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NASA NTRS1999

Radioprotection of Human Cell Nuclear DNA by Polyamines: Radiosensitivity of Chromatin is Influenced by Tightly Bound Spermine

The polyamines putrescine (PUT) and spermine (SPM) were examined for their ability to protect human cell Deoxyribonucleic Acid (DNA) against the formation of radiation-induced double-strand breaks (DSBs). As observed previously, under conditions where polyamines were shown to be almost completely absent, association with nuclear matrix protein into a nucleoid, and organization into chromatin structure, protected DNA from induction of DSBs by factors of 4.5 and 95, respectively. At concentrations below 1 mM, PUT or SPM provided equivalent levels of protection to deproteinized nuclear DNA, consistent with their capacity to scavenge radiation-induced radicals. At constant ionic strength, 5 mM SPM protected deproteinized DNA and nucleoid DNA and DNA in nuclear chromatin by factors of 100 and 26, respectively. At 5 mM, SPM provided 15 times greater protection of deproteinized DNA than did PUT. Under physiologically relevant conditions, 5 mM SPM protected DNA in the intact nucleus from the induction of DSBs by a factor of 2 relative to DNA in the absence of SPM. Studies of SPM binding during cellular fractionation revealed that a significant fraction of the cellular SPM is tightly bound in the nucleus but can be removed by extended washing. Thus the association of SPM with nuclear chromatin appears to be a significant contributor to the resistance of the cell's DNA to the induction of DSBs.

Warters, Raymond L.↗

NASA NTRS2002

Toward a Concept of Operations for Aviation Weather Information Implementation in the Evolving National Airspace System

The capacity of the National Airspace System is being stressed due to the limits of current technologies. Because of this, the FAA and NASA are working to develop new technologies to increase the system's capacity which enhancing safety. Adverse weather has been determined to be a major factor in aircraft accidents and fatalities and the FAA and NASA have developed programs to improve aviation weather information technologies and communications for system users The Aviation Weather Information Element of the Weather Accident Prevention Project of NASA's Aviation Safety Program is currently working to develop these technologies in coordination with the FAA and industry. This paper sets forth a theoretical approach to implement these new technologies while addressing the National Airspace System (NAS) as an evolving system with Weather Information as one of its subSystems. With this approach in place, system users will be able to acquire the type of weather information that is needed based upon the type of decision-making situation and condition that is encountered. The theoretical approach addressed in this paper takes the form of a model for weather information implementation. This model addresses the use of weather information in three decision-making situations, based upon the system user's operational perspective. The model also addresses two decision-making conditions, which are based upon the need for collaboration due to the level of support offered by the weather information provided by each new product or technology. The model is proposed for use in weather information implementation in order to provide a systems approach to the NAS. Enhancements to the NAS collaborative decision-making capabilities are also suggested.

McAdaragh, Raymon M.↗

NASA NTRS2013

Benefits Assessment for Tactical Runway Configuration Management Tool

The Tactical Runway Configuration Management (TRCM) software tool was developed to provide air traffic flow managers and supervisors with recommendations for airport configuration changes and runway usage. The objective for this study is to conduct a benefits assessment at Memphis (MEM), Dallas Fort-Worth (DFW) and New York's John F. Kennedy (JFK) airports using the TRCM tool. Results from simulations using the TRCM-generated runway configuration schedule are compared with results using historical schedules. For the 12 days of data used in this analysis, the transit time (arrival fix to spot on airport movement area for arrivals, or spot to departure fix for departures) for MEM departures is greater (7%) than for arrivals (3%); for JFK, there is a benefit for arrivals (9%) but not for departures (-2%); for DFW, arrivals show a slight benefit (1%), but this is offset by departures (-2%). Departure queue length benefits show fewer aircraft in queue for JFK (29%) and MEM (11%), but not for DFW (-13%). Fuel savings for surface operations at MEM are seen for both arrivals and departures. At JFK there are fuel savings for arrivals, but these are offset by increased fuel use for departures. In this study, no surface fuel benefits resulted for DFW. Results suggest that the TRCM algorithm requires modifications for complex surface traffic operations that can cause taxi delays. For all three airports, the average number of changes in flow direction (runway configuration) recommended by TRCM was many times greater than the historical data; TRCM would need to be adapted to a particular airport's needs, to limit the number of changes to acceptable levels. The results from this analysis indicate the TRCM tool can provide benefits at some high-capacity airports. The magnitude of these benefits depends on many airport-specific factors and would require adaptation of the TRCM tool; a detailed assessment is needed prior to determining suitability for a particular airport.

