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DOE OSTI2021

BETO 2021 Peer Review - Electrocatalytic CO2 Utilization

The goal of the ChemCatBio DataHub project is to accelerate the catalyst and process development cycle by developing transformational tools for prediction and collaboration in catalyst R&D. The project is currently focused on the development of the Catalyst Property Database (CPD), a free and public resource released in September 2020. The CPD was designed to advance the state of the art for application of computational data. When computational data, such as computed reaction energetics, is used in catalyst design, it is almost always generated by the researchers seeking to use it, even if similar data has been published previously. One barrier to data reuse that results in this duplication of effort is the difficult process of finding and applying published data, which can be slow, error-prone, and manual. The CPD seeks to overcome these challenges by creating a centralized, searchable database of quality catalyst property data. At present, the CPD contains computed adsorption energies for intermediates along catalytic pathways. During FY21 and FY22, development of the CPD continues with a focus on external users and meeting their requirements. A batch upload capability, training and curation procedures, user interviews, and a demonstration of the CPD's utility in accelerating catalyst research are planned. Overall, the Data Hub project and CPD aim to reduce the time and cost of catalyst research by harnessing the power of data in catalyst discovery.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1991

Lessons learned for composite structures

Lessons learned for composite structures are presented in three technology areas: materials, manufacturing, and design. In addition, future challenges for composite structures are presented. Composite materials have long gestation periods from the developmental stage to fully matured production status. Many examples exist of unsuccessful attempts to accelerate this gestation period. Experience has shown that technology transition of a new material system to fully matured production status is time consuming, involves risk, is expensive and should not be undertaken lightly. The future challenges for composite materials require an intensification of the science based approach to material development, extension of the vendor/customer interaction process to include all engineering disciplines of the end user, reduced material costs because they are a significant factor in overall part cost, and improved batch-to-batch pre-preg physical property control. Historical manufacturing lessons learned are presented using current in-service production structure as examples. Most producibility problems for these structures can be traced to their sequential engineering design. This caused an excessive emphasis on design-to-weight and schedule at the expense of design-to-cost. This resulted in expensive performance originated designs, which required costly tooling and led to non-producible parts. Historically these problems have been allowed to persist throughout the production run. The current/future approach for the production of affordable composite structures mandates concurrent engineering design where equal emphasis is placed on product and process design. Design for simplified assembly is also emphasized, since assembly costs account for a major portion of total airframe costs. The future challenge for composite manufacturing is, therefore, to utilize concurrent engineering in conjunction with automated manufacturing techniques to build affordable composite structures. Composite design experience has shown that significant weight savings have been achieved, outstanding fatigue and corrosion resistance have been demonstrated, and in-service performance has been very successful. Currently no structural design show stoppers exist for composite structures. A major lesson learned is that the full scale static test is the key test for composites, since it is the primary structural 'hot spot' indicator. The major durability issue is supportability of thin skinned structure. Impact damage has been identified as the most significant issue for the damage tolerance control of composite structures. However, delaminations induced during assembly operations have demonstrated a significant nuisance value. The future challenges for composite structures are threefold. Firstly, composite airframe weight fraction should increase to 60 percent. At the same time, the cost of composite structures must be reduced by 50 percent to attain the goal of affordability. To support these challenges it is essential to develop lower cost materials and processes.

Whitehead, R. S.↗
DOE OSTI2026

Development and application of an environmental risk register for marine energy device and project developers

The marine energy industry is steadily advancing as more devices are deployed worldwide. However, several challenges and barriers remain, such as lingering uncertainty regarding the potential environmental effects of marine energy devices on marine animals, habitats, and ecosystems. Concerns have led to difficulty navigating permitting and consenting processes and receiving authorization to deploy devices in the marine environment, including extended timelines and costs. Based on existing risk registers, a novel marine energy environmental risk register was created to help the marine energy industry move beyond these barriers. This risk register aims to aid marine energy device and project developers identify and assess potential environmental risks early in device design or project planning, document and track potential environmental interactions, prioritize risks and determine risk responses, and make decisions throughout device or project development. It can also be used as a tool to assist in communicating with regulators and advisors during permitting processes and to inform stakeholder and community engagement efforts. This paper details the methods and process to develop a risk register specific to environmental effects of marine energy and describes two use cases (one for wave energy and another for tidal energy) to highlight example results. Due to the tool's novelty, the paper showcases its application for the marine energy industry and acknowledges limitations and possible future improvements. Overall, the environmental risk register shows promise to support marine energy developers when identifying, tracking, and addressing potential environmental risks and to help successfully navigate permitting and deploy marine energy devices responsibly.

