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NASA NTRSDate not supplied

NextSTEP Appendix A Modular ECLSS Effort Lessons Learned

NASA’s Artemis program provides the first steps for earth-independent exploration starting with crewed habitats in cislunar space and progressing toward crewed landings on the lunar surface that will prepare systems and crews for the exploration of Mars. The Next Space Technology for Exploration Partnerships (NextSTEP) is a public-private partnership model that facilitates commercial development of deep space exploration capabilities in support of more extensive human spaceflight missions in and beyond cislunar space. NASA issued the original NextSTEP Broad Agency Announcement (BAA) to U.S. industry in late 2014 and issued the second BAA (NextSTEP-2) in April 2016. The first appendix under NextSTEP-2, Appendix A, focused on developing deep space habitation concepts, engineering design and development, and risk reduction efforts leading to a habitation capability in cislunar space. NASA solicited concepts to develop and refine the evolvable, modular architecture, functional allocation options, standards, and common interfaces required to enable interoperability of the aggregate system to provide long duration deep space transit habitation, specifically enhancements and testing of deep space Environmental Control and Life Support Systems (ECLSS). Collins Aerospace, formerly UTC Aerospace Systems (UTAS), was awarded a Phase 1 and subsequent Phase 2 contract to “develop concepts that group ECLS systems into logical modules maximizing the use of common components and the development of unique methods and design concepts that support in-flight maintenance and repair for future exploration systems.” This paper summarizes the work accomplished under this effort, the lessons that can be applied to development of forthcoming habitation elements, and the gaps remaining to achieve a more resilient, maintainable, repairable and adaptable system capable of installation on a wide variety of habitat platforms. A primary accomplishment of this effort is the development and maturation of a modular palletization concept to enable standard rack interfaces, post-launch outfitting, and decoupling of structural supports that withstand launch environments from those needed for lower on-orbit loads in order to reduce installed mass and repurposing of panels within the habitat. In the course of the effort, Collins assessed numerous architecture trades, including the use of condensing and noncondensing heat exchangers, the ability of modular units to accommodate various habitat volumes and thermal loading, and the most appropriate order of and timing of delivery of regenerative ECLSS hardware to orbital habitats. In addition to the modularity of hardware elements, Collins developed software approaches for distributed/modular command, control, and communication systems and innovative Bayesian fault detection and isolation techniques. Finally, the effort explored advanced maintainability and supportability concepts including the definition of maintenance units (MUs) in place of the traditional Orbital Replacement Units (ORUs), increasing parts commonality to reduce the number and type of spare parts, the use of augmented reality to guide crews during maintenance and repair procedures, and how crews would prepare for and recover from long durations of habitat dormancy. Now that the NextSTEP Modular ECLSS effort has come to a close, it’s important to identify the lessons learned and where they can be leveraged to improve NASA’s broader program of ECLSS technology development and demonstration and ultimately how they can increase the performance of future surface and orbital habitats.