Oseguera-Lohr, Rosa↗

NASA NTRS2022

Environmental Justice Needs-Assessment For Health & Air Quality: Assessing the Needs and Capacity of Organizations Working Towards Health and Environmental Justice Related to Health and Air Quality

Health and air quality are concerns in environmental justice (EJ) work, as air contaminants and their adverse health effects inequitably impact communities that are often underrepresented in research and litigation. Previously, the NASA DEVELOP National Program partnered with organizations that focus on a variety of health and air quality concerns and is now committed to partnering directly with EJ organizations to address inequities in health and air quality through the application of Earth observations. To support the establishment of future partnerships, DEVELOP is working to identify potential partners for further EJ research in the U.S. regarding health and air quality. This project conducted a needs assessment with EJ organizations to quantify their EJ involvement, geospatial capacity, and interest in collaborating with DEVELOP. A broad literature review identified multiple factors influencing health and air quality for potential DEVELOP projects: agriculture, heat, wildfires, industry and transportation infrastructure, and miscellaneous factors (e.g., burning, urban heat island effect, smoke plumes, truck exhaust, and noise). The needs assessment showed that 22% of the organizations interviewed were primarily concerned with transportation infrastructure, 21% with industry, 19% with heat, 10% with miscellaneous factors (e.g., resource mining, COVID-19), 8% with wildfires, 7% with agriculture, and 6% with resource mining. This will help inform the DEVELOP Program's pursuit of EJ projects relating to health and air quality. The team also created a directory for communities impacted by air pollutants to connect with geospatial resources and NASA Applied Sciences personnel for future EJ health and air quality work.

Elizabeth Duran↗

DOE OSTI2016

Cost-Benefit Analysis of High-Strength Materials for Safety-Related Nuclear Reinforced Concrete Shear Walls

A numerical parametric investigation was conducted to determine the economic benefits of utilizing high-strength concrete and high-strength steel reinforcing bar (rebar) in reinforced concrete (RC) shear walls for nuclear power plant structures. Thick RC shear walls with low height-to-length aspect ratios (i.e., aspect ratios, h{sub w}/l{sub w}≤2.0, where h{sub w} is the wall height and l{sub w} is the wall length) are the most common lateral load resisting members in non-containment, safety-related nuclear structures. Typically, the walls are reinforced with multiple layers of overlapping, large-diameter vertical and horizontal rebar on each face. These heavily-reinforced walls provide large lateral stiffness and strength to prevent significant deformations and/or cracking that could compromise the integrity of the nuclear facility. However, this design adversely affects constructability as the rebar cages become highly congested. The time, labor, and materials required for this construction lead to high overall project costs. There has been a recent research thrust in the U.S. to allow high-strength rebar in non-nuclear building structures. While some of this research (e.g., steel properties, bond, anchorage) is applicable to RC structures in general, there are important differences specific to nuclear structures, such as much thicker walls (often controlled by radiation and thermal cycling), larger reinforcement ratios, and increased susceptibility to shear-controlled behavior (due to low aspect ratios). An important limiting factor for non-nuclear structures in seismic regions is the reduced deformation capacity of high-strength rebar as compared with normal-strength rebar used in current practice. Differences in seismic design philosophy lessen this limitation for nuclear structures (i.e., nuclear structures are designed more conservatively and allowed to undergo significantly smaller nonlinear displacements), making high-strength rebar a promising alternative to reinforcement currently permissible in the ACI 349-13 code requirements, which govern the design of nuclear safety-related concrete structures. To improve constructability and economy, this study investigates the benefits of using high-strength rebar [i.e., ASTM A615 Grade 550 (U.S. Grade 80); ASTM A1035 Grades 690 and 830 (U.S. Grades 100 and 120), where the grade indicates the specified yield strength of the steel in MPa (ksi)] together with high-strength concrete [compression strengths up to 138 MPa (20.0 ksi)] in RC nuclear shear walls. These strength ranges represent steel and concrete materials that are commercially available in the U.S. High-strength rebar can significantly reduce the required steel areas, thereby reducing material/fabrication costs, reducing rebar congestion (fewer/smaller bars and bar layers), and facilitating concrete consolidation and placement. Previous research on the use of high-strength rebar and/or high-strength concrete in nuclear RC structures does not exist in North America. A recent study assessed the potential of high-strength steel to reduce the rebar volume in non-nuclear building construction. In Japan, researchers investigated the use of high-strength materials in safety-related nuclear RC structures, but did not explore the economic benefits of these materials. To address this knowledge gap, the current paper describes a numerical parametric investigation on the potential cost savings of nuclear shear walls with high-strength rebar and/or concrete through comparisons against state-of-practice walls with normal-strength materials. Overall, the results demonstrate that significant economic benefits can be realized by implementing high-strength rebar and concrete in these structures. (authors)

