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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 NTRS2011

Generalized Fluid System Simulation Program, Version 5.0-Educational

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependent flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermofluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the point, drag and click method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids and 21 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 12 demonstrated example problems.

Majumdar, A. K.↗

NASA NTRS2011

Generalized Fluid System Simulation Program, Version 5.0-Educational. Supplemental Information for NASA/TM-2011-216470

Majumdar, A. K.↗

NASA NTRSDate not supplied

Visioning a Global Carbon Monitoring System That Can Quantify and Attribute Ocean Carbon Dioxide Removal: Where Are We Now and How Might We Get There?

As atmospheric greenhouse gas concentrations and the resulting social costs rise, it is increasingly important to conduct research on technical approaches to remove carbon dioxide from the atmosphere at the gigaton scale. One highly uncertain but perhaps plausible solution is ocean carbon dioxide (CO2) removal (CDR), which encompasses a suite of proposed techniques for increasing the net flux of CO2 from the atmosphere to the ocean. As reflected in a 2022 National Academy of Sciences report, interest in ocean CDR is rapidly growing, and new stakeholders from a wide range of fields want access to air-sea CO2 flux and ocean carbon information to understand the potential risks and benefits of ocean CDR. Moreover, there is an urgent need for research to develop a scientific basis to support these societal needs. At the same time, there is a growing need to vision a global carbon monitoring system that can quantify natural and anthropogenic perturbations in the air-sea CO2 flux to quantify and attribute the impacts of ocean CDR efforts on the ocean carbon sink. Here, we propose to present nascent efforts at the Ames Research Center to leverage NASA's unique remote sensing and computational capabilities and expertise in basic and applied Earth science to meet the needs of the ocean CDR stakeholder community as represented by the OceanVisions network. Specifically we aim to develop a global ocean CDR scenario explorer with two objectives: 1) to make quantitative estimates of the air-sea CO2 flux and its uncertainty more accessible to a wide range of users, and 2) to enable these diverse users to interactively explore the uncertain impacts on air-sea CO2 fluxes in a wide range of ocean CDR scenarios. The information would be provided to users via a public graphical user interface, and the results would be based on a new synthesis of scientific observations and knowledge in a global ocean mixed layer inverse model run on supercomputers. The proposed tool aims to fill a unique and valuable niche for users and the scientific community by balancing tradeoffs between user interests, scientific knowledge, and technical capabilities. We will conclude by visioning the potential implications for a global carbon monitoring system in a world with gigaton scale ocean CDR.

Global↗

DOE OSTI2025

Zwitterionic Photocurable Resin for High‐Resolution 3D Printing of Ultralow‐Fouling Microstructures

High‐resolution 3D printing technologies are enabling a new generation of microstructured materials for applications where biocompatibility is critical. However, most conventional 3D‐printable resins yield materials that exhibit trade‐offs between antifouling properties and mechanical robustness, limiting their applicability in living systems. In nature, zwitterionic surface groups form tightly bound hydration layers that act as effective barriers against protein and cell attachment. Inspired by this strategy, a zwitterionic acrylamide‐based photoresist—carboxybetaine di‐methacrylamide (CBDA)—is developed for projection‐based vat photopolymerization, enabling the fabrication of complex microarchitectures with exceptional antifouling properties. The bifunctional monomer allows the formation of dense, cross‐linked networks that resist swelling while maintaining a high density of zwitterionic groups. Printed structures exhibit strong resistance to protein and cell adhesion, as confirmed by porcine blood assays, alongside robust mechanical performance. As a demonstration, a tubular structure featuring a negative Poisson's ratio lattice is printed to showcase structural fidelity and versatility. This resin formulation offers a broadly applicable strategy for fabricating microscale devices and surfaces where antifouling performance and structural integrity are both essential—spanning biomedical interfaces, soft robotics, and beyond.

