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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Evolutionary Computing Methods for Spectral Retrieval

A methodology for processing spectral images to retrieve information on underlying physical, chemical, and/or biological phenomena is based on evolutionary and related computational methods implemented in software. In a typical case, the solution (the information that one seeks to retrieve) consists of parameters of a mathematical model that represents one or more of the phenomena of interest. The methodology was developed for the initial purpose of retrieving the desired information from spectral image data acquired by remote-sensing instruments aimed at planets (including the Earth). Examples of information desired in such applications include trace gas concentrations, temperature profiles, surface types, day/night fractions, cloud/aerosol fractions, seasons, and viewing angles. The methodology is also potentially useful for retrieving information on chemical and/or biological hazards in terrestrial settings. In this methodology, one utilizes an iterative process that minimizes a fitness function indicative of the degree of dissimilarity between observed and synthetic spectral and angular data. The evolutionary computing methods that lie at the heart of this process yield a population of solutions (sets of the desired parameters) within an accuracy represented by a fitness-function value specified by the user. The evolutionary computing methods (ECM) used in this methodology are Genetic Algorithms and Simulated Annealing, both of which are well-established optimization techniques and have also been described in previous NASA Tech Briefs articles. These are embedded in a conceptual framework, represented in the architecture of the implementing software, that enables automatic retrieval of spectral and angular data and analysis of the retrieved solutions for uniqueness.

Terrile, Richard↗
NASA NTRS2004

New Material for Surface-Enhanced Raman Spectroscopy

A chemical method of synthesis and application of coating materials that are especially suitable for surface-enhanced Raman spectroscopy (SERS) has been developed. The purpose of this development is to facilitate the utilization of the inherently high sensitivity of SERS to detect chemicals of interest (analytes) in trace amounts, without need for lengthy sample preparation. Up to now, the use of SERS has not become routine because the methods available have not been able to reproduce sampling conditions and provide quantitative measurements. In contrast, the coating materials of the present method enable analysis with minimum preparation of samples, and SERS measurements made using these materials are reproducible and reversible. Moreover, unlike in methods investigated in prior efforts to implement SERS, sampling is not restricted to such specific environments as electrolytes or specific solvents. The coating materials of this method are porous glasses, formed in sol-gel processes, that contain small particles of gold or silver metal. Materials of this type can be applied to the sample-contact surfaces of a variety of sampling and sensing devices, including glass slides, glass vials, fiber-optic probes, and glass tubes. Glass vials with their insides coated according to this method are particularly convenient for SERS to detect trace chemicals in solutions: One simply puts a sample solution containing the analyte(s) into a vial, then puts the vial into a Raman spectrometer for analysis. The chemical ingredients and the physical conditions of the sol-gel process have been selected so that the porous glass formed incorporates particles of the desired metal with size(s) to match the wavelength(s) of the SERS excitation laser in order to optimize the generation of surface plasmons. The ingredients and processing conditions have further been chosen to tailor the porosity and polarity of the glass to optimize the sample flow and the interaction between the analyte(s) and the plasmon field that generates Raman photons. The porous silica network of a sol-gel glass creates a unique environment for stabilizing SERS-active metal particles. Relative to other material structures that could be considered for SERS, the porous silica network offers higher specific surface area and thus greater interaction between analyte molecules and metal particles. Efforts to perform SERS measurements with the help of sampling devices coated by this method have been successful. In tests, numerous organic and inorganic chemicals were analyzed in several solvents, including water. The results of the tests indicate that the SERS measurements were reproducible within 10 percent and linear over five orders of magnitude. One measure of the limits of detectability of chemicals in these tests was found to be a concentration of 300 parts per billion. Further development may eventually make it possible to realize the full potential sensitivity of SERS for detecting some analytes in quantities as small as a single molecule.