36 MATERIALS SCIENCE↗

DOE OSTI2018

Lateral bearing capacity of hybrid monopile-friction wheel foundation for offshore wind turbines by centrifuge modelling

The hybrid monopile-friction wheel foundation is an innovative alternative for offshore wind turbines. The concept has wider adaptability and can be used as reinforcement method for existing monopiles. A series of centrifuge tests was performed to investigate the lateral bearing capacities of the hybrid foundation under monotonic loads. Five foundation models and two soil types were considered. According to the recorded responses, the hybrid foundation demonstrated better lateral behaviors that both lateral bearing capacity and stiffness are enhanced. Two analytical methods were proposed and compared with the centrifuge test results. The bearing capacity of the hybrid foundation is smaller than the sum of individual pile and friction wheel, and a reduction factor is suggested for both friction wheels. The friction wheel restrains rotations of monopile and provides extra restoring moments; their effects are idealized as equivalent moments acting on the pile head. The analytical results provide possible solutions in estimating the lateral bearing capacity of the innovative hybrid foundation system for offshore wind turbines by using traditional theories.

17 WIND ENERGY↗

DOE OSTI2018

Thermo-economic analysis of high-temperature sensible thermal storage with different ternary eutectic alkali and alkaline earth metal chlorides

Molten salt mixtures with alkali and alkaline earth metal chlorides were developed for high-temperature sensible thermal energy storage in support of concurrent efforts to develop high-temperature advanced power cycles for concentrating solar power applications. Four ternary chloride mixtures with different cation combinations (Na, K, Li, Mg) were designed using the FactSage® software, and for three of these, the eutectic point was experimentally validated by differential scanning calorimetry. Specific heat capacity measurements were conducted following the ASTM E1269 standard, and were measured between 1.18 J/g/K and 1.31 J/g/K. The mass loss of the molten chloride salts was studied under three different gas blankets of nitrogen, argon and air by thermogravimetric analysis. All the selected salt mixtures were stable up to 700 degrees C, although weight loss due to vaporisation becomes significant around this temperature due to the high vapour pressure of the chloride salt mixtures. However, it is expected that operation at a temperature up to around 750 degrees C will be feasible in a closed system with an inert environment. Additionally, removal of chemically-bonded water and salt purification may need to be considered for extending the operating temperature. In terms of economic performance, although the inclusion of LiCl in the ternary eutectic mixtures is advantageous for reducing melting point and increasing specific heat capacity, at current costs, these benefits are unlikely to be justified unless LiCl cost reduces by a factor of three. As a result, the NaCl-KCl-MgCl 2 mixture has the lowest cost per unit energy stored, at 4.5 USD/kWh.