3D printing↗

DOE OSTI2025

Infrared spectral signatures of interfacial water at TiO 2 –electrolyte interfaces from deep potential molecular dynamics

Vibrational spectroscopy is a powerful tool for probing water at oxide–electrolyte interfaces, but its molecular interpretation can be challenging. Here, we employ deep potential long-range molecular dynamics simulations with layer-resolved spectral analysis to investigate the microscopic origins of the infrared (IR) response of water at the interface with anatase TiO 2 (101), a prototypical oxide surface. The calculated interfacial spectra exhibit characteristic modifications compared to bulk water IR spectra, including enhanced intensities, a red shifted and broadened stretching band, and a higher-frequency shoulder, in qualitative agreement with experiments. Spectral decomposition shows that these signatures originate mainly from the first interfacial water layer, dominated by surface-bound H 2 O at Ti 5C sites, with secondary contributions from the second layer. A moderate salt concentration (0.4 M NaCl) leaves both the interfacial structure and the spectra essentially unchanged, while tuning the pH strongly modulates the spectral intensity. We establish a scaling relation linking the spectral intensity to the surface water dissociation fraction and the dipole moment, both governed by interfacial electric fields. These findings provide a microscopic framework for interpreting IR spectra of oxide–electrolyte interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Optimization-Based Formulations for Short-Circuit Studies with Inverter-Interfaced Generation in PowerModelsProtection.jl

Protecting inverter-interfaced microgrids is challenging as conventional time-overcurrent protection becomes unusable due to the lack of fault current. There is a great need for novel protective relaying methods that enable the application of protection coordination on microgrids, thereby allowing for microgrids with larger areas and numbers of loads while not compromising reliable power delivery. Tools for modeling and analyzing such microgrids under fault conditions are necessary in order to help design such protective relaying and operate microgrids in a configuration that can be protected, though there is currently a lack of tools applicable to inverter-interfaced microgrids. This paper introduces the concept of applying an optimization problem formulation to the topic of inverter-interfaced microgrid fault modeling, and discusses how it can be employed both for simulating short-circuits and as a set of constraints for optimal microgrid operation to ensure protective device coordination.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1990

Multi-terabyte image storage and distribution for NASA's Hubble Space Telescope

The modular architecture, functionality, and key components of the Hubble Space Telescope Data Archive Distribution Service (DADS) are presented. DADS functions comprise archive management, catalog management, and user interface. The distributed modular architecture utilized is made up of four subsystems, including the archive, host, catalog, and the Science Operations ground System/DADS Interface Processor. All data generated by the HST are archived in DADS on 12-in. optical disks. DADS is a permanent archive with a data capacity of 30 terabytes that can be expanded to 68 terabytes. Supplementary information and stellar observations will be instantly accessible through DADS, which can collect and archive more than 3 gigabytes per day of image and support data over the lifetime of the HST. Electronic and physical media will be accessible through 140 network connections, with a catalogue to assist in data set selection.

Weller, H. W., Jr.↗

NASA NTRS1994

Re-engineering the Multimission Command System at the Jet Propulsion Laboratory

The Operations Engineering Lab (OEL) at JPL has developed the multimission command system as part of JPL's Advanced Multimission Operations System. The command system provides an advanced multimission environment for secure, concurrent commanding of multiple spacecraft. The command functions include real-time command generation, command translation and radiation, status reporting, some remote control of Deep Space Network antenna functions, and command file management. The mission-independent architecture has allowed easy adaptation to new flight projects and the system currently supports all JPL planetary missions (Voyager, Galileo, Magellan, Ulysses, Mars Pathfinder, and CASSINI). This paper will discuss the design and implementation of the command software, especially trade-offs and lessons learned from practical operational use. The lessons learned have resulted in a re-engineering of the command system, especially in its user interface and new automation capabilities. The redesign has allowed streamlining of command operations with significant improvements in productivity and ease of use. In addition, the new system has provided a command capability that works equally well for real-time operations and within a spacecraft testbed. This paper will also discuss new development work including a multimission command database toolkit, a universal command translator for sequencing and real-time commands, and incorporation of telecommand capabilities for new missions.

Alexander, Scott↗

NASA NTRS2024

Interoperability Review of Wireless Hardware in Emergency Air-To-Ground Mesh Networks

The air-to-ground network has the goal of advancing the capabilities and versatility of communications in wildfire and emergency scenarios. To ensure compatibility and keep costs low for emergency services interoperability between hardware is an important step in development of the mesh network. For the purposes of this evaluation interoperability of hardware is described as the ability for hardware from different vendors to be interchangeable within the network with minimal initial setup and no functional change from an operator’s viewpoint. This report will also focus on the features and limitations in addition to the interoperability of the major wireless hardware systems core to the function of the proposed air-to-ground mesh network. The hardware systems involved are ADS-B receivers, 3GPP Sidelink devices, mesh radios, and commercial ISM band radios. For early testing the mesh radios will be in the 900 MHz frequency range using the DoodleLabs RM-1700-22W Mesh Rider Radio as the lab reference. This report will consider and categorize desirability of features, the amount of setup required before deployment, the effect on performance characteristics from nominal and maximum load, and the ability to interface with other vender devices.

