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DOE OSTI2023

Rise and fall of Mott insulating gaps in YNiO 3 paramagnets as a reflection of symmetry breaking and remaking

The YNiO 3 nickelate is a paradigm d-electron oxide that manifests the intriguing temperature-mediated sequence of three phases transitions from (i) magnetically ordered insulator to (ii) paramagnetic (PM) insulator and then to (iii) PM metal. Such phenomena raised the question of the nature of the association of magnetism and structural symmetry breaking with the appearance in (i) and (ii) and disappearance in (iii) of insulating band gaps. It is demonstrated here that first-principles mean-field–like density-functional theory (DFT), driven by molecular dynamics temperature evolution, can describe not only the origin of the magnetically long-range ordered insulating phase (i), but also the creation of an insulating paramagnet (ii) that lacks spin- long-range order, and of a metallic paramagnet (iii) as temperature rises. This approach provides the patterns of structural and magnetic symmetry breaking at different temperatures, in parallel with band gaps obtained when the evolving geometries are used as input to DFT electronic band-structure calculations. This disentangles the complex interplay among spin, charge, and orbital degrees of freedom. Analysis shows that the success in describing the rise and fall of the insulating band gaps along the phase transition sequence is enabled by allowing sufficient flexibility in describing diverse local structural and magnetic motifs as input to DFT. This entails the use of sufficiently large supercells that allow expressing structural disproportionation of octahedra, as well as a description of PM phases as a distribution of local magnetic moments (rather than using a single averaged moment). It appears that the historic dismissal of mean-field–like DFT as being unable to describe such Mott-like transitions was premature, as it was based on consideration of averaged crystallographic unit cells, a description that washes out local symmetry-breaking motifs. The magnetically ordered insulating YNiO 3 phase (i) and the PM insulating phase (ii) result in DFT from allowing symmetry breaking, evident already by considering the athermal internal energy. In contrast, the PM metallic phase (iii) is formed thermally by smearing out thus weakening symmetry breaking. Analysis of snapshots of the different forms of structural vs magnetic symmetry breaking shows that only the loss of the polymorphous distribution of magnetic moments existing in (ii) causes the fall of the band gap, resulting in the metallic state in (iii). Finally, the interesting conclusion is that such a description of the rise [in phases (i) and (ii)] and fall [in phase (iii)] of the insulating gap does not rely on the traditional Mott-like strong correlation understanding, but on breaking and remaking of magnetic and structural symmetries reflected in energy lowering.

36 MATERIALS SCIENCE↗

NASA NTRS2019

Mars Small Spacecraft Studies: Overview

NASA’s Mars Exploration Program is studying a potential Mars Sample Return (MSR) campaign consisting of a series of missions over the next decade that would return samples collected at Mars for analyses in terrestrial laboratories. It is anticipated that during such a campaign, many in the Mars science community would seek to continue high-priority science investigations in parallel to those provided by geological and astrobiological sample return investigations. To respond to this anticipated desire of the science community, JPL is performing a study of small spacecraft mission concepts to Mars that could bridge the gap between MSR and other desired science investigations at Mars. The goal of the study is to utilize smaller, affordable missions in performing highpriority science investigations as defined in the National Academy of Sciences Decadal Survey, Mars Exploration Program Analysis Group (MEPAG) goals, and Human Exploration and Operations (HEO) Strategic Knowledge Gaps. The study targets the use of small spacecraft with greater science capability than currently achievable with CubeSats. The target spacecraft wet mass is approximately 100 to 350 kilograms. Methods of access to Mars considered in this study include a self-propelled transit from Earth geosynchronous transfer orbit (GTO) to Mars as a secondary payload in a rideshare configuration. The study investigates mission concepts, science objectives, mission designs, concept of operations, enhancing technologies, and mission costs, along with launch vehicle interfaces. The cost estimates of the mission concepts studied range from below $100 million to less than $300 million for development through launch. This paper concludes with an outline of several examples of small spacecraft mission concepts to Mars that demonstrate significant scientific capability, are technically feasible, and fit within the desired cost range.

