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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Self-powered Wireless Dual-mode Langasite Sensor for Pressure/Temperature Monitoring of Nuclear Reactors

Safety issues in nuclear power plants are of extreme importance. Numerous sensors are used within nuclear power plants for sensing and monitoring of its critical operation parameters. As currently implemented, during massive losses of power across the plant in accidents, the backup batteries for the monitoring sensors will ultimately be drained and can cease to operate. The overall objective of this NEUP project is to develop a novel self-powered wireless hybrid sensor which can accurately monitor both pressure and temperature using a single device, even in the extreme harsh environments of severe nuclear accidents, without the requirement of external electricity. At Virginia Tech side, a heat pipe assisted thermoelectric generator (TEG) energy harvester and associated power management and data transmission circuits were developed. The energy harvester can produce electrical power continuously, even in loss of plant and external power situations, providing power for important data transmission for accident diagnosis. The self-powered sensing system could be integrated directly onto key nuclear components including pipes, pump housings, heat exchangers, reactor vessels, and shielding structures inside and outside of the reactor core. Two TEG based energy harvesters which can work in relatively low (50-250 ºC) and high temperature ranges (250-350 ºC) were established and tested. In the prototypes, heat pipes were introduced to reduce the heat resistances of the device at the hot and cold ends. The power output of the heat pipe assisted TEG module is 2.22 W, which is 6 times more than one using an aluminum rod. In-lab tests showed that these devices canmeet the requirement to power the sensors and circuit during normal and off-normal conditions.Amodel was then built to analyze the thermal network in the energy harvester, and was used to optimize its performance and reduce its geometry size. The design and testing of the vibrational energy harvester were completed. The harvester, has shown to effectively increase the vibrational potential of the main coolant pump, though it has been shown that thermal energy has a much higher potential for the powering of sensors. In this project, a self-start charger circuit for the energy harvester was designed to regulate and manage the power. An energy storage element was incorporated into the energy harvesting module for sensors and wireless transceivers in an off-normal situation. The signal conditioning and wireless communication electronic circuits were developed and tested in the lab. An important consideration for an energy harvester within a nuclear power plant is the level of radiation it will encounter during operation. The two main sources of radiation in a nuclear power plant are gamma and neutron radiation. Aradiation experiment was conducted in the Westinghouse Electric Company during which the prototypes were placed in a 106 rad radiation environment to test their ability to operate in the extreme environment. The results showed that this level of radiation had little effect on the performance of the TEGmaterial and heat pipe heat exchanging system. Its influence on the circuit was still under research, however the need for more development on radiation hardened electronics is needed. Pressure measurement based on piezoelectric crystal resonators has advantages over the commercially available methods like capacitive, electromagnetic, optical, potentiometric, and piezo resistive strain gauges. Since the output of piezoelectric based sensors are digital in format, it has a very high resolution, high accuracy, and long-term stability. Quartz is one of the commonly used piezoelectric material in digital pressure sensors design. This material is elastic in nature, providing high stability, high repeatability, high elasticity, repeatable mechanical behavior for many cycles of operation, and is free of hysteresis. The quartz resonator has a high Q, which means that very high vibration can be driven with the very low electric power. Langasite (LGS) is a new promising piezoelectric material that combines the advantageous properties of quartz with a better performance at high temperatures. LGS will not undergo any phase transitions up to its melting temperature of 1473 C, and hence, the application of Langasite in measuring pressure at high temperatures is promising. In this project, the design and fabrication of the piezo oscillator crystal for temperature and pressure measurement has been completed. The entire sensor has been fabricated and tested to see its sensitivity to temperature and pressure changes. The design and optimization of the radiation shielding systems that can effective protect the duel-mode Langasite sensor inside reactor core were demonstrated. To maximize the radiation shielding effectiveness, different types of materials are investigated based upon recent developments of radiation shielding systems including aluminum + Boron carbide and bismuth borosilicate glass B2O3 in addition to tungsten/B4C. New materials based upon metatheses is included as potential shielding to mitigate neutron fluencies. The radiation shielding effectiveness of selected composites are evaluated within a broader neutron spectrum from thermal, epithermal, fast (1 MeV) and 15 MeV neutrons. Performance analysis was also conducted to evaluate the effects of selected composite systems.Aconceptual design was also proposed for the packaging and integration of the radiation shielding system with the sensor, and its applicability within the reactor core was discussed. At end of the project, all components necessary for a complete sensing and monitoring system, including a langasite sensor, electrodes, the TEG harvester, an energy storage device, and power management and transmission electronics were integrated to demonstrate feasibility in powering the sensor. Finally, integration of each component into a full package, and a full demonstration were done.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Constraint based scheduling for the Goddard Space Flight Center distributed Active Archive Center's data archive and distribution system