Mesh Radio↗

NASA NTRS2010

Radio-Frequency Tank Eigenmode Sensor for Propellant Quantity Gauging

Although there are several methods for determining liquid level in a tank, there are no proven methods to quickly gauge the amount of propellant in a tank while it is in low gravity or under low-settling thrust conditions where propellant sloshing is an issue. Having the ability to quickly and accurately gauge propellant tanks in low-gravity is an enabling technology that would allow a spacecraft crew or mission control to always know the amount of propellant onboard, thus increasing the chances for a successful mission. The Radio Frequency Mass Gauge (RFMG) technique measures the electromagnetic eigenmodes, or natural resonant frequencies, of a tank containing a dielectric fluid. The essential hardware components consist of an RF network analyzer that measures the reflected power from an antenna probe mounted internal to the tank. At a resonant frequency, there is a drop in the reflected power, and these inverted peaks in the reflected power spectrum are identified as the tank eigenmode frequencies using a peak-detection software algorithm. This information is passed to a pattern-matching algorithm, which compares the measured eigenmode frequencies with a database of simulated eigenmode frequencies at various fill levels. A best match between the simulated and measured frequency values occurs at some fill level, which is then reported as the gauged fill level. The database of simulated eigenmode frequencies is created by using RF simulation software to calculate the tank eigenmodes at various fill levels. The input to the simulations consists of a fairly high-fidelity tank model with proper dimensions and including internal tank hardware, the dielectric properties of the fluid, and a defined liquid/vapor interface. Because of small discrepancies between the model and actual hardware, the measured empty tank spectra and simulations are used to create a set of correction factors for each mode (typically in the range of 0.999 1.001), which effectively accounts for the small discrepancies. These correction factors are multiplied to the modes at all fill levels. By comparing several measured modes with the simulations, it is possible to accurately gauge the amount of propellant in the tank. An advantage of the RFMG approach of applying computer simulations and a pattern-matching algorithm is that the Although there are several methods for determining liquid level in a tank, there are no proven methods to quickly gauge the amount of propellant in a tank while it is in low gravity or under low-settling thrust conditions where propellant sloshing is an issue. Having the ability to quickly and accurately gauge propellant tanks in low-gravity is an enabling technology that would allow a spacecraft crew or mission control to always know the amount of propellant onboard, thus increasing the chances for a successful mission. The Radio Frequency Mass Gauge (RFMG) technique measures the electromagnetic eigenmodes, or natural resonant frequencies, of a tank containing a dielectric fluid. The essential hardware components consist of an RF network analyzer that measures the reflected power from an antenna probe mounted internal to the tank. At a resonant frequency, there is a drop in the reflected power, and these inverted peaks in the reflected power spectrum are identified as the tank eigenmode frequencies using a peak-detection software algorithm. This information is passed to a pattern-matching algorithm, which compares the measured eigenmode frequencies with a database of simulated eigenmode frequencies at various fill levels. A best match between the simulated and measured frequency values occurs at some fill level, which is then reported as the gauged fill level. The database of simulated eigenmode frequencies is created by using RF simulation software to calculate the tank eigenmodes at various fill levels. The input to the simulations consists of a fairly high-fidelity tank model with proper dimensions and including internal tank harare, the dielectric properties of the fluid, and a defined liquid/vapor interface. Because of small discrepancies between the model and actual hardware, the measured empty tank spectra and simulations are used to create a set of correction factors for each mode (typically in the range of 0.999 1.001), which effectively accounts for the small discrepancies. These correction factors are multiplied to the modes at all fill levels. By comparing several measured modes with the simulations, it is possible to accurately gauge the amount of propellant in the tank. An advantage of the RFMG approach of applying computer simulations and a pattern-matching algorithm is that the

Zimmerli, Gregory A.↗

DOE OSTI2021

Multi-scale Coupled Processes Modeling of Fractures as Porous, Interfacial and Granular Systems from Rock Images with the Numerical Manifold Method