Edwards, Charles D.↗

DOE OSTI2020

Measuring the dynamic response of the thylakoid architecture in plant leaves by electron microscopy

The performance of the photosynthesis machinery in plants, including light harvesting, electron transport, and protein repair is controlled by structural changes of the thylakoid membrane system inside the chloroplasts. In particular, the structure of the stacked grana area of thylakoid membranes is highly dynamic, changing in response to different environmental cues such as light intensity. For example, the aqueous thylakoid lumen enclosed by thylakoid membranes in grana has been documented to swell in the presence of light. However, light-induced alteration of the stromal gap in the stacked grana (partition gap) and of the unstacked stroma lamellae have not been well characterized. Light-induced changes of the entire thylakoid membrane system including the lumen in both stacked and unstacked domains as well as the partition gap are presented here, and the functional implications are discussed. This structural analysis was made possible by development of a robust semi-automated image analysis method combined with optimized plant tissue fixation techniques for transmission electron microscopy generating quantitative structural results for the analysis of thylakoid ultrastructure.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Facilitating Data Collection of Maintenance Events to Populate the Hydrogen Component Reliability Database (HyCReD)

The Hydrogen Component Reliability Database (HyCReD) is a collaborative project between the National Renewable Energy Laboratory, the University of Maryland, and hydrogen stakeholders to improve safety and reliability for hydrogen facilities by implementing component reliability data taxonomies that support hydrogen infrastructure failure rate analysis. The project aims to quantify failure rates of hydrogen components through high-quality data collection and analysis on root causes and maintenance needed. HyCReD provides a common database for cataloging hydrogen component failures which exists for reliability research in many other mature industries [2]. The database fills a gap for the hydrogen community by providing a scientifically rigorous approach to quantitative risk assessment (QRA), prognostic health management (PHM), and reliability-centered maintenance (RCM) analysis. High level results will be aggregated and anonymized to protect company sensitive information; detailed results will be used to help address issues of hydrogen components. These advanced analytics will support accelerated deployment of hydrogen infrastructure by enabling better: design and safety of projects (safety codes and standards development), infrastructure reliability and cost (component failure rates, maintenance protocols), and component R&D needs (robust supply chain). A key to a successful HyCReD implementation is facilitating the ease of reporting and data quality in the database that can be used for analysis. Maintenance data was a previously identified gap in initial efforts to populate and validate the database taxonomies [3]. Collection of maintenance data will be instrumental in identifying failure modes and rates, identifying incipient component failures or reduced performance, cataloging best practices for maintenance routines and methods for prognostic health management, and quantifying the risk and effect of different failure modes. Several key priorities are identified for streamlined data collection to achieve quality and detailed failure data: Applicability, Ease of Use, Accessibility, and Information Security. The HyCReD team has now begun deployment of the database to several companies and groups that have signed non-disclosure agreements to facilitate the data collection of failures in industry hydrogen refueling station infrastructure. This paper will provide an update into the process of HyCReD deployment including the development of a coding guide for facility personnel to reference and ensure data quality and consistency from one station to another as well as implementation of contextually dependent data fields of system taxonomy and formatted entries to provide ease of use. The goal is to communicate the lessons learned from the roll-out to technicians and engineers in the field, and the addition of need for high level of security to protect all stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1976

One-dimensional numerical analysis of the transient thermal response of multilayer insulative systems

A one-dimensional numerical analysis of the transient thermal response of multilayer insulative systems has been developed. The analysis can determine the temperature distribution through a system consisting of from one to four layers, one of which can be an air gap. Concentrated heat sinks at any interface can be included. The computer program based on the analysis will determine the thickness of a specified layer that will satisfy a temperature limit criterion at any point in the insulative system. The program will also automatically calculate the thickness at several points on a vehicle and determine total system mass.

Pittman, C. M.↗

DOE OSTI2021

Specific heat and gap structure of a nematic superconductor: Application to FeSe

We report the results of our in-depth analysis of spectroscopic and thermodynamic properties of a multiorbital metal, like FeSe, which first develops a nematic order and then undergoes a transition into a superconducting state, which coexists with nematicity. We analyze the angular dependence of the gap function and specific heat C v (T) of such a nematic superconductor. We specifically address three issues: (i) the angular dependence of the gap in light of the competition between the nematicity-induced s - d mixture and the orbital transmutation of low-energy excitations in the nematic state, (ii) the effect of nematicity on the magnitude of the jump of the specific heat C v (T) at T c and the temperature dependence of C v (T) below T c , and (iii) a potential transition at T c1 < T c from an s + d state to an s + e iη d state that breaks time-reversal symmetry. We consider two scenarios for a nematic order: scenario A, in which this order develops between d xz and d yz orbitals on hole and electron pockets, and scenario B, in which there is an additional component of the nematic order for d xy fermions on the two electron pockets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Effectiveness of nature-based solutions to reduce flooding in Quad Cities Metro Area (QCMA) using SWMM-HEC based flood model