Farquharson, Stuart↗
NASA NTRS2006

Profiler Support for Operations at Space Launch Ranges

Accurate vertical wind profiles are essential to successful launch or landing. Wind changes can make it impossible to fly a desired trajectory or avoid dangerous vehicle loads, possibly resulting in loss of mission. Balloons take an hour to generate a profile up to 20 km, but major wind changes can occur in 20 minutes. Wind profilers have the temporal response to detect such last minute hazards. They also measure the winds directly overhead while balloons blow downwind. At the Eastern Range (ER), altitudes from 2 to 20 km are sampled by a 50-MHz profiler every 4 minutes. The surface to 3 km is sampled by five 915-MHz profilers every 15 minutes. The Range Safety office assesses the risk of potential toxic chemical dispersion. They use observational data and model output to estimate the spatial extent and concentration of substances dispersed within the boundary layer. The ER uses 915-MHz profilers as both a real time observation system and as input to dispersion models. The WR has similar plans. Wind profilers support engineering analyses for the Space Shuttle. The 50-IVl11z profiler was used recently to analyze changes in the low frequency wind and low vertical wavenumber content of wind profiles in the 3 to 15 km region of the atmosphere. The 915-MHz profiler network was used to study temporal wind change within the boundary layer.

Merceret, Francis↗
NASA NTRS2012

Laser Ablation Electrodynamic Ion Funnel for In Situ Mass Spectrometry on Mars

A front-end instrument, the laser ablation ion funnel, was developed, which would ionize rock and soil samples in the ambient Martian atmosphere, and efficiently transport the product ions into a mass spectrometer for in situ analysis. Laser ablation creates elemental ions from a solid with a high-power pulse within ambient Mars atmospheric conditions. Ions are captured and focused with an ion funnel into a mass spectrometer for analysis. The electrodynamic ion funnel consists of a series of axially concentric ring-shaped electrodes whose inside diameters (IDs) decrease over the length of the funnel. DC potentials are applied to each electrode, producing a smooth potential slope along the axial direction. Two radio-frequency (RF) AC potentials, equal in amplitude and 180 out of phase, are applied alternately to the ring electrodes. This creates an effective potential barrier along the inner surface of the electrode stack. Ions entering the funnel drift axially under the influence of the DC potential while being restricted radially by the effective potential barrier created by the applied RF. The net result is to effectively focus the ions as they traverse the length of the funnel.

Johnson, Paul V.↗
NASA NTRS2013

Advanced Water Purification System for In Situ Resource Utilization

A main goal in the field of In Situ Resource Utilization is to develop technologies that produce oxygen from regolith to provide consumables to an extraterrestrial outpost. The processes developed reduce metal oxides in the regolith to produce water, which is then electrolyzed to produce oxygen. Hydrochloric and hydrofluoric acids are byproducts of the reduction processes, which must be removed to meet electrolysis purity standards. We previously characterized Nation, a highly water selective polymeric proton-exchange membrane, as a filtration material to recover pure water from the contaminated solution. While the membranes successfully removed both acid contaminants, the removal efficiency of and water flow rate through the membranes were not sufficient to produce large volumes of electrolysis-grade water. In the present study, we investigated electrodialysis as a potential acid removal technique. Our studies have shown a rapid and significant reduction in chloride and fluoride concentrations in the feed solution, while generating a relatively small volume of concentrated waste water. Electrodialysis has shown significant promise as the primary separation technique in ISRU water purification processes.

Anthony, Stephen M.↗
NASA NTRS2014

Advanced Water Purification System for In Situ Resource Utilization Project

A main goal in the field of In Situ Resource Utilization is to develop technologies that produce oxygen from regolith to provide consumables to an extratrrestrial outpost. The processes developed reduce metal oxides in the regolith to produce water, which is then electrolyzed to produce oxygen. Hydrochloric and hydrofluoric acids are byproducts of the reduction processes, which must be removed to meet electrolysis purity standards. We previously characterized Nation, a highly water selective polymeric proton-exchange membrane, as a filtrtion material to recover pure water from the contaminated solution. While the membranes successfully removed both acid contaminants, the removal efficiency of and water flow rate through the membranes were not sufficient to produce large volumes of electrolysis-grade water. In the present study, we investigated electrodialysis as a potential acid removable technique. Our studies have show a rapid and significant reduction in chloride and fluoride concentrations in the feed solution, while generating a relatively small volume of concentrated waste water. Electrodialysis has shown significant promise as the primary separation technique in ISRU water purification processes.