25 ENERGY STORAGE↗

DOE OSTI2019

Path Forward for Groundwater Compliance Strategy at the Tuba City, Arizona, Disposal Site - 19581

The Tuba City, Arizona, Disposal Site is located in the Navajo Nation and near the Hopi Reservation. A uranium mill operated at the site from 1956 to 1966. During the operational period, mill tailings were slurried to an unlined impoundment. Excess slurry water was transferred to unlined evaporation ponds. Groundwater contamination resulting from the infiltration of fluids in the mill tailings impoundment and evaporation ponds was characterized in the 1990's. The site's Groundwater Compliance Action Plan was prepared in 1999, and a groundwater extraction and treatment system was constructed in 2002. Issues with aquifer productivity and treatment plant reliability led to the suspension of operations in 2014. The limitations of the remediation system prompted a realization that the site conceptual model should be reevaluated. An integrated study to better understand the geochemical and hydrologic factors affecting contaminant transport, to support the development of a new groundwater compliance strategy, was initiated in 2017 and is ongoing. In addition to the groundwater science components, the study included the evaluation of enhanced evaporation methods. The integrated evaluation will lead to refinement of the site groundwater flow model and development of a contaminant transport model and subsequent development of remedial alternatives. Remedial alternatives will be evaluated to determine a new groundwater compliance strategy. The objectives of geochemical testing were to confirm and quantify geochemical reactions controlling uranium fate and transport. These reactions are important because they control the distribution of uranium on the solid phase; potential for release from the solid phase; mobility of uranium in the water phase; and potential for uranium redistribution onto the currently uncontaminated solid phase. A key outcome is the change in understanding of the mass of uranium in the subsurface that is potentially soluble. These results contradict the previous basis for remediation: that uranium was almost exclusively present in soluble form, within the boundaries of the contaminant plume. Testing showed that uranium sorption downgradient from the plume was measurable but relatively minimal. The movement of other mill-related constituents (nitrate, sulfate, alkalinity) results in the dissolution of naturally occurring uranium and a higher than background concentration of uranium in groundwater. These constituents are not subject to sorption, and their downgradient concentrations are reduced only by diffusion and dispersion. The geochemical testing provides conceptual and quantitative information on potential plume migration. While the testing revealed the potential availability of uranium contaminant sources, the aquifer buffering capacity, pH, and presence of oxygen in groundwater may, individually or in combination, be controlling factors for plume movement. Evaluation of evaporative treatment alternatives was undertaken to determine one or more sustainable and efficient methods capable of treating 151 liters per minute (L/min) (40 gallons per minute), the annual average flow rate. In addition to establishing the baseline capacity for evaporation using the site's existing pond, prospective methods of enhanced evaporation included preheating water before inflow to the evaporation pond, vertical circulation in the pond, dye addition, and Wind-Aided Intensified Evaporation. Consideration of a 151 L/min evaporative treatment arose from previous analysis of extraction well production rates and contaminant mass removal, which indicated that about 80% contaminant removal, relative to full-scale operation of the site's groundwater treatment plant, could be achieved with a smaller capacity system. The lower-flow evaporative option also represented a potentially more sustainable treatment system in comparison to restarting or reconfiguring the groundwater treatment plant. Aquifer pumping tests were designed to develop or improve estimates of hydraulic properties such as transmissivity, horizontal and vertical hydraulic conductivity, storativity, and storage coefficient. Testing involved pumping from one well at a constant flow rate for up to 5 days while monitoring groundwater drawdown in the pumping well and five surrounding wells and then shutting down the pumping well to observe groundwater recovery. The aquifer pumping test results provide insight regarding the hydraulics of the saturated zone. The saturated zone is in a low-conductivity formation with preferential flow in the horizontal direction. The aquifer exhibits low vertical conductance. The use of AQTESOLV software indicates that the saturated zone is a layered system due to the cross-bedded sand-grain orientation within the Navajo Sandstone. These indicators of limited vertical flow provide a potential justification for the observed depth of the contaminant plume of 15-46 meters (50-150 feet) below ground surface). Given the relatively low vertical conductance, groundwater extraction should be focused on the upper portions of the saturated zone. Aquifer response testing provided an improved understanding of aquifer characteristics. However, the primary objective, to identify optimal groundwater extraction strategies, has not been fully addressed. A list of path forward activities for hydrologic analyses was developed, with an overarching objective of providing input parameters for groundwater flow and contaminant transport modeling. Defensible predictions of contaminant transport, through modeling, are critical to the development of a new site groundwater compliance strategy. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Optimal load attachment of a deeply embedded ring anchor in clay