NextSTEP↗
NASA NTRSDate not supplied

NextSTEP Appendix A Modular ECLSS Effort Lessons Learned

NASA’s Artemis program provides the first steps for earth-independent exploration starting with crewed habitats in cislunar space and progressing toward crewed landings on the lunar surface that will prepare systems and crews for the exploration of Mars. The Next Space Technology for Exploration Partnerships (NextSTEP) is a public-private partnership model that facilitates commercial development of deep space exploration capabilities in support of more extensive human spaceflight missions in and beyond cislunar space. NASA issued the original NextSTEP Broad Agency Announcement (BAA) to U.S. industry in late 2014 and issued the second BAA (NextSTEP-2) in April 2016. The first appendix under NextSTEP-2, Appendix A, focused on developing deep space habitation concepts, engineering design and development, and risk reduction efforts leading to a habitation capability in cislunar space. NASA solicited concepts to develop and refine the evolvable, modular architecture, functional allocation options, standards, and common interfaces required to enable interoperability of the aggregate system to provide long duration deep space transit habitation, specifically enhancements and testing of deep space Environmental Control and Life Support Systems (ECLSS). Collins Aerospace, formerly UTC Aerospace Systems (UTAS), was awarded a Phase 1 and subsequent Phase 2 contract to “develop concepts that group ECLS systems into logical modules maximizing the use of common components and the development of unique methods and design concepts that support in-flight maintenance and repair for future exploration systems.” This paper summarizes the work accomplished under this effort, the lessons that can be applied to development of forthcoming habitation elements, and the gaps remaining to achieve a more resilient, maintainable, repairable and adaptable system capable of installation on a wide variety of habitat platforms. A primary accomplishment of this effort is the development and maturation of a modular palletization concept to enable standard rack interfaces, post-launch outfitting, and decoupling of structural supports that withstand launch environments from those needed for lower on-orbit loads in order to reduce installed mass and repurposing of panels within the habitat. In the course of the effort, Collins assessed numerous architecture trades, including the use of condensing and noncondensing heat exchangers, the ability of modular units to accommodate various habitat volumes and thermal loading, and the most appropriate order of and timing of delivery of regenerative ECLSS hardware to orbital habitats. In addition to the modularity of hardware elements, Collins developed software approaches for distributed/modular command, control, and communication systems and innovative Bayesian fault detection and isolation techniques. Finally, the effort explored advanced maintainability and supportability concepts including the definition of maintenance units (MUs) in place of the traditional Orbital Replacement Units (ORUs), increasing parts commonality to reduce the number and type of spare parts, the use of augmented reality to guide crews during maintenance and repair procedures, and how crews would prepare for and recover from long durations of habitat dormancy. Now that the NextSTEP Modular ECLSS effort has come to a close, it’s important to identify the lessons learned and where they can be leveraged to improve NASA’s broader program of ECLSS technology development and demonstration and ultimately how they can increase the performance of future surface and orbital habitats.

NextSTEP↗
DOE OSTI2025

Tests of the DFT Ladder for the Fulminic Acid Challenge

Properties of the historically pivotal fulminic acid (HCNO) molecule have been computed with a panoply of 473 density functionals of all varieties, providing a snapshot of the performance of contemporary density functional theory (DFT) for a challenging chemical system. Exhaustive tabulations and statistical analyses have been carried out for geometric parameters, vibrational frequencies, barriers to linearity, and the HCN–O dissociation energy. As the DFT ladder is climbed, confusion rather than consensus ensues regarding the details of the distinctive, extremely flat H–C–N bending potential of fulminic acid and whether the equilibrium structure is linear or bent. While high-ranking DFT functionals produce the smallest errors for the HCN + O( 3 P) → HCNO reaction energy, lower rungs emerge as the best performers for many of the bond distances and harmonic vibrational frequencies. This research shows that the current DFT zoo of approximations does not constitute a transparent ladder of increasingly accurate methods that consistently converges on definitive predictions for various properties of HCNO. Additional analyses are performed on the side effects of popular dispersion corrections on the covalently bonded properties and thermochemistry of HCNO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Structurally Driven Selective Adsorption of Hydrocarbons by Metal Substitution in Isostructural Rare-Earth Metal–Organic Frameworks

The design and realization of highly selective nanoporous materials are necessary to target critical separations across industries. By leveraging pore size, pore shape, and linker functionalization, the design of nanoporous solid adsorbents will enable the rapid production of energy efficient separation materials for high-value gas mixtures. This study uses a combination of modeling, synthesis, and gas adsorption testing to investigate a new class of small-pore isostructural rare-earth (RE) 2,5-dihydroxyterephthalic acid (DOBDC) metal–organic frameworks (MOFs) (RE: Pr-, Gd-, Er-, Yb; DOBDC = 2,5-dihydroxyterephthalic acid) and their adsorption selectivity for acetylene/ethylene mixtures. Density functional theory simulations identified that selective binding of acetylene over ethylene in the Gd-, Er-, and Yb-DOBDC MOFs was due to hydrogen-bonding between acetylene and the linker hydroxyl. Adsorption experiments validated the computational results by identifying mechanisms that control the acetylene/ethylene adsorption selectivity and high acetylene adsorption. Furthermore, dynamic column breakthrough experiments with the Gd-DOBDC MOF validated the simulations and indicated that ethylene can be separated from acetylene in a mixture containing 1 vol % acetylene and 39 vol % ethylene (balance argon). In conclusion, the results highlight the complexity of gas binding in functional porous materials and how combining modeling and experiment enables a fundamental understanding of gas–framework interactions that can be leveraged for the design of future separation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Integrated Advanced Microwave Sounding Unit-A(AMSU-A). Performance Verification Report: METSAT AMSU-A2 Receiver Assembly, (P/N 1356441-1, S.N F04) S/N 107