Nature-based solutions (NbS) have gained significant attention as strategies for addressing urban environmental challenges, particularly since the establishment of the UN Sustainable Development Goals (SDGs) for 2030. However, the current research on NbS for urban flood management lacks comprehensive methodological approaches for identifying suitable areas and evaluating their effectiveness across different urban settings. Here, this study attempts to fill this gap by proposing a methodological framework integrating multi-criteria analysis with a SWMM-HEC-based hydrologic and hydraulic (HH) model to assess the suitability of NbS for the Quad Cities Metro Area (QCMA), consisting of Davenport, Bettendorf, Moline, and Rock Island. Eight NbS options-green roofs, rain gardens, infiltration trenches, permeable pavements, vegetative swales, dry detention basins, retention ponds, and rain barrels/cisterns - were considered based on volumetric efficiency and runoff reduction efficiency. The study reveals that implementing the proposed NbS could have substantially reduced flood depths in key historical flood events by 21% in 1993, 15% in 2008, 16% in 2011, 23% in 2014, 40% in 2019, and 10% in 2023. The findings highlight a critical trade-off between peak runoff and NbS implementation: while NbS effectively reduce flood impacts, they also enhance volumetric efficiency by approximately 43%. In high-density areas of the QCMA, flood depth reductions of around 20% suggest that NbS are a viable solution for dense urban environments with limited space. This shows the potential for integrating NbS into existing infrastructure, offering a promising approach for cities facing increasing flooding risks. The proposed methodology provides a practical framework for incorporating NbS into urban stormwater management, addressing gaps in optimizing NbS performance, and offering a pathway to scale their application in other urban areas with various environmental and social contexts.

CMIP6↗

NASA NTRS2016

Modeling and Simulation Tools for Heavy Lift Airships

For conventional fixed wing and rotary wing aircraft a variety of modeling and simulation tools have been developed to provide designers the means to thoroughly investigate proposed designs and operational concepts. However, lighter-than-air (LTA) airships, hybrid air vehicles, and aerostats have some important aspects that are different from heavier-than-air (HTA) vehicles. In order to account for these differences, modifications are required to the standard design tools to fully characterize the LTA vehicle design and performance parameters.. To address these LTA design and operational factors, LTA development organizations have created unique proprietary modeling tools, often at their own expense. An expansion of this limited LTA tool set could be accomplished by leveraging existing modeling and simulation capabilities available in the National laboratories and public research centers. Development of an expanded set of publicly available LTA modeling and simulation tools for LTA developers would mitigate the reliance on proprietary LTA design tools in use today. A set of well researched, open source, high fidelity LTA design modeling and simulation tools would advance LTA vehicle development and also provide the analytical basis for accurate LTA operational cost assessments. This paper will present the modeling and analysis tool capabilities required for LTA vehicle design, analysis of operations, and full life-cycle support. A survey of the tools currently available will be assessed to identify the gaps between their capabilities and the LTA industry's needs. Options for development of new modeling and analysis capabilities to supplement contemporary tools will also be presented.

airship design and analysis↗

DOE OSTI2026

STM/S Grid LDOS Data and Analysis Code for Deciphering Majorana Zero Modes in Topological Superconductor

This dataset provides raw millikelvin scanning tunneling microscopy/spectroscopy (STM/S) grid spectroscopy data and Python analysis scripts supporting the manuscript “Deciphering Majorana Zero Modes in Topological Superconductor FeTe0.55Se0.45 with Machine-Learning-Assisted Spectral Deconvolution.” The dataset includes a raw grid spectroscopy file acquired on FeTe0.55Se0.45 at 40 mK under magnetic field, together with Python/Jupytext analysis scripts used for STM/S data processing, visualization, spectral deconvolution, Lorentzian peak fitting, feature extraction, machine-learning-assisted clustering, and figure generation. These files support the analysis of vortex-core local density of states and the identification of zero-bias-peak-related spectral components from complex in-gap states. The dataset is intended to provide a citable archival record of the data and analysis code associated with the published manuscript and to support transparency and reproducibility of the reported STM/S and machine-learning workflow.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1988