Environmental effects↗
DOE OSTI2023

Heat Exchanger Intensification Through Powder Processing and Enhanced Design (HIPPED)

High intensity, supercritical CO 2 heat exchangers capable of operating at temperatures between 800 and 1100 ˚C and pressures greater than 80 bar are considered a critical component for high efficiency power generation and a range of next-generation industrial processes. A novel heat exchanger concept was proposed in this project. The proposed concept involved a plate-type architecture with three-dimensional fins, called twisted s-shaped fins, that capitalize on additive manufacturing. Four manufacturing processes were studied to realize the complex envisioned design: press and sinter of metallic powders, directed energy deposition, laser powder bed fusion, and a novel powder bed process involving a photoreactive polymer called SEAM (scalable expeditious additive manufacturing), that later was developed at MSU. The team was able to manufacture subscale heat exchangers using laser powder bed fusion (LPBF) and SEAM. The team settled on using SEAM as a final manufacturing approach due to its very low cost. The SEAM-manufactured heat exchanger, however, when tested under pressure, exhibited leaks and the process still requires further development beyond the timeline of the project. To support the heat exchanger design and testing, the team developed a new high temperature flow loop allowing testing under high temperature and pressure. Computational modeling of the heat exchanger was also performed for the twisted s-shaped fins and the computations were validated with experimental data. The new twisted fins resulted in enhanced heat transfer and reduced pressure drop. To further minimize pressure drop in the plate heat exchanger, the team also developed a simplified model for flow maldistribution in the manifolds, providing a new tool for designers that eliminates the need for complex CFD calculations. A technoeconomic analysis was also developed to contrast SEAM with LPBF, this tool indicated that SEAM is several times less costly and offer significant promises as a rapid low cost additive manufacturing process for metallic systems.

30 DIRECT ENERGY CONVERSION↗
NASA NTRSDate not supplied

X-Ray Computed Tomography of Apollo Drive Tube 73001 as Part of the Apollo Next Generation Sample Analysis Program