Abstract The greatest challenges of rigorously modeling coupled hydro-mechanical processes in fractured rocks at different scales are associated with computational geometry. In addition, selections of continuous or discontinuous models, physical laws, and coupling priorities at different scales based on different geometric features determine the applicability of a numerical model for a certain type of problem. In this study, we present our multi-scale modeling capabilities that have been developed based on the numerical manifold method for analyzing coupled hydro-mechanical processes in fractured rocks. Based on their geometric features, the fractures are modeled as continua—finite-thickness porous zones, and discontinua—discontinuous interfaces and microscale asperities and granular systems. Different governing equations, physical laws, coupling priorities, and approaches for addressing fracture intersections and shearing are then applied to describe these. We applied these models to simulate coupled processes in fractured rocks using realistic geometry obtained from rock images at different scales. We first calculated shearing of a single fracture with different models and demonstrated the impacts of asperities on shearing. We then applied the continuous and discontinuous models to simulate a network of rough fractures, demonstrating that contact dynamics contribute significantly to the geometric, multi-physical evolution of systems where rough fractures are not mineral filled. For a discrete fracture network, our coupled processes modeling demonstrates that shearing of the discrete fractures can have a major impact on stress and pore pressure distribution. Lastly, we applied the discontinuous granular model to simulate evolution of a complex granular system with a deformation band, demonstrating that the deformation band can dominate contact dynamics, the structural and the stress evolution of the granular system.

58 GEOSCIENCES↗

DOE OSTI2021

Understanding the electron-water interaction at the molecular level: Integrating theory and experiment in the cluster regime

In this final technical report, we summarize our major accomplishments resulting from a combined experimental-theoretical approach that exploits the unique properties of molecular clusters to elucidate how local interactions at the molecular level drive the macroscopic behavior of materials and chemical transformations in liquids. The specific targets for our efforts have need to elucidate how charged entities are accommodated by hydrogen-bonding networks and to establish how the behavior of room temperature ionic liquids can be tailored for specific chemical applications. Because of their central importance in aqueous electrolyte chemistry, we have placed particular emphasis understanding the accommodation of excess electrons and protons by water. These surprisingly complex fundamental electrical charges play a fundamental role in a wide range of chemical and biological processes, and yet even a qualitative picture of their speciation in water and at the air-water interface has proven elusive. The main experimental diagnostic in our approach is to measure and analyze vibrational spectra of temperature and composition controlled molecular aggregates that isolate and amplify the spectral markers for local interactions that are often obscured in measurement on bulk or interfacial water. Our combined experimental-theoretical program has led to a greatly enhanced understanding of the nature of excess electrons and protons in water and in the process developed new and powerful methods of chemical analysis that are currently in use across the chemical sciences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

The Software Correlator of the Chinese VLBI Network

The software correlator of the Chinese VLBI Network (CVN) has played an irreplaceable role in the CVN routine data processing, e.g., in the Chinese lunar exploration project. This correlator will be upgraded to process geodetic and astronomical observation data. In the future, with several new stations joining the network, CVN will carry out crustal movement observations, quick UT1 measurements, astrophysical observations, and deep space exploration activities. For the geodetic or astronomical observations, we need a wide-band 10-station correlator. For spacecraft tracking, a realtime and highly reliable correlator is essential. To meet the scientific and navigation requirements of CVN, two parallel software correlators in the multiprocessor environments are under development. A high speed, 10-station prototype correlator using the mixed Pthreads and MPI (Massage Passing Interface) parallel algorithm on a computer cluster platform is being developed. Another real-time software correlator for spacecraft tracking adopts the thread-parallel technology, and it runs on the SMP (Symmetric Multiple Processor) servers. Both correlators have the characteristic of flexible structure and scalability.

Zheng, Weimin↗

NASA NTRS2013

Generalized Fluid System Simulation Program, Version 6.0

The Generalized Fluid System Simulation Program (GFSSP) is a finite-volume based general-purpose computer program for analyzing steady state and time-dependant flow rates, pressures, temperatures, and concentrations in a complex flow network. The program is capable of modeling real fluids with phase changes, compressibility, mixture thermodynamics, conjugate heat transfer between solid and fluid, fluid transients, pumps, compressors and external body forces such as gravity and centrifugal. The thermo-fluid system to be analyzed is discretized into nodes, branches, and conductors. The scalar properties such as pressure, temperature, and concentrations are calculated at nodes. Mass flow rates and heat transfer rates are computed in branches and conductors. The graphical user interface allows users to build their models using the 'point, drag, and click' method; the users can also run their models and post-process the results in the same environment. The integrated fluid library supplies thermodynamic and thermo-physical properties of 36 fluids, and 24 different resistance/source options are provided for modeling momentum sources or sinks in the branches. This Technical Memorandum illustrates the application and verification of the code through 25 demonstrated example problems.