Technology Portfolio System↗
NASA NTRS2015

Evaluation of Volatile Species in Green Monopropellant Project

NASA is interested in green monopropellants to replace hydrazine in reaction control systems (RCSs). Some current NASA programs require reduced vapor pressure and low toxicity monopropellant (green) and superior performance (specific impulse and density) formulations. Earlier vapor phase studies of a candidate green monopropellant at the NASA White Sands Test Facility (WSTF) showed the presence of a volatile species that warranted further investigation. The purpose of this study was to further characterize the volatile species and to evaluate it. The evaluation was with respect to whether the volatile species was an impurity or how it is formed, and to use that information to examine whether its presence as an impurity can be eliminated during formulation. The evaluation also considered whether formation of the volatile impurity could be prevented while not compromising the propellant. To reduce variables associated with evaluation of the propellant formulation as a whole, a precursor to one of the individual components in the propellant formulation was subjected to a NASA Standard 6001B Flammability, Off-gassing, and Compatibility Requirements and Test Procedures "Determination of Off-gassed Products (Test 7)". Testing took place in the NASA WSTF Molecular Desorption and Analysis Laboratory. One gram of the precursor was placed in a flask within a specimen container. After thermal conditioning for 72 +/- 1 h at 50 +/- 3 deg C (122 +/- 5 deg F), the atmosphere inside the specimen container was analyzed for off-gassed compounds by cryotrap gas chromatography-mass spectrometry (GC-MS) and fixed sample loop GC-flame ionization detection (GC-FID). The specimen container used was glass to minimize potential catalytic surfaces. The identification of compounds was difficult due to the complexity of the vapor phase concentrations and overlapping chromatographic peaks and mass spectra. However, eleven compounds were specifically identified and five compounds or classes of compounds were reported as unidentified. Quantitation of most of the compounds, including unidentified compounds, was as methane. Quantitating compounds or classes of compounds that were detected but for which specific calibration is not established as methane is in accordance with the Test 7 standard protocol. The thermal decomposition temperature of the precursor was significantly higher than the test temperature. Based on thermal decomposition temperature and on an examination of the structure and chemistry of the identified volatile species, the presence of the volatile species appears to be chemically reasonable with respect to the propellant formulation and is at this time attributed to impurities. Further examination of the overall propellant formulation process (including the individual components' synthesis processes) and process quality control (including purity of reagents and possible decomposition reactions) is indicated.

Greene, Benjamin↗
NASA NTRS2021

Carolina Coastal Plain Ecological Forecasting: Utilizing NASA Earth Observations to Map Suitable Venus Flytrap Habitat in an Effort to Inform Conservation, Seed Banking, and Reintroduction in the Carolina Coastal Plain and Sandhills Regions