The AMSU-A receiver subsystem comprises two separated receiver assemblies; AMSU-Al and AMSU-A2(PN1356441-1). The AMSU-A1 receiver contains 13 channels and the AMSU-A2 receiver 2 channels. The AMSU-AL receiver assembly is further divided into two parts; AMSU-A 1-1 (P/N 1356429-1) and AMSU-A 1-2 (P/N 1356409-1), which contain 9 and 4 channels, respectively. The AMSU-A receiver subsystem stands in between the antenna and signal processing subsystems of the AMSU-A instrument and comprises the RF and IF components from RF isolators to IF attenuators. It receives the RF signals from the antenna subsystem, down-converts the RF signals to IF signals, amplifies and defines the IF signals to proper power level and frequency bandwidth as specified for each channel, and inputs the IF signals to the signal processing subsystem. The test reports for the METSAT AMSU-A receiver subsystem are prepared separately for the A1 and A2 receivers so that each receiver stands alone during integration of instruments into the spacecraft. This test report presents the test data of the METSAT AMSU-A2 Flight Model No.4 (FM4) receiver. The tests are performed per the Acceptance Test Procedure for the AMSU-A Receiver Subsystem, AE-26002/6A. The functional performance tests are conducted either at the component or subsystem level. While the component-level tests are performed over the entire operating temperature range predicted by thermal analysis, the subsystem-level tests are conducted at ambient temperature only.

Kapper, R.↗
DOE OSTI2025

Vulcan Test Platform: Demonstrating the Data Center as a Flexible Grid Asset

Explosive data center demand is outpacing grid infrastructure development. AI workloads and hyperscale cloud growth are creating unprecedented power requirements, while traditional grid expansion faces multi-year development timelines, regulatory hurdles, and decarbonization challenges. Sidewalk Infrastructure Partners recognized this impending crisis years ago and founded Verrus to develop an innovative solution: data centers that function as grid assets rather than passive loads. The Verrus approach integrates proprietary grid-aware controls with battery energy storage systems (BESS) in a medium-voltage architecture that delivers three critical capabilities: Fast-responding demand flexibility that can service requests from the utility within 10 seconds, Uninterrupted transition to islanded operation during grid disturbances, Continuous uptime assurance while maintaining all customer service level commitments Through Verrus' strategic partnership with the National Renewable Energy Laboratory (NREL), we validated these capabilities on Vulcan, a 70 MW utility-scale test platform powered by NREL's ARIES Virtual Emulation Environment. This deployment-ready technology has successfully demonstrated that Verrus data centers can deliver meaningful grid services while maintaining mission-critical reliability. This technical report outlines the design, methodology, and results of this emulated deployment, demonstrating that data centers can play a pivotal role in enhancing grid flexibility and reliability, without sacrificing service level guarantees.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1998

Applying Space Technology to Enhance Control of an Artificial Arm for Children and Adults With Amputations

The first single function myoelectric prosthetic hand was introduced in the 1960's. This hand was controlled by the electric fields generated by muscle contractions in the residual limb of the amputee user. Electrodes and amplifiers, embedded in the prosthetic socket, measured these electric fields across the skin, which increase in amplitude as the individual contracts their muscle. When the myoelectric signal reached a certain threshold amplitude, the control unit activated a motor which opened or closed a hand-like prosthetic terminal device with a pincher grip. Late in the 1990's, little has changed. Most current myoelectric prostheses still operate in this same, single-function way. To better understand the limitations of the current single-function myoelectric hand and the needs of those who use them, The Institute for Rehabilitation and Research (TIRR), sponsored by the National Institutes of Health (NUH), surveyed approximately 2,500 individuals with upper limb loss [1]. When asked to identify specific features of their current myoelectric prostheses that needed improvement, the survey respondents overwhelmingly identified the lack of wrist and finger movement, as well as poor control capability. However, simply building a mechanism with individual finger and wrist motion is not enough. In the 1960's and 1970's, engineers built a number of more dexterous prosthetic hands. Unfortunately, these were rejected during clinical trials due to a difficult and distracting control interface. The goal of this project, "Applying Space Technology to Enhance Control of an Artificial Arm for Children and Adults with Amputations," was to lay the foundation for a multi-function, intuitive myoelectric control system which requires no conscious thought to move the hand. We built an extensive myoelectric signal database for six motions from ten amputee volunteers, We also tested a control system based on new artificial intelligence techniques on the data from two of these subjects. This data is available to anyone doing myoelectric control research. Its availability is an important contribution to the prosthetics research community, as many researchers do not have access to amputee subjects. Since we collected myoelectric data from subjects' sound arms as well as their residual arms, this database will also prove useful to virtual reality and robotics researchers who want to explore myoelectric-based interfaces between any user and a machine. Currently, one small company (Intelligenta, Inc.) and one university (University of New Brunswick, Canada) are using this myoelectric database under other funding to develop multifunction control systems for prostheses. A prosthetics manufacturer (Liberty Technology, Inc.) is making plans to incorporate the results of their work into an artificial hand capable of several different movements to provide functionality only dreamed of by current myoelectric users. Methods Six adults and four children, all with unilateral, below-elbow amputations served as subjects. Five of the adults (3 male, 2 female, average age 34 years) had amputations due to traumatic injury, while one adult (female, age 32 years) and the four children (3 male, 1 female, average age 13 years) had congenital (i.e. from birth) limb deficiencies.

