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DOE OSTI2023

The oscillating Fischer-Tropsch reaction

The mechanistic steps that underlie the formation of higher hydrocarbons in catalytic carbon monoxide (CO) hydrogenation at atmospheric pressure over cobalt-based catalysts (Fischer-Tropsch synthesis) have remained poorly understood. Here, we reveal nonisothermal rate-and-selectivity oscillations that are self-sustained over extended periods of time (>24 hours) for a cobalt/cerium oxide catalyst with an atomic ratio of cobalt to cerium of 2:1 (Co 2 Ce 1 ) at 220°C and equal partial pressures of the reactants. A microkinetic mechanism was used to generate rate-and-selectivity oscillations through forced temperature oscillations. Experimental and theoretical oscillations were in good agreement over an extended range of reactant pressure ratios. Additionally, phase portraits for hydrocarbon production were constructed that support the thermokinetic origin of our rate-and-selectivity oscillations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Influence of buffer-layer construction and substrate orientation on the electron mobilities in metamorphic In{sup 0.70}Al{sup 0.30}As/In{sup 0.76}Ga{sup 0.24}As/In{sup 0.70}Al{sup 0.30}As structures on GaAs substrates

The influence of construction of the buffer layer and misorientation of the substrate on the electrical properties of In{sup 0.70}Al{sup 0.30}As/In{sup 0.76}Ga{sup 0.24}As/In{sup 0.70}Al{sup 0.30}As quantum wells on a GaAs substrate is studied. The temperature dependences (in the temperature range of 4.2 K < T < 300 K) and field dependences (in magnetic fields as high as 6 T) of the sample resistances are measured. Anisotropy of the resistances in different crystallographic directions is detected; this anisotropy depends on the substrate orientation and construction of the metamorphic buffer layer. In addition, the Hall effect and the Shubnikov–de Haas effect are studied. The Shubnikov–de Haas effect is used to determine the mobilities of electrons separately in several occupied dimensionally quantized subbands in different crystallographic directions. The calculated anisotropy of mobilities is in agreement with experimental data on the anisotropy of the resistances.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Single-cell proteomics of Arabidopsis leaf mesophyll reveals dynamic protein responses to water-deficit stress

Background The application of single-cell omics tools to biological systems can provide unique insights into diverse cellular populations and their heterogeneous responses to internal and external perturbations. Thus far, most single-cell studies in plant systems have been limited to RNA-sequencing approaches, which only provide indirect readouts of cellular functions. Results Here, we present a single-cell proteomics workflow for plant cells that integrates tape-sandwich protoplasting, piezoelectric cell sorting, nanoPOTS sample preparation, and ion mobility-based MS data acquisition method for label-free single-cell proteomics analysis of Arabidopsis leaf mesophyll cells. From a single leaf protoplast, over 3,000 proteins were quantified with high precision. The workflow is demonstrated to identify stress associated changes in protein abundance by analyzing 117 protoplasts from well-watered and water-deficit stressed plants. Additionally, we describe a new approach for constructing covarying protein networks at the single-cell level and demonstrate how single-cell protein covariation analysis can reveal previously unrecognized protein functions while also capturing stress-induced changes in protein–protein dynamics. Conclusions The label-free scProteomic approach presented here represents a significant advance through the demonstration of a facile protoplast isolation method combined with deep and precise proteomic coverage of Arabidopsis leaf mesophyll cell types. We believe this study will serve as an informative reference to future plant scProteomic investigations.

