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

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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Expression and characterization of the Plasmodium translocon of the exported proteins component EXP2

The malaria parasite Plasmodium falciparum requires the Plasmodium translocon of exported proteins (PTEX) to proliferate in human red blood cells. During the blood stages of malaria, several hundred parasite-encoded proteins are exported from the parasite into the cytosol of red blood cells. PTEX is the translocon for protein export and comprises 5 proteins: EXP2, PTEX150, PTEX88, Hsp101 and TRX2. Among them, EXP2 is thought to constitute the transmembrane pore, whereas the other components seem to play a role in unfolding the luggage proteins or providing a driving force. However, detailed functional and structural characterizations of PTEX proteins have not been performed. In this study, we expressed and characterized the membrane-associated component EXP2. Because expression of EXP2 is lethal to E. coli, EXP2 was expressed as a fusion protein with GST, and the recombinant EXP2 was obtained by protease digestion. The recombinant EXP2 formed pores in bilayer lipid membranes. The inner diameter of the pore was estimated to be approximately 3.5 nm based on electron microscopy images and channel currents. From this size and the molecular mass as determined by size exclusion chromatography and blue native polyacrylamide gel electrophoresis, we determined that the pore comprises approximately 10–12 EXP2 subunits. However, there is a possibility that the pore structure is different in the PTEX complex. These results provide important insights in the protein transport mechanism of PTEX, which will aid in developing new drugs targeting PTEX.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Beyond Component Optimization: Systems Level Biodesign for Lanthanide Recovery

Global demand for lanthanides (Ln) is projected to rise sharply over the next decade, while geographically concentrated supply chains and the low concentrations and matrix complexity of secondary feedstocks limit the reach of conventional hydro- and pyrometallurgical separation. Engineered biological systems offer a selective, low-energy alternative, and component-level advances in Ln-binding proteins, AI-designed selective scaffolds, and cell-surface display platforms now rival synthetic chelators in affinity and selectivity. These components, however, remain functionally isolated. Currently, there are no engineered chassis coupling recognition, intracellular trafficking, accumulation, and controlled release into an end-to-end pipeline. Here, we outline how new biodesign strategies and chassis selection must move beyond bioleaching to encompass the full recovery pathway. Achieving this requires integrating AI/ML-guided design, genome-scale build tools, high-throughput phenotyping, and biophysical transport modeling within a Design–Build–Test–Learn cycle tuned to recognition, trafficking, accumulation, and release.

Biodesign↗
DOE OSTI2023

The hazard components of representative key risks. The physical climate perspective

The framework of Representative Key Risks (RKRs) has been adopted by the Intergovernmental Panel on Climate Change Working Group II in order to categorize, assess and communicate a wide range of regional and sectoral key risks, expected to become severe as a consequence of the potentially detrimental convergence of changing climate conditions, exposure and vulnerability of human and natural systems, and responses through (mal)adaptation measures. Other papers in this special issue treat each of eight RKRs by holistically assessing their current status and future evolution as a result of this convergence. However, their treatment cannot always organize such assessment according to a systematic gradation of climatic changes, often times having to extrapolate the big-picture evolution of risk from either qualitative effects of “low” medium” and “high” warming, or limited/focused analysis of the consequences of particular mitigation choices (e.g., benefits of limiting warming to 1.5 or 2C). In this study we offer as systematic a representation as possible – given current literature and assessments – of the future evolution of the hazard components of RKRs. We draw on the assessment of changes in climatic impact-drivers relevant to RKRs described in the 6th Assessment Report by Working Group 1 (WGI) supplemented when needed by more recent literature. We identify the relevant hazards for each RKR, based upon the WGII authors’ assessment, and we report on their current state and expected future changes in magnitude, intensity and/or frequency, linking these changes to Global Warming Levels to the extent possible. For some of these quantities - like regional trends in oceanic and atmospheric temperature and precipitation, some heat and precipitation extremes, permafrost thaw and Northern Hemisphere snow cover - a strong and quantitative relationship with global average temperature change has been assessed. For others - like frequency and intensity of tropical cyclones and extra-tropical storms, and fire weather - the link to increasing global temperatures can only be described qualitatively. For some processes - like the behavior of ice-sheets, or changes in circulation dynamics - large uncertainties about the effects of different levels of warming remain, and for a few others - like ocean pH and air pollution - the composition of the scenario of anthropogenic emissions is most relevant, rather than the warming reached. In almost all cases, however, the basic message remains that every small increment in CO2 concentration in the atmosphere and associated warming will bring changes in climate phenomena that will contribute to increasing risk of impacts on human and natural systems when these changes happen in conjunction with these systems’ conditions of exposure and vulnerability, and in lack of effective adaptation. Our picture of the evolution of RKR-relevant climatic impact-drivers complements and enriches the treatment of RKRs in the other papers in at least two ways: by filling in an often only cursory or limited representation of the physical climate aspects driving impacts, and by providing a fuller representation of their future possible evolution which represents an important component – if never the only one – of the potential future evolution of risk severity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