Introduction: Starting in 2019, the Apollo Next Generation Sample Analysis (ANGSA) Program has enabled consortium studies of specially curated Apollo samples that were previously unstudied (or under studied). This program was intended as a participating scientist program for these Apollo samples, as well as a preparation for upcoming lunar sample return missions (e.g., Artemis). The work began with studies of unsealed core tube 73002 [1,2] that is the upper ~35 cm of an Apollo 17 double drive tube (~70 cm total depth) collected on the landslide deposit near Lara Crater at Station 3 in the Taurus Littrow Valley. More recently the program extended to the study of a variety of frozen Apollo 17 samples [3], as well as the gas extraction [4] and dissection [5] of 73001, the lower half of the station 3 double drive tube. Sample 73001 was sealed under vacuum on the Moon in a Core Sample Vacuum Container (CSVC). In this abstract we will examine the role of X-ray Computed Tomography (XCT) during the preliminary examination process for sealed core 73001, including: (1) engineering scans to aid in understanding the gas extraction process, (2) whole-core scanning prior to opening to inform extrusion and dissection work, and (3) individual particle scanning to characterize rock fragment lithologies for follow on studies. Methodology: Sample 73001 is a 33 cm long, 4 cm diameter regolith sample collected inside a lunar drive tube (~1 mm aluminum walls). That drive tube was sealed inside a 0.5 mm thick stainless steel (SS) CSVC. XCT scans for engineering purposes were done on the Nikon XTH 320 system at Johnson Space Center using the 225 kV multi-metal reflection source at 215 kV, 179 A, and a 38.49 m voxel size. Individual >4 mm particles separated from the core during processing (then triply sealed in Teflon bags) were also scanned at JSC using the 180 kV source at 90 kV, 33 A, and a 2.98 – 10.65 m voxel size. Whole-core scans were done at the University of Texas High-Resolution X-ray Computed Tomography Facility (UTCT) on the 225 kV reflection source on the North Star Imaging cabinet XCT system. These scans included: (1) a series of 9 overlapping super-resolution scans each covering a ~4 cm length of the tube at 190 kV, 180 µA, and a 12.9 µm voxel size and (2) a lower resolution continuous helical scan of the entire core at 190 kV, 180 µA, and a 51.8 µm voxel size. Progress and Results: Before piercing and extracting the gas from sample 73001, an XCT scan of the bottom portion of the CSVC was used to confirm the location of the Teflon cap on the inner drive tube and whether there was an “air” gap between the Teflon cap and the CSVC. This was to ensure the Teflon cap (which immobilized the soil inside the drive tube) was not accidentally pierced during gas extraction. Similarly, after piercing, the bottom and top portions of the CSVC were scanned in order to capture engineering knowledge about the results of the piercing process, as well as the metal knife edge vacuum seal (SS into an In-Ag alloy). Both scans will provide constraints on future work of this type, both for the design of tools used on the lunar surface during Artemis, as well as how we open future samples of this type. An unexpected finding from these engineering scans was that the device in the drive tube that immobilizes the regolith (the keeper) was not seated in the tube properly. This meant that (1) the drive tube could not be removed from the CSVC for the trip to UTCT, and (2) the procedure for opening and extruding the drive tube had to be modified. Had either of these things not been known prior to opening the CSVC, it could have led to an inability to XCT scan the whole core at high resolution and/or potential disruption of the core stratigraphy during extrusion. At UTCT, the entire length of the core was scanned at high resolution (12.9 microns per voxel). This scan serves multiple purposes: (1) A lower resolution (and uncorrected) version of these scans stitched together was used to help inform the processors of potential pitfalls during extrusion and dissection (voids, angular fragments at the edges of the sample, etc.); and (2) the full resolution corrected data will serve as the permanent in situ record of the stratigraphy of the sample and will enable future researchers to perform a variety of analyses. All 121 >4 mm particles separated during dissection pass 1 of sample 73001 have been individually scanned. These scans clearly show the lithology of each particle while keeping the particles in pristine condition (they are individually triply bagged in Teflon within our N2 purged processing cabinets). Because of the dust adhering to particle exteriors, it would otherwise be impossible to determine lithologies in a non-contaminating way. Thus far the types of lithologies seen in sample 73001 (e.g., regolith breccias, impact-melt breccias, agglutinates, and bas-alts) are similar to those previously identified in sample 73002 [2]. By the time of the meeting, all particles from all 3 dissection passes will have been scanned and statistics on the different lithologies in 73001 compiled. References: [1] Shearer et al. (2020) 51st LPSC, abstract 1181. [2] Zeigler et al. (2020) 51st LPSC, abstract 3023. [3] Kent et al. (2022) This Volume. [4] McDonald et al. (2022) European Lunar Symposium. [5] Gross et al (2022) This volume.