Arabidopsis↗

DOE OSTI2026

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗

DOE OSTI2013

RELAP5-3D Restart and Backup Verification Testing

Existing testing methodology for RELAP5-3D employs a set of test cases collected over two decades to test a variety of code features and run on a Linux or Windows platform. However, this set has numerous deficiencies in terms of code coverage, detail of comparison, running time, and testing fidelity of RELAP5-3D restart and backup capabilities. The test suite covers less than three quarters of the lines of code in the relap directory and just over half those in the environmental library. Even in terms of code features, many are not covered. Moreover, the test set runs many problems long past the point necessary to test the relevant features. It requires standard problems to run to completion. This is unnecessary for features can be tested in a short-running problem. For example, many trips and controls can be tested in the first few time steps, as can a number of fluid flow options. The testing system is also inaccurate. For the past decade, the diffem script has been the primary tool for checking that printouts from two different RELAP5-3D executables agree. This tool compares two output files to verify that all characters are the same except for those relating to date, time and a few other excluded items. The variable values printed on the output file are accurate to no more than eight decimal places. Therefore, calculations with errors in decimal places beyond those printed remain undetected. Finally, fidelity of restart is not tested except in the PVM sub-suite and backup is not specifically tested at all. When a restart is made from any midway point of the base-case transient, the restart must produce the same values. When a backup condition occurs, the code repeats advancements with the same time step. A perfect backup can be tested by forcing RELAP5 to perform a backup by falsely setting a backup condition flag at a user-specified-time. Comparison of the calculations of that run and those produced by the same input w/o the spurious condition should be identical. Backup testing is more difficult the other kinds of testing described above because it requires additional coding to implement. The testing system constructed and described in this document resolves all of these issues. A matrix of test features and short-running cases that exercise them is presented. A small information file that contains sufficient data to verify calculations to the last decimal place and bit is produced. This testing system is used to test base cases (called null testing) as well as restart and backup cases. The programming that implements these new capabilities is presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

Greenbuilt Retrofit Test House (Final Report)

The Greenbuilt house is a 1980's era house in the Sacramento area that was a prominent part of Sacramento Municipal Utility District's (SMUD) Energy Efficient Remodel Demonstration Program. The house underwent an extensive remodel, aimed at improving overall energy efficiency with a goal of reducing the home's energy use by 50%. NREL researchers performed a number of tests on the major systems touched by the retrofit to ensure they were working as planned. Additionally, SMUD rented the house from Greenbuilt Construction for a year to allow NREL to perform a number of tests on the cooling system and the water heating system. The goal of the space conditioning tests was to find the best ways to cut cooling loads and shift the summer peak. The water heating system, comprised of an add-on heat pump water heater and an integrated collector-storage solar water heater, was operated with a number of different draw profiles to see how varying hot water draw volume and schedule affected the performance of the system as a whole. All the experiments were performed with the house empty, with a simulated occupancy schedule running in the house to mimic the load imposed by real occupants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Search for the Neutrino Less Double Beta Decay

During the past few years our understanding of neutrino properties has reached a new level, with experiments such as Super-K, SNO, KamLAND, and others obtaining exciting results. Major questions such as “Do neutrinos have mass?” and “Do neutrinos oscillate?” now have positive answers. However, an extensive program of neutrino research remains. Undoubtedly, the most important of these is the question pointed out by the National Research Council in its February 2002 report “Connecting Quarks with the Cosmos”, specifically: What are the masses of neutrinos and how have they shaped the evolution of the Universe? The MAJORANA collaboration has proposed to build the world’s most sensitive one-ton scale experiment to search for neutrino less double beta decay to answer this question. In its initial stage, the collaboration is building a prototype MAJORANA DEMONSTRATOR (MJD) experiment consisting of detectors made out of enriched Ge 76 with a total sensitive mass of ~30 kg. This will accomplish two goals. First, it will test not yet confirmed claim for observation of neutrino-less double beta decay. Second, it will establish that the selected technology is capable of extension to a one-ton experiment with sufficient sensitivity to measure neutrino mass m ββ down to 10 meV. To achieve the last goal, collaboration must demonstrate that a background level of 1 count per year per 4 keV per ton of detector is achievable. The University of Tennessee (UT) neutrino group has made a major commitment to the MJD. P.I. accepted the responsibility for one of the major tasks of the experiment, “Materials and Assay Task” which is crucial to the achievement of low background levels required for the experiment. In addition, the UT group is committed to construct, commission, and operate the MJD active veto system. Those activities were supported by NP-DOE via program funding for “Search for the Neutrino Less Double Beta Decay” at the University of Tennessee. We would like to report the results and achievements under this grant for Material and Assay Task and for task to build and deploy veto system for the Majorana Experiment separately.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Searching for Physics Beyond the Standard Model at the Intensity Frontier (Final Technical Report)

