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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Random heteropolymers as enzyme mimics

Despite successes in replicating the primary–secondary–tertiary structure hierarchy of protein, it remains elusive to synthetically materialize protein functions that are deeply rooted in their chemical, structural and dynamic heterogeneities. We propose that for polymers with backbone chemistries different from that of proteins, programming spatial and temporal projections of sidechains at the segmental level can be effective in replicating protein behaviours; and leveraging the rotational freedom of polymer can mitigate deficiencies in monomeric sequence specificity and achieve behaviour uniformity at the ensemble level. Here, guided by the active site analysis of about 1,300 metalloproteins, we design random heteropolymers (RHPs) as enzyme mimics based on one-pot synthesis. We introduce key monomers as the equivalents of the functional residues of protein and statistically modulate the chemical characteristics of key monomer-containing segments, such as segmental hydrophobicity. The resultant RHPs form pseudo-active sites that provide key monomers with protein-like microenvironments, co-localize substrates with catalytic or cofactor-binding sidechains and catalyse reactions such as oxidation and cyclization of citronellal with isopulegol/menthoglycol selectivity. This RHP design led to enzyme-like materials that can retain catalytic activity under non-biological conditions, are compatible with scalable processing and have expanded substrate scope, including environmentally long-lasting antibiotic tetracycline.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Grand Canyon Ecological Forecasting: Using NASA Earth Observations to Monitor and Model Juniper Woodland Mortality in Grand Canyon National Park

Significant die-offs of the drought tolerant species Utah juniper (Juniperus osteosperma) and one-seeded juniper (Juniperus monosperma) have been observed throughout central and northern Arizona, including Grand Canyon National Park (GCNP). As climate models project rising temperatures and continuous drought, land managers are concerned for the future of juniper in and around GCNP. This project incorporated data from Landsat 8 Operational Land Imager (OLI), the Shuttle Radar Topography Mission (SRTM), and ocular samples of the National Agriculture Imagery Program (NAIP) in a random forest model to identify patterns between characteristics of the landscape and locations of juniper woodland mortality and to model areas subject to vulnerability. This study found no significant correlation between ocularly sampled juniper tree mortality and remotely sensed environmental variables used thus, accurately modeling mortality vulnerability in the future was not feasible. The ocular sampling, however, allows the partners at the GCNP’s Science & Resource Management Division to better understand areas of juniper tree woodland mortality and the relative amount of mortality in the park. Additionally, the areas of juniper tree mortality found in this project provide the partners with guidance for future field sampling.

Scarlet Jackson↗
DOE OSTI2021

Noise reduction in X-ray photon correlation spectroscopy with convolutional neural networks encoder–decoder models

Abstract Like other experimental techniques, X-ray photon correlation spectroscopy is subject to various kinds of noise. Random and correlated fluctuations and heterogeneities can be present in a two-time correlation function and obscure the information about the intrinsic dynamics of a sample. Simultaneously addressing the disparate origins of noise in the experimental data is challenging. We propose a computational approach for improving the signal-to-noise ratio in two-time correlation functions that is based on convolutional neural network encoder–decoder (CNN-ED) models. Such models extract features from an image via convolutional layers, project them to a low dimensional space and then reconstruct a clean image from this reduced representation via transposed convolutional layers. Not only are ED models a general tool for random noise removal, but their application to low signal-to-noise data can enhance the data’s quantitative usage since they are able to learn the functional form of the signal. We demonstrate that the CNN-ED models trained on real-world experimental data help to effectively extract equilibrium dynamics’ parameters from two-time correlation functions, containing statistical noise and dynamic heterogeneities. Strategies for optimizing the models’ performance and their applicability limits are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine learning modeling and model predictive control of a closed-circuit reverse osmosis system

Closed-circuit reverse osmosis (CCRO) offers a flexible and energy-efficient alternative to conventional reverse osmosis by operating in a semi-batch mode that recycles brine, enabling higher recovery rates and reduced specific energy consumption (SEC). However, developing accurate, system-level dynamic models for CCRO remains challenging due to its nonlinear, multi-phase operation and sensitivity to variable feed water conditions. Traditional modeling approaches, such as NARMAX (nonlinear autoregressive moving average with exogenous inputs), often struggle to generalize across varying inlet feed concentrations, necessitating frequent parameter re-estimation and limiting their utility for real-time control applications. To address these limitations, we developed a long short-term memory (LSTM) neural network model trained on an extensive experimental data set from a CCRO pilot plant. The model accepts three inputs, feed flow rate, recirculation flow rate, and initial feed conductivity, and predicts three key outputs: reject conductivity, feed pump power draw, and recirculation pump power draw. We validated the LSTM model against experimental data, demonstrating its ability to distinguish between different feed conductivities and adapt to variable flow rates. Subsequently, we incorporated the LSTM model within a nonlinear model predictive control (MPC) scheme and conducted closed-loop simulations to optimize the integrated SEC (iSEC). In conclusion, the results project up to a 6% reduction in iSEC by using MPC to optimize performance over the entire experiment duration, without requiring any random excitation for data collection or parameter re-estimation.