Moon↗
NASA NTRS2011

Visual Object Recognition and Tracking of Tools

A method has been created to automatically build an algorithm off-line, using computer-aided design (CAD) models, and to apply this at runtime. The object type is discriminated, and the position and orientation are identified. This system can work with a single image and can provide improved performance using multiple images provided from videos. The spatial processing unit uses three stages: (1) segmentation; (2) initial type, pose, and geometry (ITPG) estimation; and (3) refined type, pose, and geometry (RTPG) calculation. The image segmentation module files all the tools in an image and isolates them from the background. For this, the system uses edge-detection and thresholding to find the pixels that are part of a tool. After the pixels are identified, nearby pixels are grouped into blobs. These blobs represent the potential tools in the image and are the product of the segmentation algorithm. The second module uses matched filtering (or template matching). This approach is used for condensing synthetic images using an image subspace that captures key information. Three degrees of orientation, three degrees of position, and any number of degrees of freedom in geometry change are included. To do this, a template-matching framework is applied. This framework uses an off-line system for calculating template images, measurement images, and the measurements of the template images. These results are used online to match segmented tools against the templates. The final module is the RTPG processor. Its role is to find the exact states of the tools given initial conditions provided by the ITPG module. The requirement that the initial conditions exist allows this module to make use of a local search (whereas the ITPG module had global scope). To perform the local search, 3D model matching is used, where a synthetic image of the object is created and compared to the sensed data. The availability of low-cost PC graphics hardware allows rapid creation of synthetic images. In this approach, a function of orientation, distance, and articulation is defined as a metric on the difference between the captured image and a synthetic image with an object in the given orientation, distance, and articulation. The synthetic image is created using a model that is looked up in an object-model database. A composable software architecture is used for implementation. Video is first preprocessed to remove sensor anomalies (like dead pixels), and then is processed sequentially by a prioritized list of tracker-identifiers.

English, James↗
NASA NTRS2007

Repair of Electronics for Long Duration Spaceflight

To reduce mission risk, long duration spaceflight and exploration activities will require greater degrees of self-sufficiency with regards to repair capability than have ever been employed before in space exploration. The current repair paradigm of replacing Orbital Replacement Units (ORUs) of malfunctioning avionics and electronic hardware will be impractical, since carrying all of the spares that could possibly be needed for a long duration mission would require upmass and volume at unprecedented and unacceptable levels. A strategy of component-level repair for electronics, however, could significantly reduce the mass and volume necessary for spares and enhance mission safety via a generic contingency capability. This approach is already used to varying degrees by the U.S. Navy, where vessels at sea experience some similar constraints such as the need for self sufficiency for moderately long time periods, and restrictions on volume of repair spares and infrastructure. The concept of conducting component-level repairs of electronics in spacecraft requires the development of design guidelines for future avionics (to enable repair), development of diagnostic techniques to allow an astronaut to pinpoint the faulty component aboard a vastly complex vehicle, and development of tools and methodologies for dealing with the physical processes of replacing the component. This physical process includes tasks such as conformal coating removal and replacement, component removal, replacement, and alignment--all in the difficulty of a reduced gravity environment. Further, the gravitational effects on the soldering process must be characterized and accounted for to ensure reliability of the newly repaired components. The Component-Level Electronics-Assembly Repair (CLEAR) project under the NASA Supportability program was established to develop and demonstrate the practicality of this repair approach. CLEAR involves collaborative efforts between NASA s Glenn Research Center, Langley Research Center, Johnson Space Center, the National Center for Space Exploration Research, and the U.S. Navy. The project goals are 1) develop and demonstrate a manually-operated electronics repair capability to be conducted in a spacecraft environment; and 2) develop guidelines for designs of electronics that facilitates component-level repair for future space exploration efforts. This multi-faceted program utilizes a cross-disciplinary approach to examine pre- and post-repair diagnostics, conformal coating removal and replacement, component soldering, and electronics design for supportability. These areas are investigated by a combination of trade studies, ground based testing, reduced gravity aircraft testing, and actual spaceflight testing on the International Space Station (ISS) in multiple experiments. This paper details the efforts of this program, with emphasis on early trade study results, ground-based efforts, and two upcoming ISS experiments.

Pettegrew, Richard D.↗
NASA NTRS1999

Ninth Thermal and Fluids Analysis Workshop Proceedings

The Ninth Thermal and Fluids Analysis Workshop (TFAWS 98) was held at the Ohio Aerospace Institute in Cleveland, Ohio from August 31 to September 4, 1998. The theme for the hands-on training workshop and conference was "Integrating Computational Fluid Dynamics and Heat Transfer into the Design Process." Highlights of the workshop (in addition to the papers published herein) included an address by the NASA Chief Engineer, Dr. Daniel Mulville; a CFD short course by Dr. John D. Anderson of the University of Maryland; and a short course by Dr. Robert Cochran of Sandia National Laboratories. In addition, lectures and hands-on training were offered in the use of several cutting-edge engineering design and analysis-oriented CFD and Heat Transfer tools. The workshop resulted in international participation of over 125 persons representing aerospace and automotive industries, academia, software providers, government agencies, and private corporations. The papers published herein address issues and solutions related to the integration of computational fluid dynamics and heat transfer into the engineering design process. Although the primary focus is aerospace, the topics and ideas presented are applicable to many other areas where these and other disciplines are interdependent.

