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

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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Knowledge Graph for End-to-End Traceability of an Integrated Human-Earth System Model

Integrated human-Earth system models inform energy-water-land system dynamics and policies, yet their results are difficult to trace through input-data, model structure, scenario configurations, and solved outputs. Because this information is siloed across disconnected artifacts, process-based IAMs have historically lacked a unified, queryable representation. Such lack of traceability prevents researchers from systematically isolating the multi-sector drivers of complex outcomes (such as tracing water-scarcity results back to distant energy-system dynamics) or conducting holistic uncertainty attribution across hundreds of interacting parameters. To address this concern, our work documents the software engineering process of a knowledge graph that unifies these four layers for the Global Change Analysis Model (GCAM-USA_Reference scenario, GCAM v9.1). The graph was built as a relational property graph in DuckDB from the run’s own artifacts: the input-preparation dependency map (gcamdata chunk map), the model’s XML input files, the run configuration, and the results database (BaseX), successfully mapping the model’s declared structure. The resulting graph comprises 204,321 nodes and 1,687,814 edges across 16 node types and 15 edge types, with approximately 16.3 million time-series values stored separately to maintain structural efficiency. To ensure representation fidelity, every edge carries an epistemic-status annotation recording the warrant for the relationship (structural, provenance, dependency, or model-derived), and a machine-readable provenance ledger classifying the origin of every schema element. Evaluation against a fixed five-benchmark suite with locked baselines reports zero structural orphans, zero dangling edge endpoints, and 100% of output-producing technologies traceable to raw input files. Two interactive interfaces present the graph, including a serverless browser application built on DuckDB-Wasm. By establishing the first end-to-end provenance framework for an IAM, this work enables researchers and scientists to systematically audit complex policy scenarios, debug model structures, and trace policy-relevant outputs to their data origins in real time.

Artifical Intelligence↗
DOE OSTI2015

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

Two new hybrid lead halides (H{sub 2}BDA)[PbI{sub 4}] (1) (H{sub 2}BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI{sub 3}] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively. - Graphical abstract: Two new hybrid lead halides built on one-dimensional edge-sharing double chains and two-dimensional corner-sharing perovskite layers are synthesized and their structural and electronic properties are analyzed. - Highlights: • Two new hybrid lead iodides are designed, synthesized, and characterized. • They are closely related to, but different from, perovskite structures. • The electronic properties of both compounds are analyzed by DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Microstructural and micromechanical characterization of IN718 theta shaped specimens built with electron beam melting

Theta-shaped specimens were additively manufactured out of Inconel 718 powders using an electron beam melting technique, as a model complex load bearing structure. We employed two different build strategies; producing two sets of specimens. Microstructural and micro-mechanical characterizations were performed using electron back-scatter, synchrotron x-ray and in-situ neutron diffraction techniques. In particular, the cross-members of the specimens were the focus of the synchrotron x-ray and in-situ neutron diffraction measurements. The build strategies employed resulted in the formation of distinct microstructures and crystallographic textures, signifying the importance of build-parameter manipulation for microstructural optimization. Large strain anisotropy of the different lattice planes was observed during in-situ loading. Texture was concluded to have a distinct effect upon both the axial and transverse strain responses of the cross-members. In particular, the (200), (220) and (420) transverse lattice strains all showed unexpected overlapping trends in both builds. This was related to the strong {200} textures along the build/loading direction, providing agreement between the experimental and calculated results.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The algebraic structure of gravitational scrambling

We introduce a new algebraic framework to describe gravitational scrambling, including the semiclassical limit of any out-of-time-order correlation function that is built out of operator insertions separated by approximately the scrambling time. In two dimensions, the scrambling algebra, which we call a modular-twisted product, is defined in terms of two copies of the Leutheusser-Liu half-sided modular inclusion of von Neumann algebras; these describe early- and late-time operators respectively. In limits where the separation between insertions is taken to be either significantly greater or smaller than the scrambling time, the modular-twisted product reduces, respectively, to free- and tensor-product algebras that were previously studied in [arXiv:2209.10454]. In a sense, the modular-twisted product interpolates between these two products. Including the Hamiltonian in the scrambling algebra leads to a Type II$_\infty$ von Neumann algebra with finite renormalized entropies that interpolate between single-QES and multi-QES phases. We also describe how to generalize the modular-twisted product algebra to higher dimensions, including spatially localized boundary excitations.