Atkins, Diane J.↗
NASA NTRS2013

Goal-Function Tree Modeling for Systems Engineering and Fault Management

The draft NASA Fault Management (FM) Handbook (2012) states that Fault Management (FM) is a "part of systems engineering", and that it "demands a system-level perspective" (NASAHDBK- 1002, 7). What, exactly, is the relationship between systems engineering and FM? To NASA, systems engineering (SE) is "the art and science of developing an operable system capable of meeting requirements within often opposed constraints" (NASA/SP-2007-6105, 3). Systems engineering starts with the elucidation and development of requirements, which set the goals that the system is to achieve. To achieve these goals, the systems engineer typically defines functions, and the functions in turn are the basis for design trades to determine the best means to perform the functions. System Health Management (SHM), by contrast, defines "the capabilities of a system that preserve the system's ability to function as intended" (Johnson et al., 2011, 3). Fault Management, in turn, is the operational subset of SHM, which detects current or future failures, and takes operational measures to prevent or respond to these failures. Failure, in turn, is the "unacceptable performance of intended function." (Johnson 2011, 605) Thus the relationship of SE to FM is that SE defines the functions and the design to perform those functions to meet system goals and requirements, while FM detects the inability to perform those functions and takes action. SHM and FM are in essence "the dark side" of SE. For every function to be performed (SE), there is the possibility that it is not successfully performed (SHM); FM defines the means to operationally detect and respond to this lack of success. We can also describe this in terms of goals: for every goal to be achieved, there is the possibility that it is not achieved; FM defines the means to operationally detect and respond to this inability to achieve the goal. This brief description of relationships between SE, SHM, and FM provide hints to a modeling approach to provide formal connectivity between the nominal (SE), and off-nominal (SHM and FM) aspects of functions and designs. This paper describes a formal modeling approach to the initial phases of the development process that integrates the nominal and off-nominal perspectives in a model that unites SE goals and functions of with the failure to achieve goals and functions (SHM/FM). This methodology and corresponding model, known as a Goal-Function Tree (GFT), provides a means to represent, decompose, and elaborate system goals and functions in a rigorous manner that connects directly to design through use of state variables that translate natural language requirements and goals into logical-physical state language. The state variable-based approach also provides the means to directly connect FM to the design, by specifying the range in which state variables must be controlled to achieve goals, and conversely, the failures that exist if system behavior go out-of-range. This in turn allows for the systems engineers and SHM/FM engineers to determine which state variables to monitor, and what action(s) to take should the system fail to achieve that goal. In sum, the GFT representation provides a unified approach to early-phase SE and FM development. This representation and methodology has been successfully developed and implemented using Systems Modeling Language (SysML) on the NASA Space Launch System (SLS) Program. It enabled early design trade studies of failure detection coverage to ensure complete detection coverage of all crew-threatening failures. The representation maps directly both to FM algorithm designs, and to failure scenario definitions needed for design analysis and testing. The GFT representation provided the basis for mapping of abort triggers into scenarios, both needed for initial, and successful quantitative analyses of abort effectiveness (detection and response to crew-threatening events).