The Goddard Space Flight Center (GSFC) Distributed Active Archive Center (DAAC) has been operational since October 1, 1993. Its mission is to support the Earth Observing System (EOS) by providing rapid access to EOS data and analysis products, and to test Earth Observing System Data and Information System (EOSDIS) design concepts. One of the challenges is to ensure quick and easy retrieval of any data archived within the DAAC's Data Archive and Distributed System (DADS). Over the 15-year life of EOS project, an estimated several Petabytes (10(exp 15)) of data will be permanently stored. Accessing that amount of information is a formidable task that will require innovative approaches. As a precursor of the full EOS system, the GSFC DAAC with a few Terabits of storage, has implemented a prototype of a constraint-based task and resource scheduler to improve the performance of the DADS. This Honeywell Task and Resource Scheduler (HTRS), developed by Honeywell Technology Center in cooperation the Information Science and Technology Branch/935, the Code X Operations Technology Program, and the GSFC DAAC, makes better use of limited resources, prevents backlog of data, provides information about resources bottlenecks and performance characteristics. The prototype which is developed concurrently with the GSFC Version 0 (V0) DADS, models DADS activities such as ingestion and distribution with priority, precedence, resource requirements (disk and network bandwidth) and temporal constraints. HTRS supports schedule updates, insertions, and retrieval of task information via an Application Program Interface (API). The prototype has demonstrated with a few examples, the substantial advantages of using HTRS over scheduling algorithms such as a First In First Out (FIFO) queue. The kernel scheduling engine for HTRS, called Kronos, has been successfully applied to several other domains such as space shuttle mission scheduling, demand flow manufacturing, and avionics communications scheduling.

Short, Nick, Jr.↗
NASA NTRS2011

CFDP for Interplanetary Overlay Network

The CCSDS (Consultative Committee for Space Data Systems) File Delivery Protocol for Interplanetary Overlay Network (CFDP-ION) is an implementation of CFDP that uses IO' s DTN (delay tolerant networking) implementation as its UT (unit-data transfer) layer. Because the DTN protocols effect automatic, reliable transmission via multiple relays, CFDP-ION need only satisfy the requirements for Class 1 ("unacknowledged") CFDP. This keeps the implementation small, but without loss of capability. This innovation minimizes processing resources by using zero-copy objects for file data transmission. It runs without modification in VxWorks, Linux, Solaris, and OS/X. As such, this innovation can be used without modification in both flight and ground systems. Integration with DTN enables the CFDP implementation itself to be very simple; therefore, very small. Use of ION infrastructure minimizes consumption of storage and processing resources while maximizing safety.