FOS: Physical sciences↗
NASA NTRS1989

Incorporation of measured photosynthetic rate in a mathematical model for calculation of non-structural saccharide concentration

A simple mathematical model for calculating the concentration of mobile carbon skeletons in the shoot of soya bean plants [Glycine max (L.) Merrill cv. Ransom] was built to examine the suitability of measured net photosynthetic rates (PN) for calculation of saccharide flux into the plant. The results suggest that either measurement of instantaneous PN overestimated saccharide influx or respiration rates utilized in the model were underestimated. If neither of these is the case, end-product inhibition of photosynthesis or waste respiration through the alternative pathway should be included in modelling of CH2O influx or efflux; and even if either of these is the case, the model output at a low coefficient of leaf activity indicates that PN still may be controlled by either end-product inhibition or alternative respiration.

NASA Program CELSS↗
NASA NTRS1990

Out of plane analysis for composite structures

Simple two dimensional analysis techniques were developed to aid in the design of strong joints for integrally stiffened/bonded composite structures subjected to out of plane loads. It was found that most out of plane failures were due to induced stresses arising from rapid changes in load path direction or geometry, induced stresses due to changes in geometry caused by buckling, or direct stresses produced by fuel pressure or bearing loads. While the analysis techniques were developed to address a great variety of out of plane loading conditions, they were primarily derived to address the conditions described above. The methods were developed and verified using existing element test data. The methods were demonstrated using the data from a test failure of a high strain wingbox that was designed, built, and tested under a previous program. Subsequently, a set of design guidelines were assembled to assist in the design of safe, strong integral composite structures using the analysis techniques developed.

Paul, P. C.↗
NASA NTRS1987

Space station structures and dynamics test program

The design, construction, and operation of a low-Earth orbit space station poses unique challenges for development and implementation of new technology. The technology arises from the special requirement that the station be built and constructed to function in a weightless environment, where static loads are minimal and secondary to system dynamics and control problems. One specific challenge confronting NASA is the development of a dynamics test program for: (1) defining space station design requirements, and (2) identifying the characterizing phenomena affecting the station's design and development. A general definition of the space station dynamic test program, as proposed by MSFC, forms the subject of this report. The test proposal is a comprehensive structural dynamics program to be launched in support of the space station. The test program will help to define the key issues and/or problems inherent to large space structure analysis, design, and testing. Development of a parametric data base and verification of the math models and analytical analysis tools necessary for engineering support of the station's design, construction, and operation provide the impetus for the dynamics test program. The philosophy is to integrate dynamics into the design phase through extensive ground testing and analytical ground simulations of generic systems, prototype elements, and subassemblies. On-orbit testing of the station will also be used to define its capability.

Moore, Carleton J.↗
DOE OSTI2018

The multi-assumption architecture and testbed (MAAT v1.0): R code for generating ensembles with dynamic model structure and analysis of epistemic uncertainty from multiple sources

Abstract. Here, computer models are ubiquitous tools used to represent systems across many scientific and engineering domains. For any given system, many computer models exist, each built on different assumptions and demonstrating variability in the ways in which these systems can be represented. This variability is known as epistemic uncertainty, i.e. uncertainty in our knowledge of how these systems operate. Two primary sources of epistemic uncertainty are (1) uncertain parameter values and (2) uncertain mathematical representations of the processes that comprise the system. Many formal methods exist to analyse parameter-based epistemic uncertainty, while process-representation-based epistemic uncertainty is often analysed post hoc, incompletely, informally, or is ignored. In this model description paper we present the multi-assumption architecture and testbed (MAAT v1.0) designed to formally and completely analyse process-representation-based epistemic uncertainty. MAAT is a modular modelling code that can simply and efficiently vary model structure (process representation), allowing for the generation and running of large model ensembles that vary in process representation, parameters, parameter values, and environmental conditions during a single execution of the code. MAAT v1.0 approaches epistemic uncertainty through sensitivity analysis, assigning variability in model output to processes (process representation and parameters) or to individual parameters. In this model description paper we describe MAAT and, by using a simple groundwater model example, verify that the sensitivity analysis algorithms have been correctly implemented. The main system model currently coded in MAAT is a unified, leaf-scale enzyme kinetic model of C 3 photosynthesis. In the Appendix we describe the photosynthesis model and the unification of multiple representations of photosynthetic processes. The numerical solution to leaf-scale photosynthesis is verified and examples of process variability in temperature response functions are provided. For rapid application to new systems, the MAAT algorithms for efficient variation of model structure and sensitivity analysis are agnostic of the specific system model employed. Therefore MAAT provides a tool for the development of novel or toy models in many domains, i.e. not only photosynthesis, facilitating rapid informal and formal comparison of alternative modelling approaches.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Design Criteria for X-CRV Honeycomb Panels: A Preliminary Study