Sakowski, Barbara↗
NASA NTRS2011

Modeling and Characterization of Damage Processes in Metallic Materials

This paper describes a broad effort that is aimed at understanding the fundamental mechanisms of crack growth and using that understanding as a basis for designing materials and enabling predictions of fracture in materials and structures that have small characteristic dimensions. This area of research, herein referred to as Damage Science, emphasizes the length scale regimes of the nanoscale and the microscale for which analysis and characterization tools are being developed to predict the formation, propagation, and interaction of fundamental damage mechanisms. Examination of nanoscale processes requires atomistic and discrete dislocation plasticity simulations, while microscale processes can be examined using strain gradient plasticity, crystal plasticity and microstructure modeling methods. Concurrent and sequential multiscale modeling methods are being developed to analytically bridge between these length scales. Experimental methods for characterization and quantification of near-crack tip damage are also being developed. This paper focuses on several new methodologies in these areas and their application to understanding damage processes in polycrystalline metals. On-going and potential applications are also discussed.

Glaessgen, E. H.↗
NASA NTRS1997

Verifying Stability of Dynamic Soft-Computing Systems

Soft computing is a general term for algorithms that learn from human knowledge and mimic human skills. Example of such algorithms are fuzzy inference systems and neural networks. Many applications, especially in control engineering, have demonstrated their appropriateness in building intelligent systems that are flexible and robust. Although recent research have shown that certain class of neuro-fuzzy controllers can be proven bounded and stable, they are implementation dependent and difficult to apply to the design and validation process. Many practitioners adopt the trial and error approach for system validation or resort to exhaustive testing using prototypes. In this paper, we describe our on-going research towards establishing necessary theoretic foundation as well as building practical tools for the verification and validation of soft-computing systems. A unified model for general neuro-fuzzy system is adopted. Classic non-linear system control theory and recent results of its applications to neuro-fuzzy systems are incorporated and applied to the unified model. It is hoped that general tools can be developed to help the designer to visualize and manipulate the regions of stability and boundedness, much the same way Bode plots and Root locus plots have helped conventional control design and validation.