VSAERO analysis of tip planforms for the free-tip rotor

The results of a numerical analysis of two interacting lifting surfaces separated in the spanwise direction by a narrow gap are presented. The configuration consists of a semispan wing with the last 32 percent of the span structurally separated from the inboard section. The angle of attack of the outboard section is set independently from that of the inboard section. In the present study, the three-dimensional panel code VSAERO is used to perform the analysis. Computed values of tip surface lift and pitching moment coefficients are correlated with experimental data to determine the proper approach to model the gap region between the surfaces. Pitching moment data for various tip planforms are also presented to show how the variation of tip pitching moment with angle of attack may be increased easily in incompressible flow. Calculated three-dimensional characteristics in compressible flow at Mach numbers of 0.5 and 0.7 are presented for new tip planform designs. An analysis of sectional aerodynamic center shift as a function of Mach number is also included for a representative tip planform. It is also shown that the induced drag of the tip surface is reduced for negative incidence angles relative to the inboard section. The results indicate that this local drag reduction overcomes the associated increase in wing induced drag at high wing lift coefficients.

Martin, D. M.↗

DOE OSTI2023

Back to Basics: First Principles of HRA

Human Reliability Analysis (HRA) continues to suffer from a myriad of technical gaps in its foundations. Core issues have been widely discussed but remain largely unaddressed, although the path taken to this point was paved with good intentions. Now, while this characterization may seem dramatic it is not intended to throw doubt onto HRA as a discipline or to diminish the value it has on increasing safety and resilience in nuclear power. Rather, it is intended to communicate that HRA has some serious challenges and is desperately in need of a critical evaluation. To quote Dougherty [1], “the misrepresentations that will undoubtedly arise may serve to provoke the necessary creativity.” What bears noting is that in the last thirty years since Alan Swain declared that “no adequate HRA had ever been done,” there has been little effort to correct the issues he highlighted. Human factors practice is still poorly implemented, many complex systems are fundamentally incompatible with reliable human performance, and there remains poor foundational support for many of the assumptions within HRA. We propose three categories of issues in HRA, philosophical, theoretical, and empirical and potential solutions to these issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Mind the gap: Bridging the divide between AI aspirations and the reality of autonomous microscopy

What does materials science look like in the “Age of Artificial Intelligence?” Each material’s domain—synthesis, characterization, and modeling—has a different answer to this question, motivated by unique challenges and constraints. This work focuses on the tremendous potential of autonomous characterization within electron microscopy. We present our recent advancements in developing domain-aware, multimodal models for microscopy analysis capable of describing complex atomic systems. We then address the critical gap between the theoretical promise of autonomous microscopy and its current practical limitations, showcasing recent successes while highlighting the necessary developments to achieve robust, real-world autonomy.

2D materials↗

DOE OSTI2024

Impacts of Irradiation Structural Behavior on Thermal Hydraulics Safety Analysis to Support MURR LEU Conversion

The University of Missouri Research Reactor (MURR) located in Columbia, Missouri is one of six U.S. High Performance Research Reactors (USHPRR), including one critical facility, that is actively collaborating with U. S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Office of Reactor Conversion and Uranium Supply to convert from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. A new type of very high-density LEU fuel based on an alloy of uranium and 10 wt% molybdenum (U-10Mo) is expected to allow the conversion to LEU of MURR, as well as four other USHPRR. MURR has been working with the Reactor Conversion Pillar at Argonne to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analysis, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary safety analysis report for conversion to LEU fuels. Subsequent analyses have also been performed, including transition cycles where all-fresh LEU fuel elements are introduced upon conversion and progressing through reactor operations the core is brought to equilibrium. Thermal hydraulics safety analyses performed as part of the above have employed an assumption on channel gap reduction due to burnup-related phenomena including fuel swelling, irradiation creep, and oxide layer buildup. Recently, a series of structural analyses have been performed on the MURR LEU fuel plates and an element due to significant differences between the plate and element designs of the MURR HEU and LEU fuels. In addition, NUREG-1537 indicates that structural phenomena are to be evaluated. Two separate types of structural analyses were performed for the MURR LEU fuel element: fluid-structure interaction (FSI) and irradiation thermo-mechanical. The FSI analysis evaluated the effects of hydraulic forces on the MURR LEU fuel element to quantify the flow-induced plate deflection, and a minimal impact to the channel gap thickness was predicted under prototypic and bounding conditions. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, and thermal expansion for the MURR LEU plates and the element for prototypic thermal and irradiation conditions based on a high-fidelity approach multiphysics approach. Overall, this thermo-mechanical analysis predicts smaller gap thickness changes in previously limiting regions. Larger changes are predicted in the middle of channels, and for end channels where power density is not typically a maximum. An additional thermo-mechanical analysis was performed for the outermost HEU fuel plate, which showed a similar magnitude of deflection as the outermost LEU plate. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This report presents the results from the steady-state safety analyses for normal operation as well as the accident analyses for the two most limiting accident scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1992