A Deeply Embedded Ring Anchor (DERA) system has been developed as a cost-effective solution for mooring arrays of floating offshore wind turbines (FOWTs) to the seabed. The DERA boasts several key features, including its versatility in various soil types, compact size, compatibility with diverse mooring systems, multi-line potential, and robust performance even under unintentional loading conditions. While prior preliminary studies have provided valuable insights into how the DERA can enhance cost-effectiveness by offering a high load capacity, these studies have predominantly focused on optimizing anchor performance under translational horizontal and vertical loading. However, to design the DERA optimally, we must also consider its ability to handle inclined loading conditions in addition to lateral and axial loadings. Due to its shorter length compared to a conventional caisson, the DERA has less resistance to moments, making it more sensitive to horizontal load capacity and the optimal load attachment depth concerning load angle. For this reason, our study introduces an analytical approach to evaluate the effects of inclined loading on anchor performance, utilizing the previously validated upper bound plastic limit analysis (PLA) method. In investigating the optimal load attachment of the DERA, this paper conducts a parametric study to analyze how factors such as load attachment depth, anchor aspect ratio, and load inclination affect the DERA’s load capacity. Our findings indicate that PLA can serve as a valuable analytical tool for assessing the ultimate load capacity of the DERA, particularly under inclined loading conditions.

42 ENGINEERING↗

DOE OSTI2023

Harmonized geospatial data to support infrastructure siting feasibility planning for energy system transitions

Climate change, energy system transitions, and socioeconomic change are compounding influences affecting the growth of electricity demand. While energy efficiency initiatives and distributed resources can address a significant amount of this demand, the United States will likely still need new utility-scale generation resources. The energy sector uses capacity expansion planning models to determine the aggregate need for new generation, but these models are typically at the state or regional scale and are not equipped to address the wide range of location- and technology-specific issues that are increasingly a factor in power plant siting. To help address these challenges, we have developed the Geospatial Raster Input Data for Capacity Expansion Regional Feasibility (GRIDCERF) data package, a high-resolution product to evaluate siting suitability for renewable and non-renewable power plants in the conterminous United States. GRIDCERF offers 264 suitability layers for use with 56 power plant technologies in a harmonized format that can be easily ingested by geospatially-enabled modeling software allowing for customization to robustly address science objectives when evaluating varying future conditions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Analysis of predicted mean vote-based model predictive control for residential HVAC systems

Model Predictive Control (MPC) is an advanced process control method that has attracted much attention in building heating, ventilation, and air conditioning (HVAC) systems. Here, this paper analyzes the optimal precooling performance in residential buildings using MPC with two different comfort indices, namely, temperature and predicted mean vote (PMV). It first formulates, for each comfort index, an optimization problem that accounts for different factors, such as weather, home thermal condition, prediction horizon, time-of use (TOU) utility rate, and rated cooling capacity. The problem is then solved, resulting in an MPC strategy that determines the HVAC on/off control signal and minimizes energy cost over a receding time horizon while maintaining thermal comfort. The energy performance difference between temperature-based and PMV-based MPC strategies is subsequently investigated, especially in light of the interior wall surface temperature and under different combinations of the factors. Extensive simulation results demonstrated that the proposed MPC strategies are adaptive and their performances depend primarily on weather, home thermal condition, and prediction horizon, while the impact of TOU utility rate and rated cooling capacity is relatively small. Because the PMV-based MPC strategy can take advantage of the lower interior wall surface temperature due to precooling, it resulted in 8–45% cost savings for the scenarios investigated and an average increase of 0.042–0.113 in the absolute value of the PMV index compared to the temperature-based MPC strategy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Active Reconditioning of Retired Lithium-ion Battery Packs from Electric Vehicles for Second Life Applications