Desalination↗
DOE OSTI2021

Projected Changes to Cool‐Season Storm Tides in the 21st Century Along the Northeastern United States Coast

Abstract This study investigates changes and uncertainties to cool‐season (November‐March) storm tides along the U.S. northeast coast in the 21st century under the high RCP8.5 emission scenario compared to late 20th century. A high‐fidelity (50‐m coastal resolution) hydrodynamic storm tide model is forced with three dynamically downscaled regional climate models (RCMs) over three decadal periods (historical, mid‐21st century, and late‐21st century) to project future changes in peak storm tide elevations at coastal counties in the region. While there is no absolute consensus on future changes to storm tides, for any one future decade two out of the three RCMs project an increase at counties along the Hudson River, Delaware River, and northern Chesapeake Bay due to more intense cyclones that track inland of these locations leading to favorable surge generating conditions. The same RCMs also project a decrease at counties facing the open ocean in the mid‐Atlantic Bight as cyclone densities just offshore of the coastline decrease, particularly by late‐century. The greater tidal range in northern areas of the region leads to uncertainty in the magnitude and sign of the projected changes to storm tide levels due to the arbitrary timing of the local tidal stage and the surge‐producing weather event. This random tide‐weather timing is less important in the Chesapeake Bay and unimportant in Albemarle Sound and Pamlico Sound. Similar to other recent studies, we highlight that sea level rise is likely to be more critical than storm climatology for future changes to the cool‐season coastal flooding potential.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Improving Fission Products at CARIBU: Near Field Detection (Q1/FY21 Quarterly Progress Report)

After receiving funds at the beginning of FY21 we were able to resume work on the project. We continued data analysis of 156 Eu decay. The project has also gone through an Independent Review in November. Following the previously reported steps in the analysis of 156 Eu, specifically removing random coincidences from the gamma ray spectrum, we look not only at the peak of interest (811 keV) but all other gamma rays that are visible. Determining the area of all gamma ray peaks in this random coincidence free spectrum is not only necessary to calculate the gamma ray branching ratios but combined with the peak areas of the gamma ray singles spectrum we are able to determine experimentally the efficiency of the beta detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2002

Large Coded Aperture Mask for Spaceflight Hard X-ray Images

The 2.6 square meter coded aperture mask is a vital part of the Burst Alert Telescope on the Swift mission. A random, but known pattern of more than 50,000 lead tiles, each 5 mm square, was bonded to a large honeycomb panel which projects a shadow on the detector array during a gamma ray burst. A two-year development process was necessary to explore ideas, apply techniques, and finalize procedures to meet the strict requirements for the coded aperture mask. Challenges included finding a honeycomb substrate with minimal gamma ray attenuation, selecting an adhesive with adequate bond strength to hold the tiles in place but soft enough to allow the tiles to expand and contract without distorting the panel under large temperature gradients, and eliminating excess adhesive from all untiled areas. The largest challenge was to find an efficient way to bond the > 50,000 lead tiles to the panel with positional tolerances measured in microns. In order to generate the desired bondline, adhesive was applied and allowed to cure to each tile. The pre-cured tiles were located in a tool to maintain positional accuracy, wet adhesive was applied to the panel, and it was lowered to the tile surface with synchronized actuators. Using this procedure, the entire tile pattern was transferred to the large honeycomb panel in a single bond. The pressure for the bond was achieved by enclosing the entire system in a vacuum bag. Thermal vacuum and acoustic tests validated this approach. This paper discusses the methods, materials, and techniques used to fabricate this very large and unique coded aperture mask for the Swift mission.

