.

Lahouari Bounoua↗

DOE OSTI2024

Improving streamflow predictions across CONUS by integrating advanced machine learning models and diverse data

Accurate streamflow prediction is crucial to understand climate impacts on water resources and develop effective adaption strategies. A global long short-term memory (LSTM) model, using data from multiple basins, can enhance streamflow prediction, yet acquiring detailed basin attributes remains a challenge. To overcome this, we introduce the Geo-vision transformer (ViT)-LSTM model, a novel approach that enriches LSTM predictions by integrating basin attributes derived from remote sensing with a ViT architecture. Applied to 531 basins across the Contiguous United States, our method demonstrated superior prediction accuracy in both temporal and spatiotemporal extrapolation scenarios. Geo-ViT-LSTM marks a significant advancement in land surface modeling, providing a more comprehensive and effective tool for better understanding the environment responses to climate change.

Tayal, Kshitij↗

DOE OSTI2021

Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction–Acetylene-Addition Mechanism: A Theoretical Study

Five-membered rings are constituents of many polycyclic aromatic hydrocarbons (PAHs) and their presence on the edges of large PAHs has been repeatedly observed experimentally. However, modern kinetic combustion models often do not consider the growth of PAHs through the transformation of the five-membered rings. Here, in connection with the above, we carried out a theoretical study of the mechanism of Hydrogen-Abstraction-aCetylene-Addition (HACA) transformation of an embedded five-membered ring on the armchair PAH edge to a six-membered ring, considering cyclopenta[d,e,f]phenanthrene (4,5-methylenephenanthrene) as a prototype system for this process. The potential energy surface for the reactions of cyclopenta[d,e,f]phenanthrenyl radicals produced by direct H abstractions from cyclopenta[d,e,f]phenanthrene with acetylene has been compiled at the G3(MP2,CC)//B3LYP/6-311G(d,p) level of theory including zero-point vibrational energy corrections. The computed energies and molecular parameters were then used to solve the Rice-Ramsperger-Kassel-Marcus Master Equation (RRKM-ME) in order to calculate reaction rate at various pressures and temperatures, which were fitted to modified Arrhenius equation for further kinetic modeling. The results show that the HACA transformation of the embedded five-membered ring to a six-membered ring is possible, albeit slow. The most viable reaction mechanism involves the R2 + C 2 H 2 reaction, where the acetylene molecules adds to a σ-radical in the six-membered ring adjacent to the five-membered ring via a low entrance barrier. The predominant product of R2 + C 2 H 2 is predicted to be 3 ethynyl 4H cyclopenta[def]phenanthrene Pr5 via immediate H elimination from the initial addition complex. Next, Pr5 undergoes H-assisted isomerization to 4aH-pentaleno[4,3,2,1-cdef]phenanthrene Pr4, and the latter adds an H atom eventually forming the 1-pyrenylmethyl radical Pr3: R2 + C 2 H 2 ⇌ 3 ethynyl 4H cyclopenta[def]phenanthrene (Pr5) + H ⇌ 4aH-pentaleno[4,3,2,1-cdef]phenanthrene (Pr4) + H Pr5 + H ⇌ Pr4 + H Pr4 + H → 1-pyrenylmethyl (Pr3) This HACA sequence may be competitive with the methyl radical addition to the R1 radical formed by H abstraction from the CH 2 group in the five-membered ring of cyclopenta[d,e,f]phenanthrene, which provides a pathway to pyrene following two H atom losses. Relative contributions of the two mechanisms of the five- to six-membered ring transformation would strongly depend on the branching ratios of the R1 and R2 radicals produced by the H abstractions and the available concentration of C 2 H 2 vs. CH 3 and hence differ in different flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

Use of a Multiwavelength Pyrometer in Several Elevated Temperature Aerospace Applications

A multiwavelength pyrometer was developed for applications unique to aerospace environments. It was shown to be a useful and versatile technique for measuring temperature, even when the emissivity is unknown. It has also been used to measure the surface temperatures of ceramic zircomia thermal barrier coatings and alumina. The close agreement between pyrometer and thin film thermocouple temperatures provided an independent check. Other applications of the multiwavelength pyrometer are simultaneous surface and bulk temperature measurements of a transparent material, and combustion gas temperature measurement using a special probe interfaced to the multiwavelength pyrometer via an optical fiber. The multiwavelength pyrometer determined temperature by transforming the radiation spectrum in a broad wavelength region to produce a straight line (in a certain spectral region), whose intercept in the vertical axis gives the temperature. Implicit in a two-color pyrometer is the assumption of wavelength independent emissivity. Though the two data points of a two-color pyrometer similarly processed would result immediately in a similar straight line to give the unknown temperature, the two-color pyrometer lacks the greater data redundancy of the multiwavelength pyrometer, which enables it to do so with improved accuracy. It also confirms that emissivity is indeed wavelength independent, as evidenced by a multitude of the data lying on a simple straight line. The multiwavelength pyrometer was also used to study the optical transmission properties of a nanostructured material from which a quadratic exponential functional frequency dependence of its spectral transmission was determined. Finally, by operating the multiwavelength pyrometer in a very wide field of view mode, the surface temperature distribution of a large hot surface was obtained through measurement of just a single radiation spectrum.

Ng, Daniel↗

NASA NTRS1986

Viscous compressible flow direct and inverse computation and illustrations

An algorithm for laminar and turbulent viscous compressible two dimensional flows is presented. For the application of precise boundary conditions over an arbitrary body surface, a body-fitted coordinate system is used in the physical plane. A thin-layer approximation of tne Navier-Stokes equations is introduced to keep the viscous terms relatively simple. The flow field computation is performed in the transformed plane. A factorized, implicit scheme is used to facilitate the computation. Sample calculations, for Couette flow, developing pipe flow, an isolated airflow, two dimensional compressor cascade flow, and segmental compressor blade design are presented. To a certain extent, the effective use of the direct solver depends on the user's skill in setting up the gridwork, the time step size and the choice of the artificial viscosity. The design feature of the algorithm, an iterative scheme to correct geometry for a specified surface pressure distribution, works well for subsonic flows. A more elaborate correction scheme is required in treating transonic flows where local shock waves may be involved.

Yang, T. T.↗