A method for evaluating the funding of components of natural resource and conservation projects

Many public and private entities such as government agencies and private foundations have missions related to the improvement, protection, and sustainability of the environment. In pursuit of their missions, they fund projects with related outcomes. Typically, the funding scene consists of scarce funding dollars for the many project requests. In light of funding limitations and funder's search for innovative funding schemes, a method to support the allocation of scarce dollars among project components is presented. The proposed scheme has similarities to methods in the project selection literature but differs in its focus on project components and its connection to and enumeration of the universe of funding possibilities. The value of having access to the universe is demonstrated with illustrations. The presentation includes Excel implementations that should appeal to a broad spectrum of project evaluators and reviewers. Access to the space of funding possibilities facilitates a rich analysis of funding alternatives. - Highlights: • Method is given for allocating scarce funding dollars among competing projects. • Allocations are made to fund parts of projects • Proposed method provides access to the universe of funding possibilities. • Proposed method facilitates a rich analysis of funding possibilities. • Excel spreadsheet implementations are provided.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Enhancing the discussion of alternatives in EIA using principle component analysis leads to improved public involvement

The purpose of this study is to show the effectiveness of principle component analysis (PCA) as a method of alternatives analysis useful for improving the discussion of alternatives and public involvement. This study examined public consultations by applying quantitative text analysis (QTA) to the minutes of meetings and showed a positive correlation between the discussion of alternatives and the sense of public involvement. The discussion of alternatives may improve public involvement. A table of multiple criteria analysis for alternatives with detailed scores may exclude the public from involvement due to the general public's limited capacity to understand the mathematical algorithm and to process too much information. PCA allowed for the reduction of multiple criteria down to a small number of uncorrelated variables (principle components), a display of the merits and demerits of the alternatives, and potentially made the identification of preferable alternatives by the stakeholders easier. PCA is likely to enhance the discussion of alternatives and as a result, lead to improved public involvement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Improvement of a mixture experiment model relating the component proportions to the size of nanonized itraconazole particles in extemporary suspensions

A paper by Foglio Bonda et al. published previously in this journal (2016, Vol. 83, pp. 175–183) discussed the use of mixture experiment design and modeling methods to study how the proportions of three components in an extemporaneous oral suspension affected the mean diameter of drug particles (Z ave ). The three components were itraconazole (ITZ), Tween 20 (TW20), and Methocel® E5 (E5). This commentary addresses some errors and other issues in the previous paper, and also discusses an improved model relating proportions of ITZ, TW20, and E5 to Z ave . The improved model contains six of the 10 terms in the full-cubic mixture model, which were selected using a different cross-validation procedure than used in the previous paper. In conclusion, compared to the four-term model presented in the previous paper, the improved model fit the data better, had excellent cross-validation performance, and the predicted Z ave of a validation point was within model uncertainty of the measured value.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Regional patterns in hydrologic response, a new three-component metric for hydrograph analysis and implications for ecohydrology, Northwest Volcanic Aquifer Study Area, USA