Burleigh, Scott C.↗
DOE OSTI2018

Mixed Domains Enhance Charge Generation and Extraction in Bulk-Heterojunction Solar Cells with Small-Molecule Donors

The interplay between nanomorphology and efficiency of polymer-fullerene bulk-heterojunction (BHJ) solar cells has been the subject of intense research, but the generality of these concepts for small-molecule (SM) BHJs remains unclear. Here in this paper, the relation between performance; charge generation, recombination, and extraction dynamics; and nanomorphology achievable with two SM donors benzo[1,2-b:4,5-b]dithiophene-pyrido[3,4-b]-pyrazine BDT(PPTh 2 ) 2 , namely SM1 and SM2, differing by their side-chains, are examined as a function of solution additive composition. The results show that the additive 1,8-diiodooctane acts as a plasticizer in the blends, increases domain size, and promotes ordering/crystallinity. Surprisingly, the system with high domain purity (SM1) exhibits both poor exciton harvesting and severe charge trapping, alleviated only slightly with increased crystallinity. In contrast, the system consisting of mixed domains and lower crystallinity (SM2) shows both excellent exciton harvesting and low charge recombination losses. Importantly, the onset of large, pure crystallites in the latter (SM2) system reduces efficiency, pointing to possible differences in the ideal morphologies for SM-based BHJ solar cells compared with polymer-fullerene devices. Lastly, in polymer-based systems, tie chains between pure polymer crystals establish a continuous charge transport network, whereas SM-based active layers may in some cases require mixed domains that enable both aggregation and charge percolation to the electrodes.

25 ENERGY STORAGE↗
DOE OSTI2022

Tuning the Solvation Structure in Aqueous Zinc Batteries to Maximize Zn-Ion Intercalation and Optimize Dendrite-Free Zinc Plating

Aqueous zinc batteries are recognized to suffer from H + /Zn 2+ coinsertion in the cathode, but few approaches have been reported to suppress deleterious H + intercalation. We realize this goal by tuning the solvation structure, using LiV 2 (PO 4 ) 3 (LVP) as a model cathode. Phase conversion of LVP induced by H + intercalation is observed in 4 m Zn(OTf) 2 , whereas dominant Zn 2+ insertion is confirmed in a ZnCl 2 water-in-salt electrolyte (WiSE). This disparity is ascribed to the complete absence of free water and a strong Zn 2+ –H 2 O interaction in the latter that interrupts the H 2 O hydrogen bonding network, thus suppressing H + intercalation. On the basis of this strategy, a novel PEG-based hybrid electrolyte is designed to replace the corrosive ZnCl2 WiSE. This system exhibits an optimized Zn 2+ solvation sheath with a similar low free water content, showing not only much better suppression of H + intercalation but also highly reversible Zn plating/stripping with a CE of ~99.7% over 150 cycles.

25 ENERGY STORAGE↗
DOE OSTI2022

Network Constraints Consideration for Grid-Edge Energy Management System

Increased deployment of distributed energy resources (DER) in distribution system is bringing need for enhanced grid intelligence, control, and flexibility. This is significant at the edge of the grid where DERs, loads or microgrids are located. Integrated DERs in a distribution system need to follow grid codes to avoid violations that results in DER disconnection. To comply with grid code requirements (e.g. IEEE 1547-2018) at the grid edge level, network constrained grid edge energy management system (GEEMS) is proposed in this paper. The objective of GEEMS is to provide economic solution for active and reactive power dispatch set-points at each interval and ensure voltage regulation to support secure interconnection of the grid edge segment to the distribution system. To evaluate the proposed GEEMS framework, four DERs are included into IEEE 13 bus system. GEEMS outperforms the existing economic dispatch-based energy management system by reducing the voltage violation.

Electric vehicle depot charging station↗
DOE OSTI2024

Nuclear Thermal Energy Storage Configurations for Industrial Combined Heat and Power Supply: Conceptual Study and Engineering Designs