PROS: An IRAF based system for analysis of x ray data

PROS is an IRAF based software package for the reduction and analysis of x-ray data. The use of a standard, portable, integrated environment provides for both multi-frequency and multi-mission analysis. The analysis of x-ray data differs from optical analysis due to the nature of the x-ray data and its acquisition during constantly varying conditions. The scarcity of data, the low signal-to-noise ratio and the large gaps in exposure time make data screening and masking an important part of the analysis. PROS was developed to support the analysis of data from the ROSAT and Einstein missions but many of the tasks have been used on data from other missions. IRAF/PROS provides a complete end-to-end system for x-ray data analysis: (1) a set of tools for importing and exporting data via FITS format -- in particular, IRAF provides a specialized event-list format, QPOE, that is compatible with its IMAGE (2-D array) format; (2) a powerful set of IRAF system capabilities for both temporal and spatial event filtering; (3) full set of imaging and graphics tasks; (4) specialized packages for scientific analysis such as spatial, spectral and timing analysis -- these consist of both general and mission specific tasks; and (5) complete system support including ftp and magnetic tape releases, electronic and conventional mail hotline support, electronic mail distribution of solutions to frequently asked questions and current known bugs. We will discuss the philosophy, architecture and development environment used by PROS to generate a portable, multimission software environment. PROS is available on all platforms that support IRAF, including Sun/Unix, VAX/VMS, HP, and Decstations. It is available on request at no charge.

Conroy, M. A.↗

DOE OSTI2025

Origin of Stabilization of Ligand-Centered Mixed Valence Ruthenium Azopyridine Complexes: DFT Insights for Neuromorphic Applications

Redox-driven conductance changes are critical processes in molecular- and coordination-complex-based memristive thin films and devices that are envisioned for neuromorphic technologies, but fundamental mechanisms of conductance switching are not fully understood. Here, we explore charge disproportionation (CD) processes in [Ru II L 2 ](PF 6 ) 2 molecular systems that intrinsically involve interfragment charge transfer (IFCT). Using a combination of ab initio molecular dynamics simulation (AIMD), time-dependent density functional theory (TD-DFT), and density functional theory (DFT) calculations, we investigate the electron transfer mechanisms and the roles of temperature and cell volumetric expansion in facilitating the counterion movements and electronic transitions required for low-cost IFCT and charge redistribution. A detailed analysis of the density of states and TD-DFT calculations highlights that unpaired electrons play a crucial role in low-energy transitions, with the azo (N=N) groups of the ligand serving as the primary sites for electronic transport between molecular fragments, further stabilizing the asymmetric state. Localization of added electrons on azo ligands occurs with negligible change at the Ru centers, supported by atomic volume expansions up to +4.74 bohr 3 , and goes along with a progressive reduction of the HOMO−LUMO gap across redox states, suggesting enhanced conductivity. The TD-DFT analysis reveals a dominant IFCT excitation at 2082.76 nm in the doubly reduced (22) state, while a stabilization energy of 1.20 eV of the asymmetric (13) state relative to the symmetric (22) state is predicted by constrained DFT. Periodic DFT and AIMD simulations emulating a molecular film show that the stabilization of the asymmetric state, relative to a symmetric one, translates in net charge separation values (order of ∼0.33 e) that are strongly linked to increased counterion mobility (average counterion displacements exceeding 0.7 Å per atom during CD events) and the involvement of azo groups in electron redistribution. These findings, which align with previously reported experimental and computational data, provide key insights into the IFCT mechanisms and electronic transport facilitated by azo groups, with important implications for redox-driven memristive and neuromorphic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Human behavior determinants of exposure to Anopheles vectors of malaria in Sumba, Indonesia