Spatial patterns of hydrologic response were examined for the Northwest Volcanic Aquifer Study Area (NVASA). The utility of established hydrograph-separation methods for assessing hydrologic response in permeable volcanic terranes was assessed and a new three-component metric for hydrograph analysis was developed. The new metric, which partitions streamflow into subcomponents defined by the timescales of hydrologic response (e.g., fast-runoff, intermediate-interflow and slow-baseflow), was used to gain a fundamental understanding of the regional hydrology, investigate sub-regional differences, influencing factors, and ecohydrological implications. The combined effects of NVASA’s physiography, climate and geology create a strongly coupled surface-groundwater system that produces copious baseflow and limited quantities of runoff and interflow. Patterns of hydrologic response are influenced by the type and rate of precipitation and permeability of the underlying geology. Under variable precipitation conditions the hydrologic response of volcanic terranes with similar permeability and subsurface-storage capacity can be significantly different. From a water management and ecohydrology perspective, understanding regional patterns of hydrologic response and sub-regional differences is fundamental. Results indicate that minimum-flow methods provide the most conservative estimate of baseflow and may be the most robust for filtering out snowmelt bias in baseflow estimates. Baseflow contributes ~75% of the perennial streamflow across the NVASA and represents a critical component of the regional water supply that provides critical cold-water habitat.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Component-Level Analysis of Heating and Cooling Loads in the U.S. Residential Building Stock

The residential building sector accounts for a substantial portion of total energy consumption in the United States and offers a significant opportunity for energy reduction and decarbonization through improvements in energy efficiency. Heating and air conditioning are the primary contributors to residential energy usage and electricity system peak demand. However, due to the diversity of the housing stock and the complexity of factors affecting heating and cooling demand, identifying the relative contributions to heating and cooling loads poses challenges. To address this, we applied the ResStock analysis tool to simulate 550,000 building energy models, providing statistical representation of residential buildings in the contiguous United States. We introduced outputs that quantified the heating and cooling influence of different components of a home, such as air leakage, envelope components (ceilings, walls, windows, foundations), internal heat gains from people, lighting, plug loads, and duct losses and gains. Leveraging the granularity of ResStock, we present a dataset to enable deeper understanding of the contributors to heating and cooling loads as a function of housing characteristics such as location, envelope efficiency, and building type. This work aims to support prioritization of research and development and informed decision-making for residential building decarbonization.

building simulation↗
DOE OSTI2018

Impact of wastewater effluent containing aged nanoparticles and other components on biological activities of the soil microbiome, Arabidopsis plants, and earthworms