The industries examined in this report primarily rely on moderate-temperature heat provided by gas- or coal-fired boilers and combined heat and power (CHP) plants, delivered through standard process steam systems. High-temperature energy demands are often industry-specific and typically exceed the capabilities of high-temperature gas-cooled reactors (HTGRs). While it is technically feasible to replace process steam from fossil-based heat sources with nuclear energy, certain industries, such as methanol production and pulp and paper, face technoeconomic challenges in integrating nuclear energy without major changes or a technological shift. This is mainly due to the limited external energy demand remaining after the use of internal byproducts, waste heat recovery, and simple efficiency improvements. Achieving full decarbonization of these processes with nuclear energy would require significant technological advancements, involving experimental technology and substantial investments, making widespread adoption in existing industrial plants unlikely in the near term. This study reviews TES options in the context of enabling a flexible CHP supply while maintaining a steady nuclear heat input. Heat storage systems that interface between the reactor primary fluid and the CHP system offer superior performance and flexibility. Specifically, steam extraction downstream of the reheater with a two-tank molten-salt TES appears as the best solution regarding thermodynamic system benefits and system drawbacks. Using selected system configurations, a conceptual design of an industrial energy park was developed for industries with varying energy demands, such as steel production plants utilizing electric arc furnaces (EAFs) and chemical plants, as well as for those with constant energy demands, like petroleum refineries. This design highlights the capabilities of TES and explores its potential business cases. The study also conceptually develops the potential for integrating additional energy sources with nuclear systems through the implementation of TES. The potential of the HTGR-TES-CHP system was also evaluated considering key uncertainties such as industrial demand profiles, external grid access availability, and eligible tax credit levels, using the Holistic Energy Resource Optimization Network. Sensitivity of net present value to these uncertainties was analyzed to determine the optimal number of nuclear reactors (and CHP systems) and the suitable TES capacity. The results were interpreted from a decision-maker’s perspective, focusing on three key areas: deployment strategy (oversized units vs. undersized units with TES support), industrial process characteristics (thermal-intensive single profiles vs. electricity-intensive combined profiles), and operational goals (maximizing profits vs. minimizing natural gas (NG) consumption or external grid dependence). The optimization results indicate that the HTGR-TES-CHP system significantly reduces reliance on NG boilers for individual industrial processes by 9-60% (in NG capacity factor), with an average reduction of 38%, compared to standalone NG boiler operation case (Business As Usual [BAU]). For combined industrial processes, the reduction ranges from 37-77%, with an average of 60%. Additionally, the system greatly reduces dependence on external grids. In meeting industrial electrical demands, a 33-100% self-sufficient internal electricity supply is achieved for single industrial process, with an average of 74%, compared to the BAU scenario, where 100% of electricity is imported. For combined processes, 35-100% of internal electricity demands are met by the reactor, with an average of 73%. At last, the relative NG price levels at which the proposed HTGR-TES-CHP system can cost-effectively enter the market currently dominated by existing NG boilers were estimated. For a moderate HTGR CAPEX level ($\$$2500/kWth, $\$$6329/kWe), the analysis suggests that NG prices must be 2.5 to 7 times higher than HTGR variable operating and maintenance costs for single industrial process, and 5.5 to 9.5 times higher for a combined process scenario. Tax credit modeling shows that the Investment Tax Credit significantly reduces the price threshold needed to break even, making the system competitive with NG boilers in certain cases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Sparse Representations to Replace TOFD Images in Non-destructive Testing of Materials

This paper describes a proposed method for the selection of relevant samples of ultrasonic signals during automatic material inspection. Instead of the well-known time of flight diffraction (TOFD) images, data are stored as a sparse matrix in which the elements only indicate whether a defect has been detected. This technique avoids storage of useless signals received during probe displacement in cases of low and high signal-to-noise ratios that correspond to coarse-grained and fine-grained materials, respectively. The approach is based on comparing the positions of maximum amplitudes, which are randomly located when signals only consist of noise but are in the same signal range when a defect is detected. The matrix elements are then applied as inputs to a self organizing map by neural networks to produce a normalized sparse matrix as the output, with a constant number of elements. This approach will be beneficial to enable the use of selected data in intelligent systems requiring a fixed number of inputs to characterize defects.