Vigneau, Danielle N.↗
NASA NTRS2022

Vibration mitigation using an inerter-based isolation system

Extreme dynamic environments can result in the failure of structures and equipment. To mitigate these effects, isolation systems can be used. In recent years, inerters have been studied as a part of different structural control methods. The inerter is attractive for many structural control methods because it can produce large mass effects despite having a small physical mass through the transformation of translational motion to the rotational motion of a flywheel. While inerters have been considered in structural control, experimental studies of isolation systems featuring inerters has been limited. This project seeks to study the ability of the addition of an inerter to improve the dynamic performance of isolation systems when considering a random vibration environment. The results of this study demonstrate that the inerter can have a large impact on the dynamic properties of an isolated system, including shifting the isolation mode frequency lower while reducing its amplitude. High frequency noise did result from the inclusion of the inerter but may not be of significant concern depending on the frequency range of interest. The strong performance of the inerter in a simplified isolation system observed during this work motivates future studies of inerters in isolation systems.

S.S. Abolghasemi↗
NASA NTRS1995

NASA/DOD Aerospace Knowledge Diffusion Research Project. Report 35: The use of computer networks in aerospace engineering

This research used survey research to explore and describe the use of computer networks by aerospace engineers. The study population included 2000 randomly selected U.S. aerospace engineers and scientists who subscribed to Aerospace Engineering. A total of 950 usable questionnaires were received by the cutoff date of July 1994. Study results contribute to existing knowledge about both computer network use and the nature of engineering work and communication. We found that 74 percent of mail survey respondents personally used computer networks. Electronic mail, file transfer, and remote login were the most widely used applications. Networks were used less often than face-to-face interactions in performing work tasks, but about equally with reading and telephone conversations, and more often than mail or fax. Network use was associated with a range of technical, organizational, and personal factors: lack of compatibility across systems, cost, inadequate access and training, and unwillingness to embrace new technologies and modes of work appear to discourage network use. The greatest positive impacts from networking appear to be increases in the amount of accurate and timely information available, better exchange of ideas across organizational boundaries, and enhanced work flexibility, efficiency, and quality. Involvement with classified or proprietary data and type of organizational structure did not distinguish network users from nonusers. The findings can be used by people involved in the design and implementation of networks in engineering communities to inform the development of more effective networking systems, services, and policies.

Bishop, Ann P.↗
NASA NTRS2018

Assessing the Completeness of Occupational Exposure Data in the Lifetime Surveillance of Astronaut Health

INTRODUCTION: Longitudinal analysis on how spaceflight affects human health requires significant amounts of data. Missing data, especially if missing in a non-random fashion, could be a significant challenge to the success and validity of ongoing occupational surveillance and research. Astronaut occupational health data have been collected since 1959 in various formats and as part of several flight programs. As a result of changing methodologies over this span, epidemiologists in the NASA Lifetime Surveillance of Astronaut Health (LSAH) project regularly compile data sets with important exposure or outcome data missing. METHODS: NASA medical records of astronauts participating in voluntary annual LSAH examinations were reviewed and compiled to develop Individual Exposure Profiles (IEP) for each astronaut. These data were supplemented by an interview. If the interview yielded medically relevant information absent from the medical record, that information was considered an update. The IEPs were analyzed to identify trends regarding the characteristics of astronauts who provided updates and what kinds of information were consistently being updated. RESULTS: To date, 190 astronauts have participated in the IEP project. Medical information was updated for 119 individuals during these interviews. The astronauts' likelihood of updating their record upon interview was not significantly related to their spaceflight experience, era of active spaceflight, or duration of longest spaceflight. The most commonly updated categories of medical information were issues encountered during spaceflights, including CO2 symptoms, vision changes, back pain, headaches, and space motion sickness. DISCUSSION: The most commonly updated categories correspond to areas where LSAH has ongoing analysis efforts and therefore do not appear to have been reported at random. This presentation will address identification of missing astronaut health data and trends, forward work identified by the IEP project and how this information may be used for future LSAH data gap analyses.

