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DOE OSTI2021

Emerged Metallicity in Molecular Ferromagnetic Wires

Supramolecular engineering bridges molecular assembly with macromolecular charge-transfer salts, promising the design to construct supramolecular architectures that integrate cooperative properties difficult or impossible to find in conventional lattices. Here, we report the crystal engineering design and kinetic growth of one-dimensional supramolecular wires composed of bis(ethylenedithio)tetrathiafulvalene (ET + ) cation and polymeric Cu[N(CN) 2 ] 2 – anion. A bulk ferromagnetic order is discovered for filling up the gap where strong ferromagnetism is missing in such ET molecule-based charge-transfer salts. Metallicity is induced by electric current from the semiconducting wire, which is attributed to strain effect by tuning its close molecular contact. This structural feature is evidenced through the combination of various mechanistic spectroscopic studies. Further, electric dipole is established from the close molecular contacts and is suggestive to stabilize ferromagnetic spin interaction through anions bridging spin sites. The breakthrough shown here provides a pathway to explore low-dimensional supramolecular materials exhibiting strong electron correlation, metallicity, and ferromagnetism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

NetDuid

SAND2025-00238O The NetDuid library is a software tool that can manage and manipulate DHCP Unique Identifiers (DUIDs) in .NET applications. It simplifies the process of working with DUIDs by offering functionalities such as parsing, constructing, comparing, checking equality, and formatting DUIDs. The library supports various types of DUIDs, making it easier for developers to handle these identifiers in their applications. The program fills a gap in the .NET/C# ecosystem by providing a specialized tool for managing DHCP Unique Identifiers, offering a straightforward and efficient solution for developers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Engelhardt, Robert↗

DOE OSTI2020

Multizone Residential HVAC Modeling

This report will evaluate several building physics modeling tools to determine which are best suited for developing next-generation zoning technology. These modeling tools will be evaluated for their ability to predict room-level thermal loads, HVAC system operation, temperature and comfort predictions, and scalability. Any gaps in the existing tools will be identified and a path forward will be discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Techno-Economic Analysis: Best Practices and Assessment Tools

A team at Sandia National Laboratories (SNL) recognized the growing need to maintain and organize the internal community of Techno - Economic Assessment analysts at the lab . To meet this need, an internal core team identified a working group of experienced, new, and future analysts to: 1) document TEA best practices; 2) identify existing resources at Sandia and elsewhere; and 3) identify gaps in our existing capabilities . Sandia has a long history of using techno - economic analyses to evaluate various technologies , including consideration of system resilience . Expanding our TEA capabilities will provide a rigorous basis for evaluating science, engineering and technology - oriented projects, allowing Sandia programs to quantify the impact of targeted research and development (R&D), and improving Sandia's competitiveness for external funding options . Developing this working group reaffirms the successful use of TEA and related techniques when evaluating the impact of R&D investments, proposed work, and internal approaches to leverage deep technical and robust, business - oriented insights . The main findings of this effort demonstrated the high - impact TEA has on future cost, adoption for applications and impact metric forecasting insights via key past exemplar applied techniques in a broad technology application space . Recommendations from this effort include maintaining and growing the best practices approaches when applying TEA, appreciating the tools (and their limits) from other national laboratories and the academic community, and finally a recognition that more proposals and R&D investment decision s locally at Sandia , and more broadly in the research community from funding agencies , require TEA approaches to justify and support well thought - out project planning.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

AI-Enabled Discovery and Physics-Based Optimization of Energy Efficient Processing Strategies for Advanced Turbine Alloys (Final Technical Report)

In this project, the multi-organizational team of academic and industrial researchers from the University of Kentucky an aerospace and energy generation OEM partner has leveraged novel Digital Process Twin (DPT) models of process/structure interactions (i.e., process-induced surface integrity) to advance a paradigm of fully integrated computational materials engineering (ICME). Using efficient process models as the core of a digital process simulator for a reinforcement learning algorithm, the team has integrated industrial data and metrics of structure/performance/energy relationships and manufacturing-related energy metrics to optimize dynamic processing parameters for significantly improved life-cycle energy efficiency of advanced γ-TiAl low-pressure turbine (LPT) alloys, as indicated by a set of design relevant parameters (e.g., residual stresses and scrap rate). The key objective and anticipated outcome of the project was at least a 10% reduction in life-cycle embodied energy for a recently developed, γ-TiAl low-pressure turbine (LPT) alloy and nickel-based superalloy Inconel 718, through the adoption of the proposed AI-enabled process optimization approach. The final project outcomes significantly exceeded this original target, realizing manufacturing-related energy efficiency improvements of more than 130% for TiAl and up to 80% for Inconel 718. Rather than following the prevailing and highly inefficient empirical paradigm, the proposed study demonstrated the feasibility of adopting a digital, physics-based process design and optimization paradigm. The recurring need for manual intervention, rework, reinspection causes significant production bottlenecks and unnecessary expense associated with delivering the requisite component quality. The OEM partner, and turbine industry in general, expect to reap significant cost and resource savings if an AI-optimized set of parameters can be applied to specific machining operations. The technical scope of the proposed project involved the paving of a realistic path towards model-based and AI-enabled Integrated Computational Materials Engineering (ICME), and away from inefficient empirical process optimization and legacy manufacturing practices, which are no longer able to efficiently process novel high-performance turbine alloy materials. The project team will address the fundamental knowledge gap that currently exists within the ICME paradigm with respect to the process/structure/performance/energy impacts of finishing processes. While significant resources have been devoted to the ‘early stages’ of manufacturing, such as alloy design, primary and secondary processing, finishing processes have not been adequately integrated within ICME. To provide an actionable path towards model-based finishing process design (e.g., machining, burnishing, grinding, polishing), we will employ a novel AI-enabled process optimization paradigm, based on a computationally efficient, physics-based process simulator. Through limited experimental work to calibrate and validate our process simulator model via an advanced in-situ characterization technique and process optimization via reinforcement learning, the project will seek to demonstrate a viable alternative to the inefficient ‘legacy’ processing strategies, empirical testing and broad scope machining learning approaches, all of which fail to adequately consider complex process physics. The project team has identified an intermetallic γ-TiAl LPT alloy, which is currently being used as part of the OEM partner’s advanced gas turbine designs. This particular alloy poses significant manufacturing challenges during finishing operations, which limit the degree to which the current turbine design can be manufactured in an energy- and cost-efficient manner. Empirical testing and numerical modeling efforts to optimize processing parameters for γ-TiAl have not been able to resolve these manufacturing challenges, so the proposed physics-based AI-enabled optimization technology would offer a truly novel and transformative capability. The multi-organizational team of academic and industry experts from the UKY and the OEM partner will work together closely to demonstrate the analytical and experimental critical function and characteristic proof of concept of this novel approach.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

Hydrodynamic Calculation of a Thrust Bearing with an Adapted Profile

Hydrodynamic models are considered for thrust bearings with a profile adapted to the frictional conditions, when operating in incompressible electrically conducting lubricant. The basic operational characteristics of a bearing, with deformation of the frictional pair’s supporting system, are derived on the basis of the equation of motion of the material in the working gap, the continuity equation, and the Darcy and Lamé equations for a thin layer.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Heat Transfer and Flow on the Squealer Tip of a Gas Turbine Blade

Experimental investigations are performed to measure the detailed heat transfer coefficient and static pressure distributions on the squealer tip of a gas turbine blade in a five-bladed stationary linear cascade. The blade is a 2-dimensional model of a modem first stage gas turbine rotor blade with a blade tip profile of a GE-E(sup 3) aircraft gas turbine engine rotor blade. A squealer (recessed) tip with a 3.77% recess is considered here. The data on the squealer tip are also compared with a flat tip case. All measurements are made at three different tip gap clearances of about 1%, 1.5%, and 2.5% of the blade span. Two different turbulence intensities of 6.1% and 9.7% at the cascade inlet are also considered for heat transfer measurements. Static pressure measurements are made in the mid-span and near-tip regions, as well as on the shroud surface opposite to the blade tip surface. The flow condition in the test cascade corresponds to an overall pressure ratio of 1.32 and an exit Reynolds number based on the axial chord of 1.1 x 10(exp 6). A transient liquid crystal technique is used to measure the heat transfer coefficients. Results show that the heat transfer coefficient on the cavity surface and rim increases with an increase in tip clearance. 'Me heat transfer coefficient on the rim is higher than the cavity surface. The cavity surface has a higher heat transfer coefficient near the leading edge region than the trailing edge region. The heat transfer coefficient on the pressure side rim and trailing edge region is higher at a higher turbulence intensity level of 9.7% over 6.1 % case. However, no significant difference in local heat transfer coefficient is observed inside the cavity and the suction side rim for the two turbulence intensities. The squealer tip blade provides a lower overall heat transfer coefficient when compared to the flat tip blade.

Azad, Gm S.↗

NASA NTRS1947

Development of Inboard Nacelle for the XB-36 Airplane

A series of investigations of several 1/14-scale models of an inboard nacelle for the XB-36 airplane was made in the Langley two-dimensional low-turbulence tunnels. The purpose of these investigations was to develop a low-drag wing-nacelle pusher combination which incorporated an internal air-flow system. As a result of these investigations, a nacelle was developed which had external drag coefficients considerably lower than the original basic form with the external nacelle drag approximately one-half to two-thirds of those of conventional tractor designs. The largest reductions in drag resulted from sealing the gaps between the wing flaps and nacelle, reducing the thickness of the nacelle training-edge lip, and bringing the under-wing air inlet to the wing leading edge. It was found that without the engine cooling fan adequate cooling air would be available for all conditions of flight except for cruise and climb at 40,000 feet. Sufficient oil cooling at an altitude of 40,000 feet may be obtained by the use of flap-type exit doors.

Nuber, Robert J.↗

NASA NTRS2019

Long-Lived In-Situ Solar System Explorer (LLISSE): Potential Contributions to the Next Decade of Solar System Exploration

Venus, while having similar size, mass, and location in the solar system to Earth, varies from Earth in many ways and holds many scientific mysteries despite many missions that have focused on it in the past. Primary differences include Venus' climate, atmosphere, and perhaps most notably the extreme surface conditions. The layers of sulfuric acid clouds and high pressure CO2 laden atmosphere make remote sensing at Venus much less effective than at other solar system bodies. In addition, surface conditions present formidable engineering challenges due to the high temperature, pressure, and reactive chemistry. To date, landed missions have not been able to last more than about 2 hours on the surface [1]. This has resulted in significant knowledge gaps about the surface conditions of this important body in the solar system. The science community has effectively no in-situ temporal data at the Venus surface. These data are critical for the development of a thorough understanding of Venus' weather and the processes by which chemical species interact with each other and are transported throughout the atmospheric column. The LLISSE platform, and its variants, are a foundation for future mission concepts based on a core set of long-lived technologies providing significant new science as well as demonstrating new technical capabilities. After completion, LLISSE has the potential to be a complimentary element to missions going to Venus and would provide unique and important science to missions whether they be orbiters or short duration landers.

Kremic, Tibor↗

NASA NTRS2019

Long-Lived In-Situ Solar System Explorer (LLISSE)

Kremic, Tibor↗

DOE OSTI2018

Waveguide module comprising a first plate with a waveguide channel and a second plate with a raised portion in which a sealing layer is forced into the waveguide channel by the raised portion

The various technologies presented herein relate to utilizing a sealing layer of malleable material to seal gaps, etc., at a joint between edges of a waveguide channel formed in a first plate and a surface of a clamping plate. A compression pad is included in the surface of the clamping plate and is dimensioned such that the upper surface of the pad is less than the area of the waveguide channel opening on the first plate. The sealing layer is placed between the waveguide plate and the clamping plate, and during assembly of the waveguide module, the compression pad deforms a portion of the sealing layer such that it ingresses into the waveguide channel opening. Deformation of the sealing layer results in the gaps, etc., to be filled, improving the operational integrity of the joint.

42 ENGINEERING↗

DOE OSTI2020

Vertically oriented seal system for gas turbine vanes

A seal system for a gas turbine vane includes a first seal layer and an optional second seal layer. Each first seal layer includes multiple seal segments, each of which includes a first leg, a second leg, and an intermediate portion between the first leg and the second leg. Each adjacent pair of seal segments of the first seal is separated by a gap. The seal segments define a substantially complete perimeter of a seal slot in which the first seal is installed. The second seal, which is also segmented, may or may not define the substantially complete perimeter of the seal slot. If present, the second seal segments are circumferentially offset from the first seal segments to block the gaps between the first seal segments. A turbine vane including the present seal system is also disclosed.

42 ENGINEERING↗

DOE OSTI2023

Grand Challenges for Small Wind: Results of the European Academy Study

While modern wind turbines have become by far the largest rotating machines on Earth with further upscaling planned for the future, a renewed interest in small wind turbines (SWTs) is fostering energy transition and smart grid development. Small machines have traditionally not received the same level of aerodynamic refinement as their larger counterparts, resulting in lower efficiency, lower capacity factors, and therefore a higher cost of energy. In an effort to reduce this gap, research programs are developing worldwide. With this background, the scope of the present study is 2-fold. In the first part of this paper, an overview of the current status of the technology is presented in terms of technical maturity, diffusion, and cost. The second part of the study proposes five grand challenges that are thought to be key to fostering the development of small wind turbine technology in the near future, i.e. (1) improving energy conversion of modern SWTs through better design and control, especially in the case of turbulent wind; (2) better predicting long-term turbine performance with limited resource measurements and proving reliability; (3) improving the economic viability of small wind energy; (4) facilitating the contribution of SWTs to the energy demand and electrical system integration; (5) fostering engagement, social acceptance, and deployment for global distributed wind markets. To tackle these challenges, a series of unknowns and gaps are first identified and discussed. Based on them, improvement areas are suggested, for which 10 key enabling actions are finally proposed.

ENGINEERING,WIND ENERGY↗

DOE OSTI2024

Cybersecurity Considerations for Emerging Energy Technologies

AI, cloud computing, post-quantum cryptography, zero-trust architectures, microgrids, and virtual power plants. What do these things have in common? They are all emerging technologies in the clean energy space that will be a critical part of grid modernization efforts. As we work towards clean energy and decarbonization targets, these technologies, developed to solve real-world problems, will help us reach goals and achieve new efficiencies as the paradigm of grid operation shifts. However, there are growing concerns about the cybersecurity risks associated with these trending topics as they are used in critical infrastructure applications. This talk will cover gaps, challenges, and opportunities for the secure implementation of grid modernization solutions and novel energy applications of state-of-the-art networking and communications. Proactive risk mitigation strategies, including the application of cyber-informed engineering, will be discussed. Practical applications of these techniques will help provide countermeasures to the impact of cyberattacks on critical infrastructure technologies in a new, digitized grid landscape.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

NASA Rotating Detonation Rocket Engine Concept Development Status & Scope

This presentation is a program update for the members of the JANNAF RDRE Panel. There is no technical content. A list of NASA sponsored projects is provided, along with the motivation for NASA’s involvement in the development of this type of propulsion system, and key technology gaps that need to be addressed.

Propulsion↗

DOE OSTI2025

Scaling of energy delivered through an electrostatic discharge to a small series load

We study the energy delivered through a small-resistance series “victim” load during electrostatic discharge events in air. For gap lengths over 1 mm, the fraction of the stored energy delivered is mostly gap-length independent, with a slight decrease at larger gaps due to electrode geometry. The energy to the victim scales linearly with circuit capacitance and victim load resistance but is not strongly dependent on circuit inductance. This scaling leads to a simple approach to predicting the maximum energy that will be delivered to a series resistance for the case where the victim load resistance is lower than the spark resistance.

42 ENGINEERING↗

NASA NTRS2012

Space Launch System Accelerated Booster Development Cycle

With the retirement of the Space Shuttle, NASA is seeking to reinvigorate the national space program and recapture the public s interest in human space exploration by developing missions to the Moon, near-earth asteroids, Lagrange points, Mars, and beyond. The would-be successor to the Space Shuttle, NASA s Constellation Program, planned to take humans back to the Moon by 2020, but due to budgetary constraints was cancelled in 2010 in search of a more "affordable, sustainable, and realistic" concept2. Following a number of studies, the much anticipated Space Launch System (SLS) was unveiled in September of 2011. The SLS core architecture consists of a cryogenic first stage with five Space Shuttle Main Engines (SSMEs), and a cryogenic second stage using a new J-2X engine3. The baseline configuration employs two 5-segment solid rocket boosters to achieve a 70 metric ton payload capability, but a new, more capable booster system will be required to attain the goal of 130 metric tons to orbit. To this end, NASA s Marshall Space Flight Center recently released a NASA Research Announcement (NRA) entitled "Space Launch System (SLS) Advanced Booster Engineering Demonstration and/or Risk Reduction." The increased emphasis on affordability is evident in the language used in the NRA, which is focused on risk reduction "leading to an affordable Advanced Booster that meets the evolved capabilities of SLS" and "enabling competition" to "enhance SLS affordability. The purpose of the work presented in this paper is to perform an independent assessment of the elements that make up an affordable and realistic path forward for the SLS booster system, utilizing advanced design methods and technology evaluation techniques. The goal is to identify elements that will enable a more sustainable development program by exploring the trade space of heavy lift booster systems and focusing on affordability, operability, and reliability at the system and subsystem levels5. For this study, affordability is defined as lifecycle cost, which includes design, development, test, and engineering (DDT&E), production and operational costs (P&O). For this study, the system objectives include reducing DDT&E schedule by a factor of three, showing 99.9% reliability, flying up to four times per year, serving both crew and cargo missions, and evolving to a lift capability of 130 metric tons.3 After identifying gaps in the current system s capabilities, this study seeks to identify non-traditional and innovative technologies and processes that may improve performance in these areas and assess their impacts on booster system development. The DDT&E phase may be improved by incorporating incremental development testing and integrated demonstrations to mitigate risk. To further reduce DDT&E, this study will also consider how aspects of the booster system may have commonality with other users, such as the Department of Defense, commercial applications, or international partners; by sharing some of the risk and investment, the overall development cost may be reduced. Consideration is not limited to solid and liquid rocket boosters. A set of functional performance characteristics, such as engine thrust, specific impulse (Isp), mixture ratio, and throttle range are identified and their impacts on the system are evaluated. This study also identifies how such characteristics affect overall life cycle cost, including DDT&E and fixed and variable P&O.

Arockiam, Nicole↗

DOE OSTI2025

Thermophilic site-specific recombination system for rapid insertion of heterologous DNA into the Clostridium thermocellum chromosome

Clostridium thermocellum is an anaerobic thermophile capable of producing ethanol and other commodity chemicals from lignocellulosic biomass. The insertion of heterologous DNA into the C. thermocellum chromosome is currently achieved via a time-consuming homologous recombination process, where a single stable insertion can take 2–4 weeks or more to construct. In this work, we developed a thermostable version of the Serine recombinase Assisted Genome Engineering (tSAGE) approach for gene insertion in C. thermocellum utilizing a site-specific recombinase from Geobacillus sp. Y412MC61, enabling quick and easy insertion of DNA into the chromosome for accelerated genetic tool screening and heterologous gene expression. Using tSAGE, chromosomal insertion of plasmid DNA occurred at a maximum transformation efficiency of 5 × 10 3 CFU/µg, which is comparable to the transformation efficiency of a replicating control plasmid in C. thermocellum. Using tSAGE, we chromosomally integrated and characterized 17 reporter genes, 15 homologous and 31 heterologous constitutive promoters of varying strengths, 4 inducible promoters, and 5 riboswitches in C. thermocellum. We also determined that a 6–7 nucleotide gap between the ribosome binding site (RBS) and the start codon is optimal for high expression by employing a library of superfolder green fluorescent protein expression constructs driven by our strongest tested promoter (P clo1313_1194 ) with different distances between the RBS and start codon. The tools developed here will aid in accelerating C. thermocellum strain engineering for producing sustainable fuels and chemicals directly from plant biomass.

Biofuels↗