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

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Global Network Analysis of Neisseria gonorrhoeae Identifies Coordination between Pathways, Processes, and Regulators Expressed during Human Infection

Neisseria gonorrhoeae is a Gram-negative diplococcus that is responsible for the sexually transmitted infection gonorrhea, a high-morbidity disease in the United States and worldwide. Over the past several years, N. gonorrhoeae strains resistant to antibiotics used to treat this infection have begun to emerge across the globe. Thus, new treatment strategies are needed to combat this organism. Here, we utilized N. gonorrhoeae transcriptomic data sets, including those obtained from natural infection of the human genital tract, to infer the first global gene coexpression network of this pathogen. Interrogation of this network revealed genes central to the network that are likely critical for gonococcal growth, metabolism, and virulence, including genes encoding hypothetical proteins expressed during mucosal infection. In addition, network analysis revealed overlap in the response of N. gonorrhoeae to incubation with neutrophils and exposure to hydrogen peroxide stress in vitro. Network analysis also identified new targets of the gonococcal global regulatory protein Fur, while examination of the network neighborhood of genes allowed us to assign additional putative categories to several proteins. Collectively, the characterization of the first gene coexpression network for N. gonorrhoeae described here has revealed new regulatory pathways and new categories for proteins and has shown how processes important to gonococcal infection in both men and women are linked. This information fills a critical gap in our understanding of virulence strategies of this obligate human pathogen and will aid in the development of new treatment strategies for gonorrhea.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Nuclear Sciences References (NSR)

Nuclear Science literature database, containing about 250,000 articles covering more than 120 years of nuclear science research. Approximately 80 journals are routinely scanned for relevant articles; it also includes PhD thesis and private communications. Each article in NSR is assigned a distinctive 8-character primary key, known as ‘key number’, and a set of keywords that briefly describe the article's content. These keywords follow strict rules since they are used in web search forms. Typically, an article is incorporated in NSR within a few weeks after its web publication. About 4,000 articles are added per year. All the compilation effort is supported by the US Nuclear Data Program and coordinated by the National Nuclear Data Center at Brookhaven National Laboratory, which is also responsible for its web dissemination.

Basic Nuclear Research, Applied Nuclear Technologi↗
DOE OSTI2022

Experimental Unevaluated Nuclear Data List (XUNDL)

Contains nuclear structure and decay data from published articles. Data include nuclear level properties, such as energy, half-life, decay modes, spin and parity, as well as energy and intensity for radiation types such as gammas, alphas, betas and neutrons. For articles published in Physical Review C and the European Physical Journal, compilation takes place during the article submission process. Data from approximately 250 articles are added per year. All the compilation effort is supported by the US Nuclear Data Program and coordinated by the National Nuclear Data Center at Brookhaven National Laboratory, which is also responsible for its web dissemination.

Basic Nuclear Research, nuclear structure and deca↗
DOE OSTI2021

Evidence of Completion of Milestone 4: Simulation Testbed Validated with Experimental Data

Milestone 4 is given in the SOPO as being due in quarter 5 (ending 9/11/2020) and is described thus: Milestone 4: Enhanced Simulation Testbed Validated with Experimental Data (UM, Mathieu). Simulation testbed validated with data obtained from experimental testbed, specifically, nonlinear load behaviors and communication network issues observed in the experimental testbed will be modeled in the simulation testbed. The simulation testbed should accurately capture TCL real and reactive power consumption (including during extreme events associated with nonlinear behaviors and communication network failures) to within 5% RMSE error with respect to data obtained from the experimental testbed. The Tasks comprising the work to achieve Milestone 4 are outlined here.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Evidence of Completion of Milestone 4: Simulation Testbed Validated with Experimental Data

Milestone 4 is given in the SOPO as being due in quarter 5 (ending 9/11/2020) and is described thus: Milestone 4: Enhanced Simulation Testbed Validated with Experimental Data (UM, Mathieu) Simulation testbed validated with data obtained from experimental testbed, specifically, nonlinear load behaviors and communication network issues observed in the experimental testbed will be modeled in the simulation testbed. The simulation testbed should accurately capture TCL real and reactive power consumption (including during extreme events associated with nonlinear behaviors and communication network failures) to within 5% RMSE error with respect to data obtained from the experimental testbed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Does practice make perfect? Lessons learned from full-scale power system incident response exercise

While threats to the energy sector occur daily, few utilities get the opportunity to fully test out their detection and response mechanisms to advanced threats in the real world. With the high demand for reliability, few grid operators would allow execution of simulated cyber-attacks on their live systems. The DOE-funded Liberty Eclipse project offers a unique opportunity for small and large utilities and coops to practice their combined IT/OT responses to a live red team executing attacks against an isolated power system on an island in New York. Both cyber teams and power operations teams must work together to detect and respond to attacks, even restoring the power system against extreme impacts. Lessons learned from these exercises reveal key takeaways for understanding what a real attack against the electric sector will look like, gaps in execution of the best-laid plans when the pressure of a real event is bearing down, and how organizations can better prepare for advanced attacks by optimizing participation in exercises. This presentation will discuss successes and opportunities for improvement both in how utilities can prepare for and respond to events, as well as how full-scale IT/OT exercises can be coordinated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Structural Manipulation of a Zirconocene-Based Porous Coordination Cage Using External and Host–Guest Stimuli

Porous coordination cages (PCCs) constructed from a zirconocene-based cluster have drawn great attention for their high stability and structural tunability. These features have enabled these cages to be utilized for a wide array of applications. Here this work demonstrates the structural flexibility and stimulus-responsive features of two interconvertible zirconocene-based PCCs. The subjects, PCC-20c (capsular) and PCC-20t (tetrahedral), are constructed from the same cluster and ligand but exhibit different shapes and properties. In the synthetic study of the cages, it is found that higher temperatures of synthesis yield PCC-20c in several different crystalline phases while lower temperatures of synthesis yield pure phase PCC-20t. Thermodynamic studies on the interconversion of the two cages show that the conversion from PCC-20t into PCC-20c is an entropically driven process and can be largely affected by the solvent environment. Additionally, the process of PCC-20t/c conversion can be mediated by the counter anions and light irradiation as evidenced by the change in equilibrium constants under these influences. The current studies are conducted to decipher how the PCC-20t/c phase can be controllably synthesized, interconverted, and their properties can be modified under the use of external stimuli: heat, light, and guest molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The U.S. Fusion Materials Community Roadmap: Near-term research priorities for the development of plasma-facing and structural materials for fusion power plants

In response to the needs of a rapidly growing private fusion industry, the U.S. Fusion Materials Coordinating Committee (FMCC) and the broader U.S. fusion materials research community undertook an extensive effort to create a comprehensive roadmap for fusion materials development. The result of this effort was the U.S. Fusion Materials Community Roadmap (US-FMCR), which describes the steps needed to advance the technical maturity of leading candidates for plasma-facing materials and structural materials for fusion power plants from laboratory-scale experiments to a point of sufficient technological readiness for industrial adoption and implementation. However, researchers face significant resource constraints as well as very aggressive pilot plant development timelines. Thus, the research strategies detailed in the US-FMCR require further assessment to downselect the specific tasks that must be prioritized within the next two to three years, in order to make the most efficient use of funding, human resources, and experimental facilities. This paper presents an overview of the US-FMCR and its development process. We also present the subset of research objectives that the FMCC identified as the most urgent research priorities for the U.S. fusion materials research community. The state-of-the-art of materials research is also highlighted for each class of materials considered in the US-FMCR. The recommendations presented here integrate an extensive evaluation of the current status of fusion materials research with a broad cross-section of opinion from the wider U.S. fusion community.

Ferry, Sara [Massachusetts Institute of Technology↗
DOE OSTI2023

The first field application of a low-cost MPC for grid-interactive K-12 schools: Lessons-learned and savings assessment

K-12 schools are the largest energy consumers in the public sector, with their HVAC energy consumption representing the largest portion of their total energy use. While transitioning these schools to grid-interactive HVAC system operation through advanced controls offers significant financial and environmental benefits, and model predictive control (MPC) has been identified as a promising solution to achieve that, very few MPCs are affordable and have been deployed in K-12 schools. This situation raises concerns about the unclear real-world benefits of MPC technology among facility managers and industries. To address this gap, this paper presents a low-cost MPC solution that requires minimal control infrastructure costs and a unique field demonstration at a K-12 school, conducted for both cooling and heating seasons. This work adopted a previously developed MPC and extended it for use in the school application. The MPC aims to coordinate multiple packaged units to eliminate unnecessary peaks and shift cooling or heating loads in response to grid signals based on load conditions, while maintaining thermostat temperatures within school-defined bounds. Throughout the field tests, the MPC achieved a 24% reduction in peak demand during the cooling season and shifted cooling or heating loads by up to 16% in response to the school's utility tariff, considering load conditions, while also allowing end-users to override thermostat setpoints. Further, the paper also discusses the limitations of this study and future research directions for better performance of the MPC at K-12 schools.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Deep reinforcement learning assisted co-optimization of Volt-VAR grid service in distribution networks

With the increasing penetration of distributed energy resources in distribution networks, Volt-VAR control and optimization (VVC/VVO) have become very important to ensure an acceptable quality of service to all customers. System operators can rely on slow-responding utility devices, including capacitor banks and on-load tap changing transformers, along with fast-responding battery and photovoltaic (PV) inverters for the VVC/VVO implementation. Because of variations in response time of these two classes of devices, and different control actions (discrete versus continuous), coordinated and optimal scheduling and operation have become of utmost importance. Here, this paper develops a look-ahead deep reinforcement learning (DRL)-based multi-objective VVO technique to improve the voltage profile of active distribution networks, decrease network and inverter power loss, and save the operational cost of the grid. It proposes a deep deterministic policy gradient (DDPG)-based approach to schedule the optimal reactive and/or active power set-points of fast-responding inverters, and a deep Q-network (DQN)-based DRL agent to schedule the discrete decisions variables of slow-responding assets. The reactive power output of PV and battery smart inverters are scheduled at 30-minute intervals and the capacitors’ commitment status is scheduled with several hour intervals. The proposed framework is validated on the modified IEEE 34-bus and 123-bus test cases with embedded PV and PV-plus-storage. To validate the efficacy of the proposed VVO, it is compared with several scenarios, including the base case without VVO, localized droop control of DERs, DDPG-only, and twin delayed DDPG (TD3) agent-based DRL techniques. The results justify the superior performance of the proposed method to improve the voltage profile, reduce network power loss, and minimize the look-ahead grid operational cost while minimizing the undesirable power losses in inverters as a result of power factor adjustments.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Mitochondrial integration and ovarian cancer chemotherapy resistance

Ovarian cancer has been nicknamed the “silent killer”. Most patients with ovarian cancer are diagnosed at an advanced stage of the disease for the first time because of its insignificant early clinical symptoms. In addition to the difficulty of early screening and delay in diagnosis, the high recurrence rate and relapsed refractory status of patients with ovarian cancer are also important factors for their high mortality. Patients with recurrent ovarian cancer often use neoadjuvant chemotherapy followed by surgery as the first choice. However, this is often accompanied by chemotherapy resistance, leading to treatment failure and a mortality rate of more than 90%. In the past, it was believed that the anti-tumor effect of chemotherapeutics represented by cisplatin was entirely attributable to its irreversible damage to DNA, but current research has found that it can inhibit cell growth and cytotoxicity via nuclear and cytoplasmic coordinated integration. As an important hub and integration platform for intracellular signal communication, mitochondria are responsible for multiple key factors during tumor occurrence and development, such as metabolic reprogramming, acquisition of metastatic ability, and chemotherapy drug response. The role of mitochondria in ovarian cancer chemotherapy resistance is becoming increasingly recognized. In this review, we discuss the cellular interactive regulatory network surrounding mitochondria, elucidate the mechanisms of tumor cell survival under chemotherapy, and discuss potential means of interfering with mitochondrial function as a novel anti-cancer therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Selective Uptake of Ethane/Ethylene Mixtures by UTSA-280 is Driven by Reversibly Coordinated Water Defects

The metal–organic framework (MOF) UTSA-280 has been shown previously to separate ethane/ethylene mixtures. We show that this separation is kinetic; if full equilibrium is reached, the MOF is not selective. The time scales associated with this kinetic separation are sufficient to make the material potentially interesting for practical separations. The observation of kinetic separation is surprising because the MOF’s one-dimensional (1D) channels are small enough that molecular motion along the channels would be expected to take place by single-file diffusion, which is not observed. We show using a combination of experimental and modeling techniques that diffusion of molecules between adjacent 1D channels through local defects associated with coordinated water molecules allows net mixing of molecules and, moreover, that this process is potentially responsible for the selective nature of the observed kinetic separation. We show how activation and regeneration conditions play an essential role in controlling the density of these local defects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Interfacial Fabrication of Supramolecular Polymer Networks Using Mussel-Inspired Catechol–Iron Complexes

The liquid–liquid interface provides a promising platform to construct supramolecular polymers and materials with advanced functions. However, supramolecular polymerization at the interface usually requires monomers with different or even orthogonal solubilities, which significantly limit the number of usable monomers. Here, in this work, we report a new strategy to construct supramolecular polymer networks at the oil–water interface using a water-soluble catechol–iron complex and an oil-soluble diend-functionalized polymer. Owing to the dynamic catechol–iron coordination bond and imine bond, the resulting supramolecular polymer networks demonstrate excellent dynamic features and responsiveness to different stimuli including the pH, redox, competing ligands, and temperature. With a supramolecular polymer network serving as a building block, emulsions and 2D films can be generated that have potential applications in encapsulation, release, and molecular separation.

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

Ru Single Atoms on One-Dimensional CF@g-C 3 N 4 Hierarchy as Highly Stable Catalysts for Aqueous Levulinic Acid Hydrogenation

Herein, we report a stable catalyst with Ru single atoms anchored on a one-dimensional carbon fiber@graphitic carbon nitride hierarchy, by assembling wet wipes composed of fiber-derived carbon fiber (CF), melamine-derived graphitic carbon nitride (g-C3N4) and RuCl3 before NaBH4 reduction. The atomically dispersed Ru species (3.0 wt%) are tightly attached via N-coordination provided by exterior g-C3N4 nanosheets, and further stabilized by the interior mesoporous CF. The obtained CF@g-C3N4–Ru SAs catalyst can be cycled six times without notable leaching of Ru or loss of GVL yield in the acidic media. This catalyst is more stable than Ru nanoparticles supported on CF@g-C3N4, as well as Ru single atoms anchored on CF and g-C3N4, and proves to be one of the most efficient metal catalysts for aqueous LA hydrogenation to γ-valerolactone (GVL). The isolated Ru atoms by strong N-coordination, and their enhanced electron/mass transfer afforded by the one-dimensional hierarchy, can be responsible for the excellent durability of CF@g-C3N4–Ru SAs under harsh reaction conditions.

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

Role of morphology in defect formation and photo-induced carrier instabilities in amorphous indium oxide

Ab initio molecular dynamics liquid-quench simulations and hybrid density functional calculations are performed to model the effects of room-temperature atomic fluctuations and photo-illumination on the structural and electronic properties of amorphous sub-stoichiometric In 2 O 2.96 . A large configurational ensemble is employed to reliably predict the distribution of localized defects as well as their response to the thermal and light activation. The results reveal that the illumination effects on the carrier concentration are greater in amorphous configurations with shorter In–O bond length and reduced polyhedral sharing as compared to the structures with a more uniform morphology. Further, the obtained correlation between the photo-induced carrier density and the reduction in the number of fully coordinated In-atoms implies that metal oxides with a significant fraction of crystalline/amorphous interfaces would show a more pronounced response to illumination. Photo-excitation also produces In–O 2 –In defects that have not been previously found in sub-stoichiometric amorphous oxides; these defects are responsible for carrier instabilities due to overdoping.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Adaptive Load Shedding as Part of Primary Frequency Response To Support Networked Microgrid Operations

Global changes in the deployment of distributed energy resources, control and communications technologies, business models, and regulatory policy are increasing the operational options for future distribution systems. One such option is the coordinated operation of distributed resources to form microgrids and networks of microgrids to support traditional bulk power systems during normal operations and critical end-use loads during outages. While individual standalone microgrids have been extensively studied and deployed, the coordinated operation of networked microgrids is operationally more challenging due to the dynamic boundaries and changing mix of generation resources. Here, this paper presents a method of using a distributed control architecture to support primary frequency response in networked microgrids operations. The support of primary frequency response is accomplished using the Open Field Message Bus reference architecture and Grid Friendly Appliance controllers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Mesoscale simulation of granular materials under weak shock compaction–pore size distribution effects

This research established a systematic method to generate various pore-size distributions (PSDs) and studied the effect of PSDs on the shock compaction response of granular materials using two-dimensional mesoscale simulations under identical porosity. Simulations utilized various PSDs for three particle shapes (circle, ellipse, and square). Contacting particle configurations using three PSDs, characterized by spatially uniform distributed pores to heterogeneous distributed pores, and non-contacting particle configurations under a single case of PSD were tested. The PSD of generated particle sets was characterized using coordination number, mean diameter, and bimodality coefficient as statistical metrics. Mesoscale simulations showed that regardless of the conditions of pore distributions, shock compaction of granular materials consistently demonstrates a precursor, shock compaction front, and end. However, the shock compaction velocity of contacting particles was dependent on the PSDs despite the constant initial porosity. The compaction velocity was faster in particle configurations with relatively uniform pore distributions than in heterogeneous pore distributions, which our study demonstrated can be attributed to particle rearrangement during compaction. Circular-shaped particles had high sensitivity in shock compaction response to the various PSDs. Furthermore, a contacting particle configuration tended to propagate the shock compaction wave relatively faster than particles that were in a non-contact configuration. This study established the relative importance of considering PSD as a metric over the coordination number in studies of the shock compaction response of granular materials. Further, insights are provided on the evolving shock substructure to characterize the shock compaction response of granular materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A machining digital twin for hybrid manufacturing

Hybrid manufacturing consisting of metal additively manufactured preforms and computer numerical control (CNC) machining has been established to be an effective method for high material use rates. However, hybrid manufacturing introduces unique challenges. Near-net shape designs are typically selected, which result in a smaller margin for part placement within the stock and stringent requirements for work coordinate system identification. Additionally, less stock material reduces the preform stiffness, which limits the material removal rates during machining. This paper demonstrates a digital twin for CNC machining of a wire arc additively manufactured preform that implements: 1) structured light scanning for stock model identification and tool path generation; 2) a fused filament fabrication apparatus to attach temporary fiducials and scan targets to the preform that enable coordinate system definition for both the CAM and CNC machine; 3) preform and tool tip frequency response function measurements to enable stable milling parameter selection; and 4) post-manufacturing measurements of geometry, surface finish, and structural dynamics to confirm designer intent. These efforts define key components of the machining digital twin for hybrid manufacturing.

36 MATERIALS SCIENCE↗