Although the carnivorous plant Venus flytrap (Dionaea muscipula) is recognized globally, its native range is restricted to a small portion of the North and South Carolina Coastal Plain and Sandhills. Within this limited range, Venus flytrap populations are threatened by habitat loss, fire suppression, and poaching. NASA DEVELOP partnered with the North Carolina Botanical Garden (NCBG), the University of North Carolina Herbarium (NCU), and the North Carolina Natural Heritage Program (NCNHP) to support Venus flytrap conservation. The team developed models based on species presence data and environmental variables using the Software for Assisted Habitat Modeling (SAHM) to create a 2021 habitat suitability map for Venus flytrap. These models incorporated Earth observations collected by Landsat 8 Thermal Infrared Sensor (TIRS), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), Advanced Land Observation Satellite (ALOS) Phased Array type L-band Synthetic Aperture Radar (PALSAR), and Sentinel-2 Multispectral Instrument (MSI). To predict areas at high risk of development, the team produced a 2050 land-use change map using TerrSet Land Change Modeler. The team found potential areas of conflict between predicted habitat and forecasted future development. Many areas of suitable habitat were concentrated along the coast where development was likely to occur, placing populations there at risk of extirpation. Overlaying suitable habitat with forecasted land change also identified suitable habitats with minimal risk of development, which may serve as lasting Venus flytrap habitat. These results can inform the NCBG and NCNHP’s conservation decision-making, including targeted seed banking, reintroduction, and prioritization of enduring habitats for protection and management.

Monika Rock↗
NASA NTRSDate not supplied

Teams in Space: Knowledge Gained, but More to Explore

NASA’s Human Research Program oversees the Team Risk (i.e., Risk of Performance and Behavioral Health Decrements due to Inadequate Cooperation, Coordination, Communication and Psychosocial Adaptation within a Team). Research in this area informs all aspects of an astronaut’s career, from hiring to training to mission support, and works to address new challenges related to lunar and Mars missions. NASA’s astronaut selection process creates an astronaut corps of highly qualified, team-oriented individuals, which allows mission planners much flexibility in composing small crews for specific missions. These crews are further developed and supported through extensive training, including team skills training, and countermeasures available to the crew throughout the mission. However, in the high consequence environment of long-duration missions, team composition is complex and is not a one-time concern to be addressed pre-mission. Team factors such as team cohesion, dyadic relationships, and shared team cognition are likely to change dynamically in response to each interaction and event experienced by the individuals and the team as a whole. Thus, monitoring and optimizing team composition at a more micro level (e.g., per task) is one way to support team functioning and performance. Spaceflight teams research also includes the multi-team system of Mission Control and coordination between space-to-ground, adding another avenue in which risk might be introduced, particularly under exploration missions that experience significant communication delays. Spaceflight teams research has recently experienced a concentrated flurry of analog research over the past decade, shedding light on the many unique challenges and potential solutions to mitigate the team risk in long-duration exploration missions. However, questions still remain about how to, for example, create unobtrusive operational measures and how to advance interdisciplinary teams research and countermeasure development. We present an overview of the challenges facing teams in space, our current knowledge, and the next steps for research and spaceflight operations.

Lauren Blackwell Landon↗
NASA NTRS2022

Carolina Coastal Plain​ Ecological Forecasting

Although the carnivorous plant Venus flytrap (Dionaea muscipula) is recognized globally, its native range is restricted to a small portion of the North and South Carolina Coastal Plain and Sandhills. Within this limited range, Venus flytrap populations are threatened by habitat loss, fire suppression, and poaching. NASA DEVELOP partnered with the North Carolina Botanical Garden (NCBG), the University of North Carolina Herbarium (NCU), and the North Carolina Natural Heritage Program (NCNHP) to support Venus flytrap conservation. The team developed models based on species presence data and environmental variables using the Software for Assisted Habitat Modeling (SAHM) to create a 2021 habitat suitability map for Venus flytrap. These models incorporated Earth observations collected by Landsat 8 Thermal Infrared Sensor (TIRS), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), Advanced Land Observation Satellite (ALOS) Phased Array type L-band Synthetic Aperture Radar (PALSAR), and Sentinel-2 Multispectral Instrument (MSI). To predict areas at high risk of development, the team produced a 2050 land-use change map using TerrSet Land Change Modeler. The team found potential areas of conflict between predicted habitat and forecasted future development. Many areas of suitable habitat were concentrated along the coast where development was likely to occur, placing populations there at risk of extirpation. Overlaying suitable habitat with forecasted land change also identified suitable habitats with minimal risk of development, which may serve as lasting Venus flytrap habitat. These results can inform the NCBG and NCNHP’s conservation decision-making, including targeted seed banking, reintroduction, and prioritization of enduring habitats for protection and management.