Sieker, Jeremy↗
DOE OSTI2026

Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra: Modeling Archive

This dataset is a model archive of the paper Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra (in prep) to support a modeling study investigating how projected increases in Arctic temperature and precipitation will jointly influence hydrologic conditions in ice-rich tundra landscapes. With this dataset, this study is to address the research question: Will Arctic tundra landscapes become wetter or drier with increasing precipitation and temperature in the future when thaw-induced ground subsidence and associated microtopographic evolution are represented? The simulations focus on ice-wedge polygon tundra, a widespread form of ice-rich permafrost terrain that is highly sensitive to thaw-driven landscape change. This dataset contains model input and output data for four study watersheds in Alaska: Anaktuvuk, Utqiagvik (formerly Barrow), Brooks Foothills, and Prudhoe Bay. Simulations were performed using the Advanced Terrestrial Simulator (ATS, v1.5), a physics-rich integrated surface–subsurface hydrologic model. For each watershed, ten modeling cases were performed representing two landscape evolution conditions (with subsidence and without subsidence) combined with five climate forcing scenarios derived from Shared Socioeconomic Pathways (SSP5, SSP5 with precipitation trend, SSP2, SSP2 with precipitation trend, and SSP2 with double precipitation trend). Particularly, for each watershed under the forcing SSP2 with precipitation trend, there are two additional simulations considering spatially heterogeneous subsidence distributions: one assumes randomly distributed scaling and the other includes elevation dependent distribution scaling. These simulations span 1980–2099 and include spin-up runs (1980–2009) followed by transient projections (2010–2099). To facilitate reproducibility of simulations, all datasets are organized by watershed. For each study watershed, the dataset contains: (1) Pre-partitioned mesh files for 32-core modeling (.par.32.XX), located in EACH_WATERSHED/mesh/basin; and also a non-partitioned mesh file (.exo) located in EACH_WATERSHED/mesh; (2) Climate forcings corresponding to the five SSP scenarios (.h5), located in EACH_WATERSHED/data; (3) Final states (.h5) from column spin-up modeling used to initialize historical watershed-scale spin-up runs from 1980 to 2009, located in EACH_WATERSHED/PreSpinupHistorical; (4) Final states (.h5) of historical watershed-scale spin-up runs from 1980 to 2009 used to initialize projection runs, located in EACH_WATERSHED/Spinup_daymetERA5; (5) ATS modeling input files (.xml), located in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/inputfiles; (6) ATS modeling output files (.dat), located in in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/combined_obs; (7) For the Brooks Foothills watershed, additional spatial model outputs are provided (.h5) for selected years (2033 and 2093) used to generate spatial figures in this study, located in Brooksfoothills/EACH_SIMULATION_SCENARIO/results-WITH/WITHOUT_SUBSIDENCE-year2033/2093. All data files with suffix .h5 can be accessible through Python h5py, and all data files with suffix of .dat can be imported by Python pandas. Mesh file with .exo can be visualized through Paraview or read by Python netCDF. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

EARTH SCIENCE > ATMOSPHERE > PRECIPITATION↗
DOE OSTI2020

Eulerian thermo-mechanical simulations of heterogeneous solid propellants using an approximate projection method

We present a mathematical model that describes thermo-mechanical deformations and thermal gradients on the unsteady burning of a heterogeneous solid propellant. A scaling study shows that the deformations in solid at combustion timescales can be treated as quasi-static. The resulting thermo-mechanical formulation is formulated on a Cartesian grid and makes use of a weak form of Chorin-type projection method to deal with large difference in shear modulus of constituent materials. Further, a one-dimensional verification study is carried out by comparing numerical simulations with those of an analytical model. In addition, convergence studies for a two-dimensional propellant sandwich configuration are presented for the stress, velocity, and reference map components. Finally, simulations are carried out for a two-dimensional random propellant pack and the time-averaged burn rate and strains are reported.

42 ENGINEERING↗
NASA NTRS2000

Update on the NASA GRC Stirling Technology Development Project

The Department of Energy, NASA Glenn Research Center (GRC), and Stirling Technology Company (STC) are developing a free-piston Stirling convertor for a Stirling radioisotope power system (SRPS) to provide spacecraft on-board electric power for NASA deep space missions. The SRPS has recently been identified for potential use on the Europa Orbiter and Solar Probe Space Science missions. Stirling is also now being considered for unmanned Mars rovers. NASA GRC is conducting an in-house project to assist in developing the Stirling convertor for readiness for space qualification and mission implementation. As part of this continuing effort, the Stirling convertor will be further characterized under launch environment random vibration testing, methods to reduce convertor electromagnetic interference (EMI) will be developed, and an independent performance verification will be completed. Convertor life assessment and permanent magnet aging characterization tasks are also underway. Substitute organic materials for the linear alternator and piston bearing coatings for use in a high radiation environment have been identified and have now been incorporated in Stirling convertors built by STC for GRC. Electromagnetic and thermal finite element analyses for the alternator are also being conducted. This paper discusses the recent results and status for this NASA GRC in-house project.