42 ENGINEERING↗
NASA NTRS1998

Diode laser absorption sensors for gas-dynamic and combustion flows

Recent advances in room-temperature, near-IR and visible diode laser sources for tele-communication, high-speed computer networks, and optical data storage applications are enabling a new generation of gas-dynamic and combustion-flow sensors based on laser absorption spectroscopy. In addition to conventional species concentration and density measurements, spectroscopic techniques for temperature, velocity, pressure and mass flux have been demonstrated in laboratory, industrial and technical flows. Combined with fibreoptic distribution networks and ultrasensitive detection strategies, compact and portable sensors are now appearing for a variety of applications. In many cases, the superior spectroscopic quality of the new laser sources compared with earlier cryogenic, mid-IR devices is allowing increased sensitivity of trace species measurements, high-precision spectroscopy of major gas constituents, and stable, autonomous measurement systems. The purpose of this article is to review recent progress in this field and suggest likely directions for future research and development. The various laser-source technologies are briefly reviewed as they relate to sensor applications. Basic theory for laser absorption measurements of gas-dynamic properties is reviewed and special detection strategies for the weak near-IR and visible absorption spectra are described. Typical sensor configurations are described and compared for various application scenarios, ranging from laboratory research to automated field and airborne packages. Recent applications of gas-dynamic sensors for air flows and fluxes of trace atmospheric species are presented. Applications of gas-dynamic and combustion sensors to research and development of high-speed flows aeropropulsion engines, and combustion emissions monitoring are presented in detail, along with emerging flow control systems based on these new sensors. Finally, technology in nonlinear frequency conversion, UV laser materials, room-temperature mid-IR materials and broadly tunable multisection devices is reviewed to suggest new sensor possibilities.

Non-NASA Center↗
DOE OSTI2023

Measurement and applications: Exploring the challenges and opportunities of hierarchical federated learning in sensor applications

Sensor applications have become ubiquitous in modern society as the digital age continues to advance. AI-based techniques (e.g., machine learning) are effective at extracting actionable information from large amounts of data. An example would be an automated water irrigation system that uses AI-based techniques on soil quality data to decide how to best distribute water. However, these AI-based techniques are costly in terms of hardware resources, and Internet-of-Things (IoT) sensors are resource-constrained with respect to processing power, energy, and storage capacity. These limitations can compromise the security, performance, and reliability of sensor-driven applications. To address these concerns, cloud computing services can be used by sensor applications for data storage and processing. Unfortunately, cloud-based sensor applications that require real-time processing, such as medical applications (e.g., fall detection and stroke prediction), are vulnerable to issues such as network latency due to the sparse and unreliable networks between the sensor nodes and the cloud server [1]. As users approach the edge of the communications network, latency issues become more severe and frequent. A promising alternative is edge computing, which provides cloud-like capabilities at the edge of the network by pushing storage and processing capabilities from centralized nodes to edge devices that are closer to where the data are gathered, resulting in reduced network delays [2], [3].

Po-Leen Ooi, Melanie↗
DOE OSTI2023

Enabling site-specific well leakage risk estimation during geologic carbon sequestration using a modular deep-learning-based wellbore leakage model

Geologic carbon sequestration (GCS) is a promising technology for mitigating net carbon emissions and growing climate concern by storing CO 2 in reservoirs. Oil and gas brownfields are an attractive option for CO 2 storage, but these sites have many historical wellbores from petroleum production and can be a potential leakage pathway for CO 2 or formation brine. Therefore, risk management of GCS operations requires an assessment of potential well leakage. Due to the high uncertainty of the system, stochastic approaches are ideal for quantifying the range of risk behaviors, but they must be computationally efficient in the face of complex physics. Here, we develop a new physics-centric deep learning wellbore model to predict the leakage of CO 2 and brine through leaky wellbores. Multi-physics numerical simulations were used to generate data sets, and physics-informed features were introduced. Neural networks were optimized with an automated searching algorithm. Feature analysis quantifies the impact of each feature on model prediction and confirms the role of physics-inspired parameters. The model shows high predictive performance across a wide range of geologic and injection conditions and well attributes. In conclusion, a case study illustrates how the model is applied to assess well leakage in GCS operations.