Monika Rock↗
NASA NTRS2026

Thermal Inspection for the Assessment of Adhesively Bonded Metal Adherends

Certification of adhesively bonded structures is currently a challenge for aircraft manufacturers. The ability to certify bonds in primary structure can reduce dependence on fasteners and this will enable more efficient manufacturing. For example, drilling holes and installing fasteners in bonded joints can be a potentially significant bottleneck in airframe manufacturing. In addition, fasteners increase the airframe weight and can add stress concentration areas. Reducing fastener count can accelerate manufacturing and improve aircraft performance. NASA is currently investigating nondestructive evaluation (NDE) techniques to assess bond integrity. For example, bond thickness influences bond strength and therefore NDE techniques are being investigated to determine bond thickness. For bonded metal structures, there is a large difference in the thermal diffusivity between the 7075 aluminum alloy metal adherends and aircraft grade adhesive. Multi-layered thermal models show a large variation in the thermal response for bondline adhesive thicknesses that vary from 100 to 300 microns for adherend thicknesses of 0.163 cm. Experimental through-transmission thermal measurements reveal promise to quantitatively characterize the bondline thickness. Results were validated with X-ray computed tomography and optical microscopy measurements, and influence of porosity on the thermal model and measurements are investigated.

X-ray computed tomography↗
NASA NTRS2026

Thermal Inspection for the Assessment of Adhesively Bonded Metal Adherents

Certification of adhesively bonded structures is currently a challenge for aircraft manufacturers. The ability to certify bonds in primary structure can reduce dependence on fasteners and this will enable more efficient manufacturing. For example, drilling holes and installing fasteners in bonded joints can be a potentially significant bottleneck in airframe manufacturing. In addition, fasteners increase the airframe weight and can add stress concentration areas. Reducing fastener count can accelerate manufacturing and improve aircraft performance. NASA is currently investigating nondestructive evaluation (NDE) techniques to assess bond integrity. For example, bond thickness influences bond strength and therefore NDE techniques are being investigated to determine bond thickness. For bonded metal structures, there is a large difference in the thermal diffusivity between the 7075 aluminum alloy metal adherends and aircraft grade adhesive. Multi-layered thermal models show a large variation in the thermal response for bondline adhesive thicknesses that vary from 100 to 300 microns for adherend thicknesses of 0.163 cm. Experimental through-transmission thermal measurements reveal promise to quantitatively characterize the bondline thickness. Results were validated with X-ray computed tomography and optical microscopy measurements, and influence of porosity on the thermal model and measurements are investigated.

bondline thickness↗
DOE OSTI2021

Hydrogen Wide Area Monitoring of LH2 Releases at HSE for the PRESHLY Project

The characterization of liquid hydrogen (LH2) releases has been identified as an international research priority to expand the safe use of hydrogen as an energy carrier. Empirical field measurements such as those afforded by Hydrogen Wide Area Monitoring (HyWAM) can elucidate the behavior of LH2 releases, which can then be used to support and validate dispersion models. HyWAM can be defined as the quantitative three-dimensional spatial and temporal profiling of planned or unintentional hydrogen releases. The NREL Sensor Laboratory developed a HyWAM based upon a distributed array of hydrogen Sensors. The NREL Sensor Laboratory and Health and Safety Executive (HSE) formally committed to collaborate on profiling GH2 and LH2 releases, which allowed for the integration of the NREL HyWAM into the HSE LH2 release behavior investigation supported by the FCH JU Prenormative Research for the Safe Use of Liquid Hydrogen (PRESLHY) program. A HyWAM system consisting of 32 hydrogen measurement points and co-located temperature sensors were distributed downstream of the LH2 release apparatus developed by HSE. In addition, there were proximal wind and weather monitors. In a separate presentation at this conference "HSE SD Experimental Summary for the Characterisation, Dispersion and Electrostatic Hazards of LH2 for the PRESLHY Project" HSE researchers summarize the experimental apparatus and experimental protocols utilized in the HSE LH2 releases that were performed under the auspices of PRESLHY. To supplement the HSE presentation, this presentation will focus on the spatial and temporal behavior LH2 releases as measured by the NREL HyWAM. Correlations to ambient conditions, such as wind speed and direction, plume temperature and hydrogen concentrations will be discussed in addition to the design and performance of the NREL HyWAM, and its potential for improving hydrogen facility safety.