Patterson, Jonathan D.↗
NASA NTRS2008

GPS Metric Tracking Unit

As Global Positioning Satellite (GPS) applications become more prevalent for land- and air-based vehicles, GPS applications for space vehicles will also increase. The Applied Technology Directorate of Kennedy Space Center (KSC) has developed a lightweight, low-cost GPS Metric Tracking Unit (GMTU), the first of two steps in developing a lightweight, low-cost Space-Based Tracking and Command Subsystem (STACS) designed to meet Range Safety's link margin and latency requirements for vehicle command and telemetry data. The goals of STACS are to improve Range Safety operations and expand tracking capabilities for space vehicles. STACS will track the vehicle, receive commands, and send telemetry data through the space-based asset, which will dramatically reduce dependence on ground-based assets. The other step was the Low-Cost Tracking and Data Relay Satellite System (TDRSS) Transceiver (LCT2), developed by the Wallops Flight Facility (WFF), which allows the vehicle to communicate with a geosynchronous relay satellite. Although the GMTU and LCT2 were independently implemented and tested, the design collaboration of KSC and WFF engineers allowed GMTU and LCT2 to be integrated into one enclosure, leading to the final STACS. In operation, GMTU needs only a radio frequency (RF) input from a GPS antenna and outputs position and velocity data to the vehicle through a serial or pulse code modulation (PCM) interface. GMTU includes one commercial GPS receiver board and a custom board, the Command and Telemetry Processor (CTP) developed by KSC. The CTP design is based on a field-programmable gate array (FPGA) with embedded processors to support GPS functions.

Source record↗
DOE OSTI2025

Graphene Oxide Nanoribbons for High Early-Strength Cement Concrete

Longitudinal oxidative unzipping of the outer walls of multiwalled carbon nanotubes (MWCNTs) yields graphene oxide nanoribbons (GONRs), which exhibit greater open surface area and functional edge content than MWCNTs. This paper presents a study of the nano-amendment of Portland cement concrete with GONRs in concentrations between 0.05% (in weight of cement, wt%) and 0.0005 wt%, thus up to two orders of magnitude lower than that reported as lower-bound in the archival literature. The dispersibility in aqueous solution as a function of GONR concentration and oxygen weight content (O%) was assessed through dynamic light scattering (DLS) and zeta potential analysis. The results indicated that less effective suspensions were obtained for 0.05 wt% of GONRs and 22.7 O%. Therefore, GONR water suspensions with 30-40% O% were used to manufacture 50 mm × 100 mm cylindrical concrete specimens. After 7 days of curing, results from uniaxial compression tests using four specimens per configuration (MWCNT concentration and O%) showed that the incorporation of GONRs resulted in an average increase in compressive strength up to 45%. Consistent with the DLS and compression test results, SEM micrographs showed well-dispersed GONRs together with accelerated and preferential formation of calcium silicate hydrates (C-S-H) for all GONR concentrations. The results indicate, for the first time, that the incorporation of very small concentrations (as low as 0.0005 wt%) of well-dispersed GONR amendments can significantly enhance the early-age concrete strength. However, such enhancement became insignificant after 28 days of curing.

cement↗
NASA NTRS2017

NASA's Advanced Solar Sail Propulsion System for Low-Cost Deep Space Exploration and Science Missions that Use High Performance Rollable Composite Booms

Several low-cost solar sail technology demonstrator missions are under development in the United States. However, the mass saving derived benefits that composites can offer to such a mass critical spacecraft architecture have not been realized yet. This is due to the lack of suitable composite booms that can fit inside CubeSat platforms and ultimately be readily scalable to much larger sizes, where they can fully optimize their use. With this aim, a new effort focused at developing scalable rollable composite booms for solar sails and other deployable structures has begun. Seven meter booms used to deploy a 90 m2 class solar sail that can fit inside a 6U CubeSat have already been developed. The NASA road map to low-cost solar sail capability demonstration envisioned, consists of increasing the size of these composite booms to enable sailcrafts with a reflective area of up to 2000 m2 housed aboard small satellite platforms. This paper presents a solar sail system initially conceived to serve as a risk reduction alternative to Near Earth Asteroid (NEA) Scout's baseline design but that has recently been slightly redesigned and proposed for follow-on missions. The features of the booms and various deployment mechanisms for the booms and sail, as well as ground support equipment used during testing, are introduced. The results of structural analyses predict the performance of the system under microgravity conditions. Finally, the results of the functional and environmental testing campaign carried out are shown.