The objective of this project is to perform the first step in developing structural design criteria for composite sandwich panels that are to be used in the aeroshell of the crew return vehicle (X-CRV). The preliminary concept includes a simplified method for assessing the allowable strength in the laminate material. Ultimately, it is intended that the design criteria be extended to address the global response of the vehicle. This task will require execution of a test program as outlined in the recommendation section of this report. The aeroshell of the X-CRV is comprised of composite sandwich panels consisting of fiberite face sheets and a phenolic honeycomb core. The function of the crew return vehicle is to enable the safe return of injured or ill crewpersons from space station, the evacuation of crew in case of emergency or the return of crew if an orbiter is not available. A significant objective of the X-CRV project is to demonstrate that this vehicle can be designed, built and operated at lower cost and at a significantly faster development time. Development time can be reduced by driving out issues in both structural design and manufacturing concurrently. This means that structural design and analysis progresses in conjunction with manufacturing and testing. Preliminary tests results on laminate coupons are presented in the report. Based on these results a method for detection material failure in the material is presented. In the long term, extrapolation of coupon data to large scale structures may be inadequate. Test coupons used to develop failure criteria at the material scale are typically small when compared to the overall structure. Their inherent small size indicates that the material failure criteria can be used to predict localized failure of the structure, however, it can not be used to predict failure for all failure modes. Some failure modes occur only when the structure or one of its sub-components are studied as a whole. Conversely, localized failure may not indicate failure of the structure as a whole and the amount of reserve capacity, if any, should be assessed. To develop a complete design criteria experimental studies of the sandwich panel are needed. Only then can a conservative and accurate design criteria be developed. This criteria should include effects of flaws and defects, and environmental factors such as temperature and moisture. Preliminary results presented in this report suggest that a simplified analysis can be used to predict the strength of a laminate. Testing for environmental effects have yet to be included in this work. The so called 'rogue flaw test' appears to be a promising method for assessing the effect of a defect in a laminate. This method fits in quite well with the philosophy of achieving a damage tolerant design.

Caccese, Vincent↗
DOE OSTI2017

Strain-engineered growth of two-dimensional materials

The application of strain to semiconductors allows for controlled modification of their band structure. This principle is employed for the manufacturing of devices ranging from high-performance transistors to solid-state lasers. Traditionally, strain is typically achieved via growth on lattice-mismatched substrates. For two-dimensional (2D) semiconductors, this is not feasible as they typically do not interact epitaxially with the substrate. Here in this paper, we demonstrate controlled strain engineering of 2D semiconductors during synthesis by utilizing the thermal coefficient of expansion mismatch between the substrate and semiconductor. Using WSe 2 as a model system, we demonstrate stable built-in strains ranging from 1% tensile to 0.2% compressive on substrates with different thermal coefficient of expansion. Consequently, we observe a dramatic modulation of the band structure, manifested by a strain-driven indirect-to-direct bandgap transition and brightening of the dark exciton in bilayer and monolayer WSe 2 , respectively. The growth method developed here should enable flexibility in design of more sophisticated devices based on 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Neutron-rich matter in heaven and on Earth

Where do neutrons go? The elusive answer to such a seemingly simple question provides fundamental new insights into the structure of both atomic nuclei and neutron stars. To place the question in the proper context, consider lead-208, the element’s most abundant isotope, which contains 82 protons and 126 neutrons. As the heaviest known doubly magic nucleus, 208 Pb holds a special place in the nuclear-physics community. Just as noble gases with filled electronic shells exhibit low levels of chemical reactivity, doubly magic nuclei with filled proton and neutron shells display great stability. Because 208 Pb is heavy, the Coulomb repulsion among its protons leads to a large neutron excess. The Lead RadiusExperiment, or PREX, at the Thomas Jefferson National AcceleratorFacility in Virginia was built to measure the location of 208 Pb’s 44 excess neutrons.1 In turn, a detailed knowledge of the neutron distribution in 208 Pb illuminates the structure of a neutron star.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4′-BPY)]∙3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modeling and implementation of vertical excursion FFA in the Zgoubi ray-tracing code

Vertical Fixed Field Accelerators (vFFAs) feature complex and highly non-linear magnetic fields, which require simulation codes allowing step-wise particle tracking. Methods to model the 3D magnetic field of scaling vFFAs have been developed in the ray-tracing code Zgoubi. The field modeling and particle tracking methods include the field non-linearities, the fringe fields, and the field superposition of neighboring magnets. The procedure implements the vFFA analytical field expressions, allowing design studies and parameter optimizations using the Zgoubi built-in fit method. The vFFA procedure has been applied to a ten-fold symmetry ring with a triplet focusing structure designed to accelerate protons from 3 MeV to 12 MeV and studied under the ISIS-II proton driver prototype project. Results from particle tracking in externally generated 3D semi-analytical field maps and the developed vFFA analytical model are shown to be in excellent agreement.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Shielding development for the spallation neutron source VENUS instrument