Malaria vector control interventions in Sumba, Indonesia, have not been able to eliminate malaria. Human drivers of exposure to Anopheles bites were investigated as part of a larger clinical trial evaluating the impact of a spatial repellent product on malaria incidence. Human behavioral observations (HBOs) evaluating temporal and spatial presence, sleeping behaviors, and insecticide treated net (ITN) use, were collected parallel to entomological collections—indoor and outdoor human landing catches (HLCs), and house hold surveys. Data demonstrates that mosquito access to humans, enabled by structurally open houses, is evident by the similar entomological landing rates both inside and outside households. The presence of animals inside houses was associated with increased mosquito entry–however, the number of humans present inside houses was not related to increased mosquito landing. Analyzing mosquito landing rates with human behavior data enables the spatial and temporal estimation of exposure to Anopheles bites, accounting for intervention (ITN) presence and usage. Human behavior adjusted exposure to Anopheles bites was found to be highest in the early in the evening, but continued at lower levels throughout the night. Over the night, most exposure (53%) occurred when people were indoors and not under the protection of nets (asleep or awake) followed by exposure outside (44%). Characterized gaps in protection are outdoor exposure as well as exposure indoors–when awake, and when asleep and not using ITNs. Interestingly, in the primary trial, even though there was not a significant impact of the spatial repellent on vector biting rates by themselves (16%), when factoring in human behavior, there was approximately 28% less exposure in the intervention arm than in the placebo arm. The treated arm had less human behavior adjusted bites in all spaces evaluated though there was proportionally higher exposure indoors. This analysis points to the importance of using HBOs both towards understanding gaps in protection as well as how interventions are evaluated. To mitigate ongoing transmission, understanding context specific spatial and temporal exposure based on the interactions of vectors, humans and interventions would be vital for a directed evidence-based control or elimination strategy.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1992

Large-gap magnetic suspension systems

The classification of magnetic suspension devices into small-gap and large-gap categories is addressed. The relative problems of position sensing, control systems, power supplies, electromagnets, and magnetic field or force analysis are discussed. The similarity of all systems from a controls standpoint is qualified. Some applications where large-gap technology is being applied to systems with a physically small air-gap are mentioned. Finally, the applicability of some other suspension approaches, such as electrodynamic or superconducting are briefly addressed.

Britcher, Colin P.↗

NASA NTRS2001

Thermal Fault Tolerance Analysis of Carbon Fiber Rope Barrier Systems for Use in the Reusable Solid Rocket Motor ( RSRM) Nozzle Joints

Carbon Fiber Rope (CFR) thermal barrier systems are being considered for use in several RSRM (Reusable Solid Rocket Motor) nozzle joints as a replacement for the current assembly gap close-out process/design. This study provides for development and test verification of analysis methods used for flow-thermal modeling of a CFR thermal barrier subject to fault conditions such as rope combustion gas blow-by and CFR splice failure. Global model development is based on a 1-D (one dimensional) transient volume filling approach where the flow conditions are calculated as a function of internal 'pipe' and porous media 'Darcy' flow correlations. Combustion gas flow rates are calculated for the CFR on a per-linear inch basis and solved simultaneously with a detailed thermal-gas dynamic model of a local region of gas blow by (or splice fault). Effects of gas compressibility, friction and heat transfer are accounted for the model. Computational Fluid Dynamic (CFD) solutions of the fault regions are used to characterize the local flow field, quantify the amount of free jet spreading and assist in the determination of impingement film coefficients on the nozzle housings. Gas to wall heat transfer is simulated by a large thermal finite element grid of the local structure. The employed numerical technique loosely couples the FE (Finite Element) solution with the gas dynamics solution of the faulted region. All free constants that appear in the governing equations are calibrated by hot fire sub-scale test. The calibrated model is used to make flight predictions using motor aft end environments and timelines. Model results indicate that CFR barrier systems provide a near 'vented joint' style of pressurization. Hypothetical fault conditions considered in this study (blow by, splice defect) are relatively benign in terms of overall heating to nozzle metal housing structures.

Clayton, J. Louie↗