Wen, Wu↗
NASA NTRS2016

Exploring the Science Trade Space with the JPL Innovation Foundry A-Team

The JPL Innovation Foundry has established a new approach for exploring, developing, and evaluating early concepts with a group called the Architecture Team (A-Team). The A-Team combines innovative collaborative methods and facilitated sessions with subject matter experts and analysis tools to help mature mission concepts. Science, implementation, and programmatic elements are all considered during an ATeam study. In these studies, Concept Maturity Levels (CML) are used to group methods. These levels include idea generation and capture (CML 1), initial feasibility assessment (CML 2), and trade space exploration (CML 3). Methods used for exploring the science objectives, feasibility, and scope will be described including use of a new technique for understanding the most compelling science, called a Science Return Diagram (SRD). In the process of developing the SRD, gradients in the science trade space are uncovered along with their implications for implementation and mission architecture. Special attention is paid towards developing complete investigations, establishing a series of logical claims that lead to the natural selection of a measurement approach. Over 20 science-focused A-Team studies have used these techniques to help science teams refine their mission objectives, make implementation decisions and reveal the mission concept’s most compelling science. This paper will describe the A-Team process for exploring the mission concept's science trade space and the Science Return Diagram technique.In June of 2011 a new collaborative engineering approach forearly concept formulation began in the JPL InnovationFoundry [1], six months later becoming the “A-Team” [2].Responding to a need for exploring mission architecturelevel trades [3], the A-Team precedes Team X [4,5] in asequence of concurrent engineering teams at JPL that can beused to mature a concept from a “cocktail napkin” level ideato a complete mission point design. The A-Team efficientlyexplores the science, implementation, and programmatictrade space in early concept formulation. Small, facilitatedgroups of experts generate innovative ideas, quantitativelyassess feasibility, and discover key sensitivities in the tradespace through collaborative analysis and use of advancedmethods and tools. The A-Team process builds off theexperience within JPL and other recent approaches to earlyconcept formulation [6] including best practices of the JPLInnovation Foundry, Project Systems Engineering &Formulation Section, Team Eureka and the Rapid MissionArchitecture Team[7].The A-Team is a focal point for innovative formulationapproaches and people within JPL. It relies on a largebackground of study resources, creative thinkers and “greybeard” scrutinizers, advanced tools, and subject matterexperts with both breadth and depth in experience andexpertise that are all available at JPL. The A-Team isdesigned to be a rapid and efficient process takingapproximately 6 weeks (the entire process can be as short asjust a few days or as long as up to three months) and costingthe equivalent of a work-month of a full-time employee orless. Studies begin with detailed planning and client reviewfollowed by study sessions, analysis work, and reporting.The staffing on each study is customized to the study goalsand objectives, and it is addressed early in the A-Teamprocess. Sessions are generally half-day or whole-day eventsand conducted over a series of days with focused agendas thatare moderated by a trained facilitator. Preliminary results andknowledge capture are available within hours of each session,and a final report is generally available two weeks later.One of the biggest challenges facing early conceptdevelopment is understanding the gradient in science returnversus various available mission scenarios and payload options. Often times, major areas of scientific inquiry havealready been prioritized by science groups, including throughthe National Research Council’s Decadal Studies inAstronomy, Planetary, and Earth Science. Yet science teamscontinue to struggle, especially in competitive missionsolicitations, to capture the right amount of scope that’sachievable within the cost constraints of the opportunity.Often the desire to completely and comprehensively study ascience area in just one mission (after all, true missionopportunities are rare) drives teams to take on too much,providing requirements that are unachievable within theresources of the opportunity without inducing unacceptableimplementation risk. Alternatively, science teams can seekto reduce risk by using an established instrument, but havenot thought through the traceability and key aspects of thescience question to justify its use. Both scenarios lead to badassumptions at the beginning of the concept development thatcan then ripple through implementation option choices,potentially preventing what would have been a good scienceinvestigation from being selected.The purpose of this paper is first to provide some additionalbackground and summary of the A-Team process, tools,people, and facilities. We then focus on the A-Teammethodology for overcoming the barriers of defining thescience scope well at the early concept development stage.This includes understanding the science story andtraceability, and then examining the gradient in science returnversus key characteristics of observables, developing theright payload and mission requirement specification throughexamining the science and implementation trade space.

Ziemer, John K.↗
NASA NTRS1992

Characterization and manufacture of braided composites for large commercial aircraft structures

Braided composite materials, one of the advanced material forms which is under investigation in Boeing's ATCAS program, have been recognized as a potential cost-effective material form for fuselage structural elements. Consequently, there is a strong need for more knowledge in the design, manufacture, test, and analysis of textile structural composites. The overall objective of this work is to advance braided composite technology towards applications to a large commercial transport fuselage. This paper summarizes the mechanics of materials and manufacturing demonstration results which have been obtained in order to acquire an understanding of how braided composites can be applied to a commercial fuselage. Textile composites consisting of 1D, 2D triaxial, and 3D braid patterns with thermoplastic and two RTM resin systems were investigated. The structural performance of braided composites was evaluated through an extensive mechanical test program. Analytical methods were also developed and applied to predict the following: internal fiber architectures, stiffnesses, fiber stresses, failure mechanisms, notch effects, and the entire history of failure of the braided composites specimens. The applicability of braided composites to a commercial transport fuselage was further assessed through a manufacturing demonstration. Three foot fuselage circumferential hoop frames were manufactured to demonstrate the feasibility of consistently producing high quality braided/RTM composite primary structures. The manufacturing issues (tooling requirements, processing requirements, and process/quality control) addressed during the demonstration are summarized. The manufacturing demonstration in conjunction with the mechanical test results and developed analytical methods increased the confidence in the ATCAS approach to the design, manufacture, test, and analysis of braided composites.