Utilizing the remaining capacity in retired lithium-ion (Li-ion) batteries from electric vehicles (EVs) for second-life applications has shown economic and environmental benefits. However, achieving homogeneity among the capacities of cells before their second life is critical to exploit the benefits. This article proposes a new active reconditioning approach with the potential to make short-term reconditioning of batteries before second life feasible. A control objective map determines each cell's state-of-charge (SOC) operating window based on its capacity relative to other cells. The SOC reference translates into distinct differential currents through the cells, wherein the higher-capacity cells undergo more frequent and deep charge and discharge cycles than their lower-capacity counterparts. The proposed solution achieves capacity homogeneity within the battery pack with low reconditioning time and minimal fade in the overall pack capacity. The feasibility of the reconditioning approach under varying load and environmental conditions is assessed through simulations, encompassing factors such as the number of cycles per day, depth-of-discharge, battery pack temperature, and cell resting time at different SOCs. Furthermore, the simulation model employs a battery pack with sixteen series-connected 75 Ah Kokam lithium nickel manganese cobalt oxide (NMC) cells with a 3.6% initial capacity imbalance. A reconditioning time of 1.3 months is achieved with a final capacity imbalance of 0.1% and an overall capacity fade of 0.005%, thereby confirming the viability of the reconditioning process. Moreover, experimental validation using eight retired battery cells from a Nissan Leaf demonstrates a substantial decrease in the capacity imbalance of cells from 9.4% to 2.15% within 78 days, effectively affirming the efficacy of the proposed reconditioning scheme.

25 ENERGY STORAGE↗

DOE OSTI2021

Atomic Layer Deposition for Materials-Based H2 Storage: Opportunities and Limitations

The transportation demands in our growing hydrogen (H2) economy requires robust storage systems. The current commercially implemented technology in fuel cell cars relies on the well-established technology of hydrogen gas compressed to 350-700 bar, depending on the application. The compressed gas tanks in use today are bulky and cost intensive. To address this challenge, material-based storage is one of the long-term alternatives considered and constitutes the focus of this talk. Material-based storage is broadly defined as hydrogen bound to solid materials, with its binding strength varying from physisorption to porous materials, such as zeolites and metal organic frameworks, to chemisorption in (complex) metal hydrides. The ultimate targets set by the U.S. Department of Energy for this technology include a system gravimetric capacity of 6.5 wt% and volumetric capacity of 40 g/L at 100 bar, operating temperatures ranging between -40 C and +40 C and adsorption/desorption timescales of < 5 min. Storage in the form of physisorbed or chemisorbed hydrogen has guided the materials research, which metal- organic framework and (complex) metal hydrides being the most promising materials classes. A variety of these materials have met one or more of the targets, but it has remained elusive for a single material system to meet all these stringent requirements. Nano-encapsulation and low-concentration chemical additives have previously been employed separately to overcome such challenges. Functionalization via atomic layer deposition (ALD), however, offers unique characteristics that make it suitable for both, nano-encapsulation and "doping" with low-concentration additives. This deposition technique has sub-monolayer thickness control, is highly conformal in high-surface area materials and is self-limiting, i.e., once the gas-phase precursor reacts with the available surface sites, the surface reactions stop. In this presentation, we will showcase examples where ALD, more generally vapor-phase functionalization, on (complex) metal hydrides and organic frameworks has improved the material properties for H2 storage. In our first study, Al2O3 was deposited on magnesium borohydride, Mg(BH4)2, at room temperature using trimethylaluminum (TMA) and water. From our findings, encouraging initial results were obtained: the H2 desorption temperature was lowered by 60-120 degrees C, the desorbed gravimetric H2 capacity at temperatures < 250 degrees C was doubled, and the desorption kinetics increased by a factor of ~6 compared to uncoated Mg(BH4)2. However, hydrolysis reactions caused by residual surface -OH groups from the ALD water-pulse degraded the sample substantially. Through this study, the use of TMA was observed to be highly reactive with the Mg(BH4)2 surface species, leading to the strategy of exposing the sample only to TMA. The relative mole fraction of the vapor-phase additive can be precisely controlled with the number of TMA pulses and pulse duration. By tuning these parameters, we show in our second study that 10 pulses of TMA at ambient conditions were able to decrease the H2 desorption temperature by ~100 degrees C while retaining <95 % of its H2 capacity. We applied this approach with other additives such as BBr3, TiCl4 and tetrahydrofuran, and demonstrate that this unique approach opens the door to a new class of molecular additives and catalysts which cannot easily be introduced with conventional mechano-chemical or solvent-based techniques for (complex) metal-hydrides. In the case of metal organic frameworks, ALD is a promising technique to functionalize the pores with metal atoms or functional groups able to tune the gas selectivity and binding energy, for which ~15 kJ/mol has been established as the optimal value for H2 storage in sorbent materials. Vapor-phase techniques such as ALD have numerous benefits over other functionalization tools for H2 storage materials opening innumerable opportunities to the field. To exploit these opportunities, the current limitations on room temperature and water-less ALD processes needs to be overcome which will greatly expand the possibilities of encapsulation and incorporation of additives for organic frameworks and (complex) metal hydrides.