VENUS is a neutron imaging instrument that will use a broad range of neutron wavelengths, from epithermal to cold energies, and will include enhanced contrast mechanisms. It will offer novel energy-selective imaging techniques directly connecting complex engineering materials and systems’ structures, properties, and functions to reveal practical and fundamental answers about their real-world performance. Here, the instrument will be built at SNS beamline 10, facing the decoupled poisoned hydrogen moderator. The driving cost for the instrument is the beamline and instrument cave shielding. Final analyses were performed to evaluate the thickness and composition of shielding materials for the instrument cave and beamline to meet radiation safety criteria for the instrument to start up in 2024 after completing the SNS proton power upgrade.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

High blue-near ultraviolet photodiode response of vertically stacked graphene-MoS{sub 2}-metal heterostructures

We present a study on the photodiode response of vertically stacked graphene/MoS{sub 2}/metal heterostructures in which MoS{sub 2} layers are doped with various plasma species. In comparison with undoped heterostructures, such doped ones exhibit significantly improved quantum efficiencies in both photovoltaic and photoconductive modes. This indicates that plasma-doping-induced built-in potentials play an important role in photocurrent generation. As compared to indium-tin-oxide/ MoS{sub 2}/metal structures, the presented graphene/MoS{sub 2}/metal heterostructures exhibit greatly enhanced quantum efficiencies in the blue-near ultraviolet region, which is attributed to the low density of recombination centers at graphene/MoS{sub 2} heterojunctions. This work advances the knowledge for making photo-response devices based on layered materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The Energy Transition: Advanced Nuclear Needed but Address Climate Vulnerabilities Now

The term “Energy Transition” is an attempt to capture an elaborate set of activities related to the modernization and decarbonization of energy grids. Performed concurrently and often in an ad hoc manner across local, state, regional and national boundaries, it is bringing chaos to what should arguably be one of the most conservatively managed of all critical infrastructure sectors. What’s more, with climate change producing an increasing tempo of extreme events, confidence in the intended resilient and redundant structure of the electric grids is likely to ebb. Even without these climate induced stressors, the nation’s electric grid was built for an earlier century. In addition to a drive towards greater efficiency via digitization and a continuing price decline in distributed energy resources (DERs), one could argue that climate change concerns are the primary driver of the energy transition. Non-CO2 emitting generation sources like wind and solar have become an important part of the overall generation fleet, albeit ones that cannot be counted upon to provide dispatchable power. Current projections indicate deployment of even larger percentages of DERs in coming years. Until far better storage capabilities arrive, the variability of wind and solar, inconsistent performance of traditional thermal generation plants, and energy delivery failures associated with natural gas pipelines will reinforce mounting reliability concerns. This pertains to both electric transmission and distribution. The recent shuttering of nuclear power plants in Germany, Japan, the US and elsewhere are also putting more downward pressure on dispatchable generation. Russia’s attack on Ukraine has roiled energy markets worldwide and forced some countries to return to coal as a primary fuel. In view circumstances such as these, it is essential that significant changes be made to policies and planning criteria, and to the standards and code on which they are based. Given the accelerating pace of extreme weather events, this needs to occur as soon as possible.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Preliminary Demonstration Reactor Point Design for the Fluoride Salt-Cooled High-Temperature Reactor

Development of the Fluoride Salt-Cooled High-Temperature Reactor (FHR) Demonstration Reactor (DR) is a necessary intermediate step to enable commercial FHR deployment through disruptive and rapid technology development and demonstration. The FHR DR will utilize known, mature technology to close remaining gaps to commercial viability. Lower risk technologies are included in the initial FHR DR design to ensure that the reactor can be built, licensed, and operated within an acceptable budget and schedule. These technologies include tristructural-isotropic (TRISO) particle fuel, replaceable core structural material, the use of that same material for the primary and intermediate loops, and tube-and-shell heat exchangers. This report provides an update on the development of the FHR DR. At this writing, the core neutronics and thermal hydraulics have been developed and analyzed. The mechanical design details are still under development and are described to their current level of fidelity. It is anticipated that the FHR DR can be operational within 10 years because of the use of low-risk, near-term technology options.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