58 GEOSCIENCES↗
DOE OSTI2016

Adsorption and Transport Properties of Zeolite SAPO-34 for Krypton/Xenon Separations

Nuclear power is an economical means of providing carbon-free energy, but requires effective ways to deal with the radioactive waste products. As part of the overall process for recycling used nuclear fuel (UNF), it is necessary to develop technologies to separate the off-gases formed during the fission of uranium and plutonium in nuclear power reactors. The off-gas contains {sup 129}I (radioisotope), NO, NO{sub 2}, CO{sub 2} containing {sup 14}C (radioisotope), {sup 3}H{sub 2}O (radioactive tritium oxide), {sup 85}Kr (radioisotope), and {sup 136}Xe. Separating and capturing each gas is essential to reduce the volume of radioactive waste for storage. Currently there exist economical technologies to separate {sup 129}I and {sup 14}CO{sub 2}. However, Kr and Xe separation is challenging because they are chemically inert and physically very similar. The Kr/Xe mixture is approximately 10/90 by volume and hence the separation of Kr would reduce the volume of radioactive {sup 85}Kr waste by a factor of 10. One way of separating them is by cryogenic distillation wherein they are condensed out as pure streams at very low temperature (Kr boiling point: -153 deg. C, Xe: -108 deg. C). Cryogenic distillation has intensive power requirements and a large system volume, resulting in high capital, operating, and disposal costs. Membrane-based separation using radiation-stable materials such as nanoporous zeolites is an attractive alternative, if membranes with sufficient Kr flux and selectivity can be fabricated. An ideal membrane process would permeate a stream of pure Kr for storage and also produce a retentate of pure Xe which has commercial value (> $8/g at 99+% purity from Airgas{sup R}). Zeolites are nanoporous crystalline aluminosilicate materials with pores that are capable of separating molecules by shape and size. SAPO-34 is a silicoaluminophosphate zeolite with pore size of 0.38 nm. The SAPO-34 is a molecular sieve composed of 3D networks with CHA frame structure containing uniform micropores. Since this pore size is intermediate between the kinetic diameters of krypton (0.36 nm) and xenon (0.396 nm), it was hypothesized that SAPO-34 membranes can separate krypton and xenon by diffusivity differences. Previously we fabricated SAPO-34 membranes and showed that they are capable of separating Kr from Xe. Here we describe a more detailed study of the fundamental adsorption and transport properties of SAPO34. In particular, the permeabilities of Kr and Xe in SAPO-34 are dependent on both their adsorption and diffusion characteristics in the nanoporous zeolite. Typically, nanoporous materials show stronger adsorption of Xe than Kr (due to stronger van der Waals forces) but faster diffusion of Kr (due to smaller kinetic diameter). Therefore the overall membrane selectivity towards Kr will be determined by competition between these two effects. A main objective of this study is to quantify and understand adsorption, diffusion, and permeation in detail and thereby obtain: (1) fundamental parameters useful for design calculations of a Kr/Xe separation membrane process, and (2) an experimental and modeling framework that can provide guidance on the expected limits of performance of SAPO-34 and other zeolite materials. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Intelligent, grid-friendly, modular extreme fast charging system with solid-state DC protection