Highlights: • First study on impact of reclaimed wastewater effluent on a soil micro-ecosystem. • Presence of nanoparticles and metals were detected in the effluent. • Biomass of microorganisms, plants, and earthworms were not significantly affected. • Arabidopsis thaliana had a noticeable shortened life cycle. • The abundance of Cyanobacteria in effluent irrigated soil was increased by 12.5%. The amount of engineered nanomaterials (ENMs) in the environment has been increasing due to their industrial and commercial applications. Different types of metallic nanoparticles (NPs) have been detected in effluents from wastewater treatment plants (WWTPs). The effluents have been reclaimed for crop irrigation in many arid and semi-arid areas. Here, a soil micro-ecosystem was established including a microbiome, 4 Arabidopsis thaliana plants, and 3 Eisenia fetida earthworms, for a duration of 95 days. The impact of wastewater effluent (WE) containing aged NPs was studied. WE was taken from a local WWTP and exhibited the presence of Ti, Ag, and Zn up to 97.0 ± 9.4, 27.4 ± 3.9, and 4.1 ± 3.6 µg/L, respectively, as well as the presence of nanoscale particles (1–100 nm in diameter). The plants were irrigated with WE or deionized water (DIW). After 95 days, significantly higher concentrations of extractable Ti and Zn (439.2 ± 24.4 and 9.0 ± 0.5 mg/kg, respectively) were found in WE-irrigated soil than those in DIW-irrigated soil (161.2 ± 2.1 and 4.0 ± 0.1 mg/kg). The extractable Ag concentrations did not differ significantly between the WE- and DIW-irrigated soil. Although microbial biomass carbon and nitrogen were not significantly reduced, the population distribution of the microbial communities was shifted in WE-irrigated soil compared to the control. The abundance of cyanobacteria (Cyanophyta) was increased by 12.5% in the WE-irrigated soil as manifested mainly by an increase of Trichodesmium spp., and the abundance of unknown archaea was enhanced from 26.7% in the control to 40.5% in the WE-irrigated soil. The biomasses of A. thaliana and E. fetida were not significantly changed by WE exposure. However, A. thaliana had a noticeable shortened life cycle, and corrected total cell fluorescence was much higher in the roots of WE-irrigated plants compared to the control. These impacts on the soil micro-ecosystem may have resulted from the aged NPs and/or the metal ions released from these NPs, as well as other components in the WE. Taken together, these results should help inform the reuse of WE containing aged NPs and other components in sustainable agriculture.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Main components of PM10 in an area influenced by a cement plant in Catalonia, Spain: Seasonal and daily variations

Highlights: • Constituents and main components of airborne PM{sub 10} near a cement plant were studied. • A clear seasonality was found, with higher levels in winter. • A daily pattern was not observed, when comparing weekdays and weekends. • Road traffic had a significant contribution to PM{sub 10} levels. Particulate matter (PM) composition has a key role in a wide range of health outcomes, such as asthma, chronic obstructive pulmonary disease, lung cancer, cardiovascular disease, and death, among others. Montcada i Reixac, a municipality located in the Barcelona metropolitan area (Catalonia, Spain), for its location and orography, is an interesting case- study to investigate air pollution. The area is also characterized by the presence of different industrial emission sources, including a cement factory and a large waste management plant, as well as an intense traffic. In this study, PM{sub 10} levels, trace elements, ions, and carbonaceous particles were determined for a long time period (2013–2016) in this highly polluted area. PM{sub 10} samples were collected during six consecutive days in two campaigns (cold and warm) per year. A number of elements (As, Ba, Be, Bi, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, Hf, Hg, Ho, K, La, Li, Hg, Mg, Mn, Mo, Nb, Nd, Ni, Pb, Pr, Rb, Sb, Sc, Se, Sm, Sn, Sr, Tb, Th, Ti, Tl, U, V, W, Y, Yb, and Zr), ions (Cl{sup -}, SO{sub 4}{sup 2-}, NO{sub 3}{sup -}, and NH{sub 4}{sup +}), and carbonaceous content (total carbon, organic plus elemental carbon, and CO{sub 3}{sup 2-}), were analysed. These data were used to identify the PM{sub 10} main components: mineral matter, sea spray, secondary inorganic aerosols, organic matter plus elemental carbon, trace elements or indeterminate fraction. Although a clear seasonality (cold vs. warm periods) was found, there were no differences between working days and weekends. Obviously, the cement plant influences the surrounding environment. However, no differences in trace elements related with the cement plant activity (Al, Ca, Ni and V) between weekdays and weekends were noted. However, some traffic-related elements (i.e., Co, Cr, Mn, and Sb) showed significantly higher concentrations in weekdays.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Experiment attributes to establish tube with twisted tape insert performance cooling plasma facing components