Fernandez, Juan M.↗
DOE OSTI2024

Advanced Functional Membranes for Noble Gas Management: Fabrication and Testing of Membranes on Porous Support

We selected several porous materials including PNW-24, CC3, SAPO-34, SAPO-56 and PNW-6, as the basis for fabricating membranes for Kr/Xe separation. Initially, we synthesized powder samples of the candidates and confirmed their crystallinity and morphology with X-ray diffraction and microscopy. In the case of PNW-24 and PNW-6, we further confirmed its Xe selectivity through Xe and Kr adsorption experiments, while we relied on literature reports for CC3, SAPO-34 and SAPO-56. We subsequently proceeded to fabricate membranes on porous alumina supports using techniques such as seeded-assisted secondary growth, in-situ growth and solution-processed method. PXRD on the membranes verified that the structures were well-grown on the surface of alumina support, while SEM provided visual confirmation of particle morphology. Importantly, defects were not visually observed in the fabricated membranes, which was further verified with pressure retention tests. We analyzed the separation performance of the synthesized membranes using a dilute gas mixture comprising of xenon, krypton and argon. We focused on PNW-6 to optimize the synthesis reaction time and study the effects of time on gas separation. While more research is necessary to reach a comprehensive conclusion, in alignment with our milestones, we have successfully achieved our goals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Strain‐Driven Stabilization of a Room‐Temperature Chiral Multiferroic with Coupled Ferroaxial and Ferroelectric Order

Noncollinear ferroic materials are sought after as testbeds to explore the intimate connections between topology and symmetry, which result in electronic, optical, and magnetic functionalities not observed in collinear ferroic materials. For example, ferroaxial materials have rotational structural distortions that break mirror symmetry and induce chirality. When ferroaxial order is coupled with ferroelectricity arising from a broken inversion symmetry, it offers the prospect of electric-field-control of the ferroaxial distortions and opens up new tunable functionalities. However, chiral multiferroics, especially ones stable at room temperature, are rare. A strain-stabilized, room-temperature chiral multiferroic phase in single crystals of BaTiS 3 is reported here. Using first-principles calculations, the stabilization of this multiferroic phase having P6 3 space group for biaxial tensile strains exceeding 1.5% applied on the basal ab-plane of the room temperature P6 3 cm phase of BaTiS 3 is predicted. The chiral multiferroic phase is characterized by rotational distortions of TiS 6 octahedra around the long c-axis and polar displacement of Ti atoms along the c-axis. Furthermore, the ferroaxial and ferroelectric distortions and their domains in P6 3 -BaTiS 3 are directly resolved using atomic resolution scanning transmission electron microscopy. Landau-based phenomenological modeling predicts a strong coupling between the ferroelectric and the ferroaxial order making P6 3 -BaTiS 3 an attractive test bed for achieving electric-field-control of chirality.

Chalcogenide↗
DOE OSTI2025

Direct Deoxygenation of Phenol over Fe-Based Bimetallic Surfaces Using On-the-Fly Surrogate Models

We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3 times speedup compared to conventional density functional theory calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pure Fe(110) and surfaces modified with Co and Ni in both top and subsurface layers. Our results show that subsurface Co and Ni substitutions preserve favorable thermodynamics and kinetics for both C–O bond cleavage and C–H bond formation, comparable to those on the pure Fe(110) surface. In contrast, top-layer substitutions generally increase the C–O bond cleavage barrier, render the step endothermic, and result in significantly higher reverse reaction rates, making DDO unfavorable on these surfaces. This work demonstrates the effectiveness of GRR-accelerated transition state searches for complex surface reactions and provides insights into rational design of bimetallic catalysts for selective deoxygenation.

Aromatic compounds↗
DOE OSTI2025

Technical Assessment of the Application of Digital Twin and Prognostic Tools for Condition Monitoring