Majumdar, A. K.↗

NASA NTRS2018

TES-8: Advanced Exo-Brake, VR and COM Experiments

The TES-8 was jettisoned from the International Space Station on January 31, 2019. As an orbital laboratory and 8th in on-going series, the design makes use of a standard set of interfaces and safety features that permit rapid re-flight. On this flight, an advanced Exo-Brake is flown with de-orbit targeting capability that will engender sample return capability from LEO platforms. A Virtual Reality data recording system uses stereo imaging and efficient data-compression with an NVIDIA GPU (Graphics Processing Unit) to permit compression and transmission of very large data files. An SDR (Software Defined Radio) will download data to the NEN (Near Earth Network) for the first time - demonstrating potential use in cis-lunar space using S-band. For the first time, a comparison will be made regarding the functionality of the Iridium and Globalstar short burst data modems - as essential communication tools for future nano-sat projects. Lastly, the 7 micro-processors and 4 cameras provide an excellent learning platform for university students and NASA young professionals.

Exo-Brake↗

NASA NTRS2015

NASA Near Earth Network (NEN), Deep Space Network (DSN) and Space Network (SN) Support of CubeSat Communications

There has been a historical trend to increase capability and drive down the Size, Weight and Power (SWAP) of satellites and that trend continues today. Small satellites, including systems conforming to the CubeSat specification, because of their low launch and development costs, are enabling new concepts and capabilities for science investigations across multiple fields of interest to NASA. NASA scientists and engineers across many of NASAs Mission Directorates and Centers are developing exciting CubeSat concepts and welcome potential partnerships for CubeSat endeavors. From a communications and tracking point of view, small satellites including CubeSats are a challenge to coordinate because of existing small spacecraft constraints, such as limited SWAP and attitude control, low power, and the potential for high numbers of operational spacecraft. The NASA Space Communications and Navigation (SCaN) Programs Near Earth Network (NEN), Deep Space Network (DSN) and the Space Network (SN) are customer driven organizations that provide comprehensive communications services for space assets including data transport between a missions orbiting satellite and its Mission Operations Center (MOC). The NASA NEN consists of multiple ground antennas. The SN consists of a constellation of geosynchronous (Earth orbiting) relay satellites, named the Tracking and Data Relay Satellite System (TDRSS). The DSN currently makes available 13 antennas at its three tracking stations located around the world for interplanetary communication. The presentation will analyze how well these space communication networks are positioned to support the emerging small satellite and CubeSat market. Recognizing the potential support, the presentation will review the basic capabilities of the NEN, DSN and SN in the context of small satellites and will present information about NEN, DSN and SN-compatible flight radios and antenna development activities at the Goddard Space Flight Center (GSFC) and across industry. The presentation will review concepts on how the SN multiple access capability could help locate CubeSats and provide a low-latency early warning system. The presentation will also present how the DSN is evolving to maximize use of its assets for interplanetary CubeSats. The critical spectrum-related topics of available and appropriate frequency bands, licensing, and coordination will be reviewed. Other key considerations, such as standardization of radio frequency interfaces and flight and ground communications hardware systems, will be addressed as such standardization may reduce the amount of time and cost required to obtain frequency authorization and perform compatibility and end-to-end testing. Examples of standardization that exist today are the NASA NEN, DSN and SN systems which have published users guides and defined frequency bands for high data rate communication, as well as conformance to CCSDS standards. The workshop session will also seek input from the workshop participants to better understand the needs of small satellite systems and to identify key development activities and operational approaches necessary to enhance communication and navigation support using NASA's NEN, DSN and SN.

Telecommunication↗

NASA NTRS1995

Flight dynamics software in a distributed network environment

As with all NASA facilities, the announcement of reduced budgets, reduced staffing, and the desire to implement smaller/quicker/cheaper missions has required the Agency's organizations to become more efficient in what they do. To accomplish these objectives, the FDD has initiated the development of the Flight Dynamics Distributed System (FDDS). The underlying philosophy of FDDS is to build an integrated system that breaks down the traditional barriers of attitude, mission planning, and navigation support software to provide a uniform approach to flight dynamics applications. Through the application of open systems concepts and state-of-the-art technologies, including object-oriented specification concepts, object-oriented software, and common user interface, communications, data management, and executive services, the FDD will reengineer most of its six million lines of code.

Jeletic, J.↗