The modeling capability for tubes with twisted tape inserts is reviewed with reference to the application of cooling plasma facing components in magnetic confinement fusion devices. The history of experiments examining the cooling performance of tubes with twisted tape inserts is reviewed with emphasis on the manner of heating, flow stability limits and the details of the test section and fluid delivery system. Models for heat transfer, burnout, and onset of net vapor generation in straight tube flows and tube with twisted tape are compared. As a result, the gaps in knowledge required to establish performance limits of the plasma facing components are identified and attributes of an experiment to close those gaps are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Assessment of BISON capabilities for component-level prediction of tritium transport in fusion and fission applications

Here we assessed the hydrogen migration and redistribution model implemented in the BISON fuel performance code for component-level tritium transport applications in fusion and fission example scenarios. We developed BISON models of an ITER heat exchanger, light water reactor fuel cladding, and a fluoride salt cooled high temperature reactor heat exchanger. Reasonable agreement between reported values in reference studies and BISON predictions demonstrated the ability of the BISON models to predict tritium transport behavior through steel materials. Next, sensitivity and uncertainty analysis was used to understand key parameter sensitivities within the BISON model for evaluation of tritium migration and redistribution. . The sensitivity analysis showed that the diffusivity activation energy was the most important parameter and that the heat of transport was the least important parameter for tritium migration in steels. Overall, the capabilities of the BISON code for component level modeling of tritium transport are promising.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Unsupervised learning from three-component accelerometer data to monitor the spatiotemporal evolution of meso-scale hydraulic fractures

Enhanced geothermal systems can provide a substantial share of the global energy demand. There exist several hurdles in the engineering implementations of such geothermal systems. One such hurdle is the accurate monitoring of the fracture networks created in subsurface through hydraulic stimulation of these systems. Micro seismicity associated with the stimulation is the primary means to locate the event hypocenters for estimating the stimulated rock volume. Existing methods for location the hypocenters are restricted to only the highest amplitude impulsive signals that are simultaneously detected on several sensors. Consequently, a large portion (usually ~99%) of the measurements are left unused. In this paper, an unsupervised manifold-approximation followed by clustering of 3-component accelerometer data is used to analyze the seismicity recorded on a monitoring well. With this method, a larger portion of the measured signal is used for the monitoring of the hydraulic fracture network. We analyze the EGS Collab experiment 1 microseismic data, recorded at the Sanford Underground Research Facility, South Dakota. Using the data from a single three-component accelerometer, the polarization features viz. Azimuth, incidence, rectilinearity, and planarity are used as inputs for the unsupervised manifold approximation followed by clustering. Our study shows that density-based clusters in the projected 3D space correspond to distinct types of hydraulically fractured zones around the injection point. Finally, we show that the temporal evolution of these clusters can be used to track fracture creation and propagation.

58 GEOSCIENCES↗
DOE OSTI2015

Hypercellularity Components of Glioblastoma Identified by High b-Value Diffusion-Weighted Imaging