HYDROGEN↗
DOE OSTI2020

Zero Valent Iron for Reductive Removal of Technetium-99 from Aqueous Sulfate Solutions - 20347

This research investigates the reductive removal of technetium-99 ({sup 99}Tc) by zero valent iron (ZVI) from low activity waste (LAW) off-gas condensate simulant as a secondary treatment after recovery from vitrification planned at the Hanford Tank Waste Treatment and Immobilization Plant (WTP). Due to its high volatility, only a fraction of Tc{sup (VII)} will be incorporated into glass waste forms. Volatilized Tc will be captured by an off-gas treatment system with current plans to recycle off-gas condensate back to the vitrification facility. The scheme with off-gas recycling will increase Tc loading in the glass waste, but will also increase the concentrations of sulfate, halides, and other problematic constituents impeding overall LAW processing and increasing volume of the glass product. This study focuses on Tc{sup (VII)} removal by ZVI as a feasible pathway to minimize off-gas condensate recycling, which may result in a reduction in the volumes of LAW waste to be immobilized and subsequent cost savings. ZVI is an established treatment agent for redox-active contaminants such as trichloroethylene, nitrate, arsenic, chromium, phenol, and others. It is a commercially available and cost-effective material. Our previous experiments showed that ZVI is very efficient for the reductive removal of {sup 99}Tc. In this work we studied ZVI oxidation under aerobic conditions at pH 7 with 0.1 M Na{sub 2}SO{sub 4} solution (ionic strength, IS, 0.3 M) in the presence and absence of {sup 99}Tc. The concentration of {sup 99}Tc and the changes in pH, dissolved oxygen (DO), and oxidation-reduction potential (ORP) of the simulated solutions were monitored over 8 days. The formation of iron oxide phases was probed by X-ray diffraction (XRD). Obtained results suggest that ZVI contact time with {sup 99}Tc containing solutions for 6 hours resulted in nearly complete removal of {sup 99}Tc from the aqueous phase. XRD analysis showed that the oxidation of ZVI is rapid with formation of magnetite (Fe{sub 3}O{sub 4}) with minor percentage of goethite and maghemite. This work is a part of a larger set of studies investigating the feasibility of {sup 99}Tc reductive removal from the LAW off-gas condensate. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Phase-field modeling of radiation-induced segregation for multicomponent alloys

Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects such as intergranular corrosion and stress-assisted cracking. To better understand the phenomenon, improved models of RIS applicable to concentrated, multicomponent alloys, and mesoscale microstructures are needed. In this talk, we present a novel grand-potential-based phase-field model to account for the complete set of multicomponent kinetic and thermodynamic couplings between atoms and point defects in the Onsager transport equations. We demonstrate multiscale modeling capability by deriving the Onsager coefficient matrix from atomistic-based Kinetic Monte Carlo simulations. Model predictions and validations of RIS and the effect of defect production, grain boundary sink strength and density are demonstrated for a model FCC FeCrNi system. We also demonstrate the novel capability to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamic framework. This modeling approach overcomes certain limitations in conventional RIS models and provides a step closer towards multiscale modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1998