The development of electric vehicle (EV) charging infrastructure is crucial for the widespread adoption of electric transportation. However, implementing such infrastructure is a complex task that requires consideration of factors such as space limitations, adherence to industry standards, grid capacity, and other technical and policy issues. This project seeks to create a framework for the efficient design of compact medium voltage (MV) extreme fast charging (XFC) stations for EVs. The station design involves the use of a solid-state transformer (SST) that connects to the MV distribution network, delivering power to a shared DC bus. This innovative approach eliminates the need for a step-down transformer to provide low-voltage service by connecting directly to the MV distribution network. Eliminating the low-frequency transformer not only reduces the system footprint and losses but also eliminates inrush currents during grid black-start. Additionally, placing power electronics directly on the distribution system allows for high-bandwidth filtering and power factor correction. The inclusion of a shared DC bus enables multiple charging dispensers and DC storage/generation units to connect, forming a DC microgrid. This setup facilitates power sharing with minimal conversion stages. The project showcases a DC distribution network protected by intelligent solid-state (SS) DC circuit breakers (DCCB) capable of isolating the smallest section of the faulted circuit much faster than existing mechanical solutions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Power HIL Validation of a MW-Scale Grid-Forming Inverter's Stabilization of Otherwise Unstable Cases of the Maui Transmission System

This presentation summarizes MW-scale power hardware-in-the-loop experiments using a 2.2 MW grid-forming inverter connected to a real-time electromagnetic transient simulation of the Maui transmission system. The hardware inverter used is a commercially available "off-the-shelf" inverter from a major manufacturer that is capable of operating in grid-forming mode or grid-following mode. The hardware inverter was connected via power hardware-in-the-loop to a real-time model of the year-2023 Maui power system, which consists of a networked transmission system with diverse generation sources. The results of the simulations indicate that with sufficient synchronous machines online, the system is stable without grid-forming inverters, but that as the amount of synchronous machines is reduced, the system becomes unstable. Changing the hardware inverter (scaled up to represent a 30 MW plant) into grid-forming mode mitigates the instability in various low-inertia cases, including a zero-inertia scenario with 100% of generation from PV and wind. This result broadly agrees with pure simulation results.

battery energy storage system↗
DOE OSTI2023

Bridging adsorption behavior of confined CH 4 -CO 2 binary mixtures across scales

An accurate understanding of the competitive adsorption of CH 4 -CO 2 binary mixtures in nano-confined systems is critical for engineering CO 2 storage in shale gas reservoirs. Due to difficulties in making reliable experimental observations in nano-scale, atomistic simulations (ASs), such as the Grand Canonical Monte Carlo (GCMC) method, provide a viable approach to studying the adsorption behavior of confined fluids. ASs are, however, limited in the size of the compositional domain due to the high computational cost. This work proposes a framework that combines AS and the lattice Boltzmann (LB) method to bridge the physics of confined fluids across scales. The Peng–Robinson equation of state (PR-EoS) produces fugacity coefficients, which serve as input for conducting multi-component GCMC simulations. These GCMC simulations explore the competitive adsorption behavior of CH 4 -CO 2 in nano-slits at various composition, pressure, and channel-width conditions. Both components generate adsorption layers with high densities near the walls with CO 2 preferentially adsorbing compared to CH 4 on the organic walls of carbon sheets. At the mesoscale, a pseudopotential model represents the intermolecular forces in multi-component, multiple-relaxation-time LB simulations. The LB simulations are in good agreement with the GCMC results, allowing us to obtain values for tunable LB parameters. We then extend the use of LB to simulate adsorption behavior in complex networks with nano-sized channels. The phase behavior and fluid properties in the complex geometries of nano-channels differ from nano-slits and bulk systems. Furthermore, the bridging of physics from GCMC (microscale) to LB (mesoscale) via the macroscale PR-EoS connects the adsorption behavior of binary systems across scales.