Purpose: Use of conventional magnetic resonance imaging (MRI) for target definition may expose glioblastomas (GB) to inadequate radiation dose coverage of the nonenhanced hypercellular subvolume. This study aimed to develop a technique to identify the hypercellular components of GB by using high b-value diffusion-weighted imaging (DWI) and to investigate its relationship with the prescribed 95% isodose volume (PDV) and progression-free survival (PFS). Methods and Materials: Twenty-one patients with GB underwent chemoradiation therapy post-resection and biopsy. Radiation therapy (RT) treatment planning was based upon conventional MRI. Pre-RT DWIs were acquired in 3 orthogonal directions with b-values of 0, 1000, and 3000 s/mm{sup 2}. Hypercellularity volume (HCV) was defined on the high b-value (3000 s/mm{sup 2}) DWI by a threshold method. Nonenhanced signified regions not covered by the Gd-enhanced gross tumor volume (GTV-Gd) on T1-weighted images. The PDV was used to evaluate spatial coverage of the HCV by the dose plan. Association between HCV and PFS or other clinical covariates were assessed using univariate proportional hazards regression models. Results: HCVs and nonenhanced HCVs varied from 0.58 to 67 cm{sup 3} (median: 9.8 cm{sup 3}) and 0.15 to 60 cm{sup 3} (median: 2.5 cm{sup 3}), respectively. Fourteen patients had incomplete dose coverage of the HCV, 6 of whom had >1 cm{sup 3} HCV missed by the 95% PDV (range: 1.01-25.4 cm{sup 3}). Of the 15 patients who progressed, 5 progressed earlier, within 6 months post-RT, and 10 patients afterward. Pre-RT HCVs within recurrent GTVs-Gd were 78% (range: 65%-89%) for the 5 earliest progressions but lower, 53% (range: 0%-85%), for the later progressions. HCV and nonenhanced HCV were significant negative prognostic indicators for PFS (P<.002 and P<.01, respectively). The hypercellularity subvolume not covered by the 95% PDV was a significant negative predictor for PFS (P<.05). Conclusions: High b-value DWI identifies the hypercellular components of GB and could aid in RT target volume definition. Future studies will allow us to investigate the role of high b-value DWI in identifying radiation boost volumes and diagnosing progression.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM), and AM has been increasingly adopted by aircraft component manufacturers for lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integrates engineering criteria, life-cycle environmental data, aircraft fleet stock and fuel use models under different AM adoption scenarios. Estimated fleet-wide life-cycle primary energy savings at most reach 70-173 million GJ/year in 2050, with cumulative savings of 1.2–2.8 billion GJ. Associated cumulative GHG emission reductions were estimated at 92.1–215.0 million metric tons. In addition, thousands of tons of aluminum, titanium and nickel alloys could be potentially saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Unconditionally energy stable time stepping scheme for Cahn–Morral equation: Application to multi-component spinodal decomposition and optimal space tiling

An unconditionally energy stable time stepping scheme is introduced to solve Cahn–Morral-like equations in the present study. It is constructed based on the combination of David Eyre's time stepping scheme and Schur complement approach. Although the presented method is general and independent of the choice of homogeneous free energy density function term, logarithmic and polynomial energy functions are specifically considered in this paper. The method is applied to study the spinodal decomposition in multi-component systems and optimal space tiling problems. A penalization strategy is developed, in the case of later problem, to avoid trivial solutions. Extensive numerical experiments demonstrate the success and performance of the presented method. According to the numerical results, the method is convergent and energy stable, independent of the choice of time stepsize. Its MATLAB implementation is included in the appendix for the numerical evaluation of algorithm and reproduction of the presented results. -- Highlights: •Extension of Eyre's convex–concave splitting scheme to multiphase systems. •Efficient solution of spinodal decomposition in multi-component systems. •Efficient solution of least perimeter periodic space partitioning problem. •Developing a penalization strategy to avoid trivial solutions. •Presentation of MATLAB implementation of the introduced algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A potential emerging issue concerning repair welding of out-of-core PWR components involving tritium exposure and 3 He retention

This paper identifies a potential but previously unrecognized risk of helium-induced embrittlement and cracking during repair welding of out-of-core pressurized water reactor (PWR) components exposed to tritium-contaminated coolant. While previous weldability concerns centered on 4 He accumulation in neutron-irradiated alloys located within the in-core or near-core regions, new measurements show that 3 He generated by tritium decay can accumulate in out-of-core components. Because hydrogen isotopes readily diffuse to grain boundaries and become trapped there, significant 3 He generation at grain boundaries may lead to cracking during weld repairs. Initial data from far-below-core PWR flux thimble tubes confirm the presence of 3 He levels above known cracking thresholds for repair welds. In conclusion, these findings indicate that out-of-core regions should be considered when defining safe weld repair windows in reactors operating for 60–100 years.

Extended PWR lifetimes↗
DOE OSTI2016

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components.

The formation and continuous growth of a solid electrolyte interphase (SEI) layer are responsible for the irreversible capacity loss of batteries in the initial and subsequent cycles, respectively. In this article, the electron tunneling