atomic layer deposition↗

DOE OSTI2016

Influence of lithium vacancies on the polaronic transport in olivine phosphate structure

Intercalation and deintercalation of lithium ions in cathode materials are of principal to the operation of current rechargeable lithium ion batteries. The performance of lithium ion batteries highly relies on the active cathode material which includes cell potential, power/energy density, capacity, etc. An important issue in this class of material is to resolve the factors governing the electron and ion transport in olivine phosphate structure. In this class of material, there is still an open debate on the mechanism of charge transport including both polarons and lithium ions. On the one hand, this is due to the large disparity between the experimental results and the theoretical model predictions. On the other hand, this is also due to the lack of precise experimental measurement without any parasitic phases in a given cathode material. Here, we present the polaronic conduction in lithiated triphylite LiFePO{sub 4} (LFP) and delithiated heterosite FePO{sub 4} (FP) by means of broadband ac impedance spectroscopy over wide range temperatures and frequency. It is found that the LFP phase possess two orders of higher polaronic conductivity than FP phase despite having similar mobility of polarons in both phases. We show that the differences in the polaronic conductivity of two phases are due to the significant differences in concentration of polarons. It is found that the formation energy of polarons in individual phases is mainly determined by the corresponding defect state associated with it. The temperature dependent dc conductivity has been analyzed within the framework of Mott model of polaronic conduction and explored the origin of polaronic conduction mechanism in this class of material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Evaluating long-term emission impacts of large-scale electric vehicle deployment in the US using a human-Earth systems model

While large-scale adoption of electric vehicles (EVs) globally would reduce carbon dioxide (CO 2 ) and traditional air pollutant emissions from the transportation sector, emissions from the electric sector, refineries, and potentially other sources would change in response. Here, a multi-sector human-Earth systems model is used to evaluate the net long-term emission implications of large-scale EV adoption in the US over widely differing pathways of the evolution of the electric sector. Our results indicate that high EV adoption would decrease net CO 2 emissions through 2050, even for a scenario where all electric sector capacity additions through 2050 are fossil fuel technologies. Greater net CO 2 reductions would be realized for scenarios that emphasize renewables or decarbonization of electricity production. Net air pollutant emission changes in 2050 are relatively small compared to expected overall decreases from recent levels to 2050. States participating in the Regional Greenhouse Gas Initiative experience greater CO 2 and air pollutant reductions on a percentage basis. These results suggest that coordinated, multi-sector planning can greatly enhance the climate and environmental benefits of EVs. Additional factors are identified that influence the net emission impacts of EVs, including the retirement of coal capacity, refinery operations under reduced gasoline demands, and price-induced fuel switching in residential heating and in the industrial sector.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Observational benchmarks inform representation of soil organic carbon dynamics in land surface models