Fedro, Mark J.↗
NASA NTRS1988

Space station functional relationships analysis

A systems engineering process is developed to assist Space Station designers to understand the underlying operational system of the facility so that it can be physically arranged and configured to support crew productivity. The study analyzes the operational system proposed for the Space Station in terms of mission functions, crew activities, and functional relationships in order to develop a quantitative model for evaluation of interior layouts, configuration, and traffic analysis for any Station configuration. Development of the model involved identification of crew functions, required support equipment, criteria of assessing functional relationships, and tools for analyzing functional relationship matrices, as well as analyses of crew transition frequency, sequential dependencies, support equipment requirements, potential for noise interference, need for privacy, and overall compatability of functions. The model can be used for analyzing crew functions for the Initial Operating Capability of the Station and for detecting relationships among these functions. Note: This process (FRA) was used during Phase B design studies to test optional layouts of the Space Station habitat module. The process is now being automated as a computer model for use in layout testing of the Space Station laboratory modules during Phase C.

Tullis, Thomas S.↗
DOE OSTI2024

Exploring the Influence of Linker Substitution and Ratios on Cooperative Framework Flexibility through the Mixed-Linker Approach

Cooperatively flexible metal–organic frameworks that exhibit step-shaped, or Type V-like, adsorption–desorption profiles can lower requisite pressure–temperature swings and thus energy input, necessary for an array of gas storage, delivery, and separations applications. However, such benefits are lost if the pressure threshold of the adsorption and desorption steps at a given temperature does not match the conditions dictated by the application, such as H 2 storage and delivery or olefin–paraffin separations. Unfortunately, the discovery of cooperatively flexible frameworks remains wholly serendipitous and de novo design remains impossible. Accordingly, there is a great need to further our understanding of flexibility such that we can intuitively derivatize known frameworks and, ultimately, design entirely new ones to meet the requisite conditions of energy-consumptive processes. In this work, we demonstrate that the mixed-linker, or multivariate, approach is a powerful tool for the derivation of a known flexible framework, with variances in linker substitution and ratio giving rise to a family wherein significant changes to the step-shaped adsorption–desorption profiles for multiple adsorbates are observed. Specifically, we report 12 isostructural mixed-linker derivatives of CdIF-13 (sod–Cd(benzimidazolate) 2 ) with six point-modified benzimidazole linkers spontaneously synthesized through prototypical solvothermal conditions. Furthermore, each is shown by PXRD to exhibit similar reversible flexibility to CdIF-13 and by TGA and DSC to be similarly thermally stable. Isothermal gas adsorption measurements with N 2 at 77 K, CO 2 at 195 K, and propane at 298 K demonstrate the wide-ranging, adsorbate-dependent effects of linker substitution and ratio, including dramatic reductions in the adsorption threshold pressure, evolution of multiple steps, and complete absence of observable adsorption. Aided by prior crystallographic characterization of CdIF-13, the observed trends were analyzed in an attempt to resolve the influence of linker substitution and ratios on structural behavior. In total, this work illustrates how the mixed-linker approach enables the synthesis and study of a large catalog of functionally modified frameworks, which can help identify the variables that influence flexibility and sorption behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The ABC130 barrel module prototyping programme for the ATLAS strip tracker

For the Phase-II Upgrade of the ATLAS Detector [1], its Inner Detector, consisting of silicon pixel, silicon strip and transition radiation sub-detectors, will be replaced with an all new 100% silicon tracker, composed of a pixel tracker at inner radii and a strip tracker at outer radii. The future ATLAS strip tracker will include 11,000 silicon sensor modules in the central region (barrel) and 7,000 modules in the forward region (end-caps), which are foreseen to be constructed over a period of 3.5 years. The construction of each module consists of a series of assembly and quality control steps, which were engineered to be identical for all production sites. In order to develop the tooling and procedures for assembly and testing of these modules, two series of major prototyping programs were conducted: an early program using readout chips designed using a 250 nm fabrication process (ABCN-250) [2,2] and a subsequent program using a follow-up chip set made using 130 nm processing (ABC130 and HCC130 chips). This second generation of readout chips was used for an extensive prototyping program that produced around 100 barrel-type modules and contributed significantly to the development of the final module layout. This paper gives an overview of the components used in ABC130 barrel modules, their assembly procedure and findings resulting from their tests.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