Analysis of Ice Nucleating Aerosol Measurements during SUCCESS: April, May 1996

This section describes our research activities during year three of this effort. In the second year, preliminary archive data sets were submitted to the SUCCESS archive. After additional analyses, final versions were prepared and submitted. These are included on the SUCCESS CD-ROM data editions that were recently released by NASA Ames. Over the range of temperature and supersaturation conditions of our measurements (15 to -40 C, and from ice saturation to approximately 15% water supersaturation), IN concentrations ranged from less than 0.1 to approximately 500 per liter, being generally greater at colder temperatures and higher supersaturations. To estimate the potential of aircraft exhaust as a source of IN, we examined data from six days of the field project when the DC-8 was following closely behind other humidity conditions of our measurements. In April 1997, a microphysical workshop was convened at NCAR to select cases for in depth analyses and to address questions about the consistency of cloud ice crystal measurements (size distributions and mass concentrations) and aerosol size distributions. We attended this meeting and contributed to the discussions. A particular concern was identified in the CN measurements. On the DC-8, CN measurements were obtained by four different investigator groups, using commercially available instrumentation. The DC-8 SUCCESS CN data showed long periods where the measurements were in substantial agreement, but there were also periods with large discrepancies. Several possible factors were identified that could help explain these discrepancies, including minimum detectable particle size, response at reduced pressures, and location of sample inlet on the aircraft.

Rogers, D. C.↗
DOE OSTI2025

Ion Transport in Concentrated Crosslinked Solid Polymer Electrolytes

Crosslinking polymers is a common approach to create mechanically stable solid materials such as polymer electrolytes for lithium batteries. In conventional liquid electrolytes, the solvent molecules move freely to accommodate the field-induced motion of ions. However, in crosslinked polymer electrolytes, the rearrangement of polymer segments is constrained by the deformation limits of the network. Herein, we develop a new transport model that accounts for both the formation of concentration gradients and the elasticity of the electrolyte. The elasticity is incorporated by adding an additional term related to the entropy of crosslinked strands to the electrochemical potential of the salt. The resulting Crosslink Model contains two adjustable parameters: $\mathcal{N}$, the average number of monomers in a strand, and λ crit , the maximum strain the network can sustain. These solid-like constraints produce singularities in the governing transport equations, fundamentally altering the concentration profiles. Plateaus in salt concentrations emerge near the electrodes, and network elasticity introduces a strain overpotential. When compared to a Baseline Model ($\mathcal{N}$ → ∞, equivalent to concentrated solution theory), which predicts steepest gradients near the electrodes, both models yield similar current–voltage relationships. Model predictions are compared to electrochemical data for a poly(ethylene oxide)-based crosslinked polymer electrolyte.

Patel, Vivaan [University of California, Berkeley,↗
DOE OSTI2020

Advanced electrolytes for fast-charging high-voltage lithium-ion batteries in wide-temperature range

LiNixMnyCo1-x-yO2 (NMC) cathode materials with Ni=0.8 have attracted great interest for application in high energy-density lithium (Li)-ion batteries (LIBs) because of their high specific capacities at high voltages. However, the practical application of Ni-rich NMC in LIBs under high charge voltages (e.g. 4.4 V and above) still faces big challenges due to the severe capacity fading, which is directly related to the instability of the cathode/electrolyte interface. In this work, we develop new localized high-concentration electrolytes (LHCEs) based on carbonate solvents, which are compatible with graphite (Gr) anode and have a high oxidation potential over 4.9 V vs. Li/Li+. The optimal LHCE enables the Gr||NMC811 cells with 2.8 mAh cm-2 cathode areal capacity loading to achieve an excellent cycling stability over 600 cycles with a capacity retention of 94.2 % under a charge cut-off voltage of 4.4 V at 25 ?C, good rate capabilities under fast charging or discharging up to 3C rate, and superior low-temperature discharge performance down to -30 ?C with a capacity retention of 85.6% at C/5 rate. The findings in this work shed light a very promising strategy to develop new electrolytes for practical high-energy LIBs with Ni-rich NMC cathodes.

Zhang, Xianhui↗