This report was prepared for the U.S. Nuclear Regulatory Commission (NRC) to present use cases of the application of advanced technologies toward meeting the current and future regulatory requirements for maintenance and condition monitoring of structures, systems, and components (SSCs). The advanced technologies considered in this work, collectively referred to as digital twin (DT) technologies, are advanced sensors and instrumentation, data analytics, machine learning and artificial intelligence (ML/AI), and physics-based models. The report presents two use cases of reactor coolant pumps (RCPs) and heat pipes in nuclear power plants (NPPs) with technical and regulatory considerations and opportunities in using advanced technologies for conditional monitoring. Key findings from the exploration of these considerations are as follows: - Uncertainties in sensor data and model predictions must be rigorously addressed through validation and verification processes - Regulatory compliance is paramount, necessitating data driven models to be developed in line with existing codes and standards, as well as considering potential future guidelines for advanced reactors - Explainability and transparency in ML/AI models are essential for developing operator trust and regulatory review, including methods that enhance the interpretability of complex data-driven predictions - Condition monitoring programs must be evaluated for their effectiveness in reducing maintenance-preventable function failures (MPFF) and aligning with plant performance criteria - The deployment of advanced technologies for condition monitoring could lead to a transition from periodic to continuous monitoring, thereby optimizing maintenance schedules - Collaborative efforts between industry stakeholders, regulatory bodies, and technology developers are crucial for the successful adoption of advanced technologies for condition monitoring systems in nuclear facilities In summary, the introduction of advanced technologies into condition monitoring programs represents a significant leap forward in the domain of NPP maintenance. By harnessing the capabilities of advanced sensors, data analytics, and ML/AI, NPP operators can transition from a time-based to a condition-based maintenance approach. This shift can potentially enhance the reliability and safety of critical plant components while optimizing maintenance efforts and minimizing unnecessary outages. The NRC is continuing to explore the regulatory aspects of advanced technologies as part of inservice inspection and inservice testing (ISI and IST) programs by pursuing additional research in this technical area.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

One-Component, Vinyl-Functional Fluorosilicone Pastes for Direct Ink Write Additive Manufacturing

In this study, one-component (“all-in-one”) fluorosilicone pastes specifically designed for application in direct ink write (DIW) additive manufacturing (AM) have been developed. They consist of vinyl-functional, methyltrifluoropropyl-containing (MeTfpS) terpolysiloxane base polymer(s), hydrosilyl-functional cross-linker(s), UV-sensitive hydrosilylation catalyst, thixotropic additive, and trimethylsilylated fumed silica filler, with other additives that are optional. Their base polymers were completely amorphous and linear, with molecular weights (M n ) ranging from approximately 7000 to 50,000 and specifically targeted for the viscosity range ideal for DIW. These polymers were prepared by anionic ring-opening polymerizations (A-ROP) of appropriate mixtures of cyclic siloxanes initiated by oligomeric, difunctional tetramethylammonium silanolate in the presence of a difunctional tetramethyldivinyldisiloxane end-blocker and molecular weight regulator. Two series of these terpolymers were prepared: one containing 5 mol % MeTfpS repeat units but varying degrees of polymerization (DP) from 80 to 600 and the other containing 5, 10, and 15 mol % MeTfpS at a constant DP of 600. All polymers contained mostly random distributions of MeTfpS repeat units. The pastes were prepared by speed-mixing, ready for use in DIW, they exhibited ideal thixotropy, long-term (over a year) rheological stability, and can be quickly (within seconds) and permanently cured by room-temperature, UV-activated hydrosilylation in air. The resulting elastomers showed base polymer molecular weight- and composition-dependent stress-induced crystallization (SIC) at higher molecular weights and lower trifluoropropyl contents and tunable Shore A hardness (30A–40A) typical for soft polysiloxane rubbers. Preliminary DIW tests indicated excellent printability with high precision of printed shapes and clearly present these one-component pastes as prime candidates for simple and practical printing of silicone elastomer objects.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Thermoelectric heating and cooling–integrated dishwasher with thermal energy storage

Household dishwashers must address several performance goals: maximize washing and drying performance, while minimizing cycle duration, energy consumption, and water consumption. This study develops and examines a novel thermoelectric heating and cooling (TEHC) system with thermal energy storage applied to a household dishwasher (DW), aiming to improve the energy and drying performance of a commercially-available dishwasher while maintaining its washing performance, water consumption, and cycle duration. Experimental testing conducted on the novel TEHC-DW system demonstrates an 8.7% reduction in total energy consumption, lowering the per-cycle usage to 0.952 kWh, and a 40% reduction in energy consumption for internal water heating. The novel TEHC-DW system also demonstrates better drying performance, shortening the drying time by 42% to reach the same remaining moisture content as a commercially-available system. In addition, a resistance-capacitance network model is developed that predicts total drying time, total energy consumption, and the highest temperature reached in the tub (53.4 °C). The model accuracy is validated with experimental data (within ±1 K), and the model functions as a design tool via a parametric study to evaluate the next-generation design and the effect of the number of thermoelectric modules and thermoelectric driving force (i.e., current). Overall, this study demonstrates the potential for TEHC technology to improve energy efficiency and drying performance in household dishwashers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