Abstract. Representing soil organic carbon (SOC) dynamics in Earth system models (ESMs) is a key source of uncertainty in predicting carbon–climate feedbacks. Machine learning models can help identify dominant environmental controllers and establish their functional relationships with SOC stocks. The resulting knowledge can be integrated into ESMs to reduce uncertainty and improve predictions of SOC dynamics over space and time. In this study, we used a large number of SOC field observations (n=54 000), geospatial datasets of environmental factors (n=46), and two machine learning approaches (namely random forest, RF, and generalized additive modeling, GAM) to (1) identify dominant environmental controllers of global and biome-specific SOC stocks, (2) derive functional relationships between environmental controllers and SOC stocks, and (3) compare the identified environmental controllers and predictive relationships with those in models used in Phase 6 of the Coupled Model Intercomparison Project (CMIP6). Our results showed that the diurnal temperature, drought index, cation exchange capacity, and precipitation were important observed environmental predictors of global SOC stocks. While the RF model identified 14 environmental factors that describe climatic, vegetation, and edaphic conditions as important predictors of global SOC stocks (R2=0.61, RMSE = 0.46 kg m−2), current ESMs oversimplify the relationships between environmental factors and SOC, with precipitation, temperature, and net primary productivity explaining > 96 % of the variability in ESM-modeled SOC stocks. Further, our study revealed notable disparities among the functional relationships between environmental factors and SOC stocks simulated by ESMs compared with observed relationships. To improve SOC representations in ESMs, it is imperative to incorporate additional environmental controls, such as the cation exchange capacity, and refine the functional relationships to align more closely with observations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2005

Tool for Ranking Research Options

Tool for Research Enhancement Decision Support (TREDS) is a computer program developed to assist managers in ranking options for research aboard the International Space Station (ISS). It could likely also be adapted to perform similar decision-support functions in industrial and academic settings. TREDS provides a ranking of the options, based on a quantifiable assessment of all the relevant programmatic decision factors of benefit, cost, and risk. The computation of the benefit for each option is based on a figure of merit (FOM) for ISS research capacity that incorporates both quantitative and qualitative inputs. Qualitative inputs are gathered and partly quantified by use of the time-tested analytical hierarchical process and used to set weighting factors in the FOM corresponding to priorities determined by the cognizant decision maker(s). Then by use of algorithms developed specifically for this application, TREDS adjusts the projected benefit for each option on the basis of levels of technical implementation, cost, and schedule risk. Based partly on Excel spreadsheets, TREDS provides screens for entering cost, benefit, and risk information. Drop-down boxes are provided for entry of qualitative information. TREDS produces graphical output in multiple formats that can be tailored by users.

Ortiz, James N.↗

DOE OSTI2020

Multifaceted drivers for onshore wind energy repowering and their implications for energy transition

Wind energy is anticipated to become a backbone of the future energy system. Ageing wind turbine fleets, increasing land-use constraints and rising relevance of societal factors make the deployment of land-based (onshore) wind energy ever more complicated. Consequently, repowering is expected to become a rapidly growing point of focus for the wind industry. Here we propose a more holistic and socially informed project-level approach to analyse repowering activity that enables a more robust understanding of the process and potentials. We demonstrate that for wind pioneer in Denmark, only 67% of the capacity removed in repowering projects was related to the physical space needed for a new turbine. Other factors that drive repowering include regulation (for example, noise-related, 8–17%), development principles (for example, aesthetics, 7–20%) and political bargaining (4–13%). The recognition of repowering as a negotiated process between host communities and wind developers will probably be critical to unlock the full potential of wind energy in the future.

17 WIND ENERGY↗