Thieme, Lanny G.↗
DOE OSTI2024

Constraining Galaxy-Halo connection using machine learning

We investigate the potential of machine learning (ML) methods to model small-scale galaxy clustering for constraining Halo Occupation Distribution (HOD) parameters. Our analysis reveals that while many ML algorithms report good statistical fits, they often yield likelihood contours that are significantly biased in both mean values and variances relative to the true model parameters. This highlights the importance of careful data processing and algorithm selection in ML applications for galaxy clustering, as even seemingly robust methods can lead to biased results if not applied correctly. ML tools offer a promising approach to exploring the HOD parameter space with significantly reduced computational costs compared to traditional brute-force methods if their robustness is established. Using our ANN-based pipeline, we successfully recreate some standard results from recent literature. Properly restricting the HOD parameter space, transforming the training data, and carefully selecting ML algorithms are essential for achieving unbiased and robust predictions. Among the methods tested, artificial neural networks (ANNs) outperform random forests (RF) and ridge regression in predicting clustering statistics, when the HOD prior space is appropriately restricted. We demonstrate these findings using the projected two-point correlation function (w p (r p )), angular multipoles of the correlation function (ξ ℓ (r)), and the void probability function (VPF) of Luminous Red Galaxies from Dark Energy Spectroscopic Instrument mocks. Our results show that while combining w p (r p ) and VPF improves parameter constraints, adding the multipoles ξ 0 , ξ 2 , and ξ 4 to w p (r p ) does not significantly improve the constraints.

cosmology↗
DOE OSTI2021

Three-dimensional thermo-mechanical simulations of heterogeneous solid propellants

Here in this work, we present a numerical framework that describes thermo-mechanical deformations in a burning heterogeneous solid propellant. These deformations are quasi-static at time scales associated with combustion, and the resulting thermo-mechanical formulation is discretized on a Cartesian grid using a hypoelastic law. We use a weak form of Chorin-type projection method to deal with large difference in shear modulus of the constituent materials. Extending our previous two-dimensional work, grid convergence studies for a three-dimensional propellant configuration are presented for the stress, velocity, and reference map components. Finally, simulations are carried out for a random propellant pack that is coupled to a gas phase, and we present results for the pack undergoing combustion, with and without deformations.

simulations↗
NASA NTRS1994

Improved image decompression for reduced transform coding artifacts

The perceived quality of images reconstructed from low bit rate compression is severely degraded by the appearance of transform coding artifacts. This paper proposes a method for producing higher quality reconstructed images based on a stochastic model for the image data. Quantization (scalar or vector) partitions the transform coefficient space and maps all points in a partition cell to a representative reconstruction point, usually taken as the centroid of the cell. The proposed image estimation technique selects the reconstruction point within the quantization partition cell which results in a reconstructed image which best fits a non-Gaussian Markov random field (MRF) image model. This approach results in a convex constrained optimization problem which can be solved iteratively. At each iteration, the gradient projection method is used to update the estimate based on the image model. In the transform domain, the resulting coefficient reconstruction points are projected to the particular quantization partition cells defined by the compressed image. Experimental results will be shown for images compressed using scalar quantization of block DCT and using vector quantization of subband wavelet transform. The proposed image decompression provides a reconstructed image with reduced visibility of transform coding artifacts and superior perceived quality.

Orourke, Thomas P.↗
DOE OSTI2026

Hamiltonian simulation in Zeno subspaces

Here, we investigate the quantum Zeno effect as a framework for designing and analyzing quantum algorithms for Hamiltonian simulation. We show that frequent projective measurements of an ancilla qubit register can be used to simulate quantum dynamics on a target qubit register with a circuit complexity similar to randomized approaches. The classical sampling overhead in the latter approaches is traded for ancilla qubit overhead in Zeno-based approaches. A second-order Zeno sequence is developed to improve scaling and implementations through unitary kicks are discussed. We derive rigorous error bounds that allow for identifying the associated circuit complexities for the first- and second-order Zeno sequences. We show that the circuits over the combined register can be identified as a subroutine commonly used in post-Trotter Hamiltonian simulation methods. We build on this observation to reveal connections between different Hamiltonian simulation algorithms.

Hamiltonian simulation↗
NASA NTRS1989

Optical archiving for scientific data

Write-once-read-many (WORM) optical disk technology is now practical for use as (1) a near online storage media, (2) long-term storage in a passive repository, and (3) under some circumstances, transporting from and to data generators and data users at remote sites. Optical technology provides several significant advantages over magnetic tapes as a data storage media because it is more compact, provides random access, has a longer lifetime, at least 30 years, and is less sensitive to environmental factors such as temperature and humidity. Two major archival projects using optical technology underway are discussed: the Coastal Zone Color Scanner data and the Dynamics Explorer data. Both projects have used the software for optical archive and retrieval (SOAR) to transfer data in a volume format that can be read transparently by VAX/VMS. Through the use of this software technique, (1) data generators and data users do not have to rewrite extant software and (2) the VAX/VMS Files-11 volume format is in wide use, so it can serve as an interim standard and will be accessible in the long-term.

Lowrey, Barbara E.↗