A Reverse Logistics Tool For Ev Battery Recycling And Repurposing,

The demand for electric vehicles (EVs) in the United States is projected to rise significantly, with sales expected to reach approximately 4.1 million units by 2030. However, the U.S. remains heavily reliant on imports for the batteries and critical raw materials—such as lithium, cobalt, and nickel—that power these vehicles. As of 2024, around 70% of these imports originate from China. This dependency has become even more precarious following China’s imposition of export restrictions in April 2025, a retaliatory move against U.S. tariffs. These developments highlight the strategic vulnerabilities posed by China’s dominant position in the critical materials market. Compounding the issue, decades of intensive extraction have severely depleted global reserves of critical materials, widening the gap between supply and growing demand. This situation underscores the urgent need for the U.S. and other nations to diversify their sources of critical materials and enhance domestic capabilities to secure these resources—an essential step toward ensuring long-term energy security. At the end of their lifecycle—whether due to the battery’s degradation or the retirement of the vehicle—EV batteries are often improperly disposed of or sent to landfills. However, many of these batteries still retain usable capacity and can follow one of three alternative pathways: (a) Re-used: deployed in another vehicle with a shorter driving range, (b) Re-purposed: utilized act as a backup storage/power for data centers, solar panels, and e-scotters or (c) Recycled: broken down to recover the critical materials. To that end, the proposed tool (REBORN) is designed to optimize the reverse logistics network for battery repurposing and recycling. Its goal is to minimize associated costs while identifying optimal locations for battery collection and processing. Ultimately, REBORN ensures that each battery is used to its fullest potential.

Srinivas, SrikarV. [Idaho National Laboratory (INL↗
DOE OSTI2024

Markov Decision Processes for Intelligent, Risk-Informed Asset-Management Decision-Making

Advanced nuclear reactors are a promising option for aiding the world in achieving its net-zero carbon emission goals, however, there are significant challenges to attaining and maintaining economic competitiveness with other sources of electricity. To improve the economic competitiveness of advanced reactor designs, a project was initiated to explore the use of Markov Decision Processes (MDPs) to guide asset-management decision-making during advanced reactor operation. MDPs are a powerful tool for optimizing decision-making in complex environments and their application to advanced reactors can aid in planning maintenance and repair activities to minimize downtime and maximize generation. The described approach expands on previous work regarding the use of MDPs for operational decision-making through the direct incorporation of real-time plant information. The integral MDP analysis includes information from online component diagnostic tools and the plant’s real-time generation risk assessment (GRA) and probabilistic risk assessment (PRA), which evaluate plant risk from both an economic and safety perspective. The result is an asset-management optimization framework that is based on real-time data regarding plant component status and the current best-estimate of plant risk. The paper presents an overview of the theoretical framework to incorporate the different information pathways into an integral MDP analysis, along with example analyses.

Grabaskas, David↗
NASA NTRS1972

Development of termination and utilization concepts for flat conductor cables. Volume 3: Cost study comparison, flat versus round conductor cable

A cost study comparing flat conductor cable (FCC) with small-gage wire (SGW) and conventional round conductor cable (RCC) is presented. This study was based on a vehicle wiring system consisting of 110,000 ft of conventional RCC equally divided between AWG sizes 20,22, and 24 using MIL-W-81044-type wire and MIL-C-26500 circular connectors. Basic cost data were developed on a similar-sized commercial jet airplane wiring system on a previous company R&D program in which advanced wiring techniques were carried through equivalent installations on an airplane mockup; and on data developed on typical average bundles during this program. Various cost elements included were engineering labor, operations (manufacturing) labor, material costs, and cost impact on payload. Engineering labor includes design, wiring system integration, wiring diagrams and cable assembly drawings, wire installations, and other related supporting functions such as the electronic data processing for the wiring. Operations labor includes mockup, tooling and production planning, fabrication, assembly, installation, and quality control cost impact on payload is the conversion of wiring system weight variations through use of different wiring concepts to program payload benefits in terms of dollars.

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