The goals of this project are the goals of the E989 experiment, the new muon g -2 experiment at Fermilab. This experiment will measure the anomalous magnetic moment of the muon with a precision of 0.14 parts-per-million, a factor of four improvement over the previous experimental measurement. The initial proposal envisioned significant contribution to the design, construction, and commissioning of the straw tube tracking system. Significant contributions were made to the design and commissioning, while the bulk of the construction was shifted to other collaborating institutions. Additional scope was undertaken, with the NIU group having primary responsibility for the assembly and commissioning of the experiment’s slow controls system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Biopolymer Concrete

Cement production for concrete has been responsible for ~7–8% of global greenhouse gas (GHG) emissions, and nearly equally contribution for steel production processes (EPA, 2020). In order to achieve carbon neutrality by 2050, a novel solution has to be investigated. This project aims to develop fundamental mechanistic understanding and experimental characterization to create a 3D printable biopolymer concrete using plant-based polyurethane as an innovative and sustainable alternative for Portland cement concrete, with significantly low carbon footprint. Future construction will utilize the advances in digital additive manufacturing (3D printing) to produce optimal geometries with a minimum waste of materials. Understanding the polymerization process, factors impacting the composite rheology, and the structural behavior of this biopolymer concrete will enable us to engineer the next generation of concrete structures with low carbon footprint. This project aims to improve the nation’s ability to control Greenhouse Gas emission neutrality for the set goal of 2050 via introducing a structurally viable bio-based polymer concrete.

42 ENGINEERING↗

DOE OSTI2019

Application of Directed Energy Deposition for Transformational Challenge Reactor Core

The following report focuses on utilizing directed energy deposition (DED) for constructing the Transformational Challenge Reactor core. Multiple additive manufacturing processes are under investigation to evaluate the advantages and viability of each process for direct manufacturing of complex structures needed for future nuclear reactors. Technologies under investigation include binder jet, laser powder bed (LPB) fusion, electron beam powder bed fusion, and DED. Each process has advantages and disadvantages. For the core design, the current manufacturing approach consists of integrating LPB with DED. This hybrid manufacturing approach uses LPB for the core’s top and bottom manifold (where complexity is high) and DED for the manufacture of the cladding, where complexity is still high but geometric variability, size, and speed are better suited for DED. Research has focused on processing parameter development, evaluation of toolpath generation algorithms, core designs suitable for DED, manufacturing tolerances for integration of fuel elements, and seamless calibration and integration of LPB components into a DED build volume to create monolithic structures based on integrating these technologies. The following report highlights reactor core design as it relates to DED and experimental validation of test components necessary for finalizing the core design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1977

Orbital construction demonstration study. Volume 3: Requirements document

A comprehensive set of requirements that defines the objective, scope and configuration of the orbital test facility needed to demonstrate the necessary automated fabrication, construction and assembly technology is provided. In addition to the requirements for the orbital demonstration facility, a detailed list of experiment requirements is included for various areas of technology.

Source record↗

NASA NTRS1982

Design, analysis and test verification of advanced encapsulation systems

An analytical methodology for advanced encapsulation designs was developed. From these methods design sensitivities are established for the development of photovoltaic module criteria and the definition of needed research tasks. Analytical models were developed to perform optical, thermal, electrical and analyses on candidate encapsulation systems. From these analyses several candidate systems were selected for qualification testing. Additionally, test specimens of various types are constructed and tested to determine the validity of the analysis methodology developed. Identified deficiencies and/or discrepancies between analytical models and relevant test data are corrected. Prediction capability of analytical models is improved. Encapsulation engineering generalities, principles, and design aids for photovoltaic module designers is generated.

Garcia, A., III↗

NASA NTRS1984

The structures and the role of an international agency for the control of satellites

Legal questions involved in the liability of a proposed agency which would control internationally owned satellites for monitoring worldwide compliance with arms control agreements are discussed. Difficulties in acquiring the signed consent of all the relevant nations, and guaranteeing satisfactory compliance with the terms of such an agreement are noted. Additional problems to be solved comprise the construction of the ground based facilities and the satellites, the funding for the venture, and the reconciliation of the functions of the proposed agency with the sovereignty of individual states. The agency would gather, treat, and format data for signatories of arms control agreements and provide technical assistance in crisis conditions. It is concluded that the existence and functioning of the agency would reduce the amount of classified information and would consequently reduce the level of international tensions.

Dupuy, R. J.↗

NASA NTRS1985

Multivariate Spline Algorithms for CAGD

Two special polyhedra present themselves for the definition of B-splines: a simplex S and a box or parallelepiped B, where the edges of S project into an irregular grid, while the edges of B project into the edges of a regular grid. More general splines may be found by forming linear combinations of these B-splines, where the three-dimensional coefficients are called the spline control points. Univariate splines are simplex splines, where s = 1, whereas splines over a regular triangular grid are box splines, where s = 2. Two simple facts render the development of the construction of B-splines: (1) any face of a simplex or a box is again a simplex or box but of lower dimension; and (2) any simplex or box can be easily subdivided into smaller simplices or boxes. The first fact gives a geometric approach to Mansfield-like recursion formulas that express a B-spline in B-splines of lower order, where the coefficients depend on x. By repeated recursion, the B-spline will be expressed as B-splines of order 1; i.e., piecewise constants. In the case of a simplex spline, the second fact gives a so-called insertion algorithm that constructs the new control points if an additional knot is inserted.

Boehm, W.↗

NASA NTRS1987

Real time animation of space plasma phenomena

In pursuit of real time animation of computer simulated space plasma phenomena, the code was rewritten for the Massively Parallel Processor (MPP). The program creates a dynamic representation of the global bowshock which is based on actual spacecraft data and designed for three dimensional graphic output. This output consists of time slice sequences which make up the frames of the animation. With the MPP, 16384, 512 or 4 frames can be calculated simultaneously depending upon which characteristic is being computed. The run time was greatly reduced which promotes the rapid sequence of images and makes real time animation a foreseeable goal. The addition of more complex phenomenology in the constructed computer images is now possible and work proceeds to generate these images.

Jordan, K. F.↗

NASA NTRS1989

Advances and directions of ion nitriding/carburizing

Ion nitriding and carburizing are plasma activated thermodynamic processes for the production of case hardened surface layers not only for ferrous materials, but also for an increasing number of nonferrous metals. When the treatment variables are properly controlled, the use of nitrogenous or carbonaceous glow discharge medium offers great flexibility in tailoring surface/near-surface properties independently of the bulk properties. The ion nitriding process has reached a high level of maturity and has gained wide industrial acceptance, while the more recently introduced ion carburizing process is rapidly gaining industrial acceptance. The current status of plasma mass transfer mechanisms into the surface regarding the formation of compound and diffusion layers in ion nitriding and carbon build-up ion carburizing is reviewed. In addition, the recent developments in design and construction of advanced equipment for obtaining optimized and controlled case/core properties is summarized. Also, new developments and trends such as duplex plasma treatments and alternatives to dc diode nitriding are highlighted.

Spalvins, Talivaldis↗

NASA NTRS1992

Transmittance measurements of ultraviolet and visible wavelength filters flown aboard LDEF

A set of ten interference filters were supplied to be mounted on experiment no. A0-147 of LDEF. The results of spectral transmission measurements before delivery and after recovery are presented. Included are descriptions of the construction and materials included in the filters. Additional results from photographic microscopic and surface analytical observations are being gathered and will be presented later.

Mooney, Thomas A.↗

NASA NTRS2003

Scale-free Graphs for General Aviation Flight Schedules

In the late 1990s a number of researchers noticed that networks in biology, sociology, and telecommunications exhibited similar characteristics unlike standard random networks. In particular, they found that the cummulative degree distributions of these graphs followed a power law rather than a binomial distribution and that their clustering coefficients tended to a nonzero constant as the number of nodes, n, became large rather than O(1/n). Moreover, these networks shared an important property with traditional random graphs as n becomes large the average shortest path length scales with log n. This latter property has been coined the small-world property. When taken together these three properties small-world, power law, and constant clustering coefficient describe what are now most commonly referred to as scale-free networks. Since 1997 at least six books and over 400 articles have been written about scale-free networks. In this manuscript an overview of the salient characteristics of scale-free networks. Computational experience will be provided for two mechanisms that grow (dynamic) scale-free graphs. Additional computational experience will be given for constructing (static) scale-free graphs via a tabu search optimization approach. Finally, a discussion of potential applications to general aviation networks is given.

Alexandov, Natalia M.↗