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

Unveiling the Liquid Electrolyte Solvation Structure by Small Angle X-ray Scattering

The fundamental understanding of the liquid electrolyte (LE) solvation structure and electrode–electrolyte interface behavior will bring more in-depth thinking and revolutionary changes to the entire electrochemical energy storage field. Regardless of the variety of techniques available, the methods employed to investigate electrolyte solvation structures over a long-range are severely limited. Small-angle X-ray scattering (SAXS) is an ideal complement to Raman spectroscopy, Fourier transform infrared spectroscopy, or nuclear magnetic resonance, which offers a unique perspective from a larger scale on clusters or networks in electrolytes. Understanding the solvation structures from a few angstroms to hundreds of nanometers will undoubtedly lay a good foundation for studying the macroscopic transport properties, such as viscosity and ionic conductivity, of the LEs. Here, in this Perspective, we discuss the use of SAXS to investigate the solvation structures in different electrolyte systems, a prospect for the SAXS broader application in the electrolyte study, and some challenges that need to be solved in the SAXS application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Upper Blue Nile Basin Water Budget from a Multi-Model Perspective

Improved understanding of the water balance in the Blue Nile is of critical importance because of increasingly frequent hydroclimatic extremes under a changing climate. The intercomparison and evaluation of multiple land surface models (LSMs) associated with different meteorological forcing and precipitation datasets can offer a moderate range of water budget variable estimates. In this context, two LSMs, Noah version 3.3 (Noah3.3) and Catchment LSM version Fortuna 2.5 (CLSMF2.5) coupled with the Hydrological Modeling and Analysis Platform (HyMAP) river routing scheme are used to produce hydrological estimates over the region. The two LSMs were forced with different combinations of two reanalysis-based meteorological datasets from the Modern-Era Retrospective analysis for Research and Applications datasets (i.e., MERRA-Land and MERRA-2) and three observation-based precipitation datasets, generating a total of 16 experiments. Modeled evapotranspiration (ET), streamflow, and terrestrial water storage estimates were evaluated against the Atmosphere-Land Exchange Inverse (ALEXI) ET, in-situ streamflow observations, and NASA Gravity Recovery and Climate Experiment (GRACE) products, respectively. Results show that CLSMF2.5 provided better representation of the water budget variables than Noah3.3 in terms of Nash-Sutcliffe coefficient when considering all meteorological forcing datasets and precipitation datasets. The model experiments forced with observation-based products, the Climate Hazards group Infrared Precipitation with Stations (CHIRPS) and the Tropical Rainfall Measuring Mission (TRMM) Multi-Satellite Precipitation Analysis (TMPA), outperform those run with MERRA-Land and MERRA-2 precipitation. The results presented in this paper would suggest that the Famine Early Warning Systems Network (FEWS NET) Land Data Assimilation System incorporate CLSMF2.5 and HyMAP routing scheme to better represent the water balance in this region.

Rainfall↗
NASA NTRS2019

Rising Above the Cloud - Toward High-Rate Delay-Tolerant Networking in Low-Earth Orbit

The High Data Rate Architecture (HiDRA) project is implementing a High-rate Delay Tolerant Networking (HDTN) capability that can support Low Earth Orbit (LEO) applications and environments. The present state of the effort, future work, and other elements of the work to date are described in this paper. This implementation is intended to support applications that run at 1+ Gbps, per the requirements of modern optical and high-frequency RF links. Uniquely, this implementation is also tuned to support relay and data trunking applications, which might require support for large numbers of small bundles per second. The design for this platform is based entirely on commercial-off-the-shelf (COTS) components, and possesses buffering capabilities in the 5 TB range. This document takes results from previous individual tests and integrates them to demonstrate results in the presence of a coherent use-case: consider a network aboard the ISS which intends to utilize an upcoming optical communications capability. For this use-case, orbital analysis software is used to analyze orbital dynamics, from which a list of access times are generated that might take in to account weather, schedule competition, etc. A variant of Contact Graph Routing (CGR) is applied to these windows to determine an optimal schedule. This schedule is then loaded into the HDTN prototype and, in conjunction with various measurement tools, a complete end-to-end analysis of HDTN's performance is conducted. Various bottlenecks (including storage) are identified: these bottlenecks are expected to help us focus our future work on the elements of the system that are most likely to present issues moving forward. Finally, we discuss possible paths for evolution beyond the present rates supported by the system, including (but not limited to) hardware acceleration.

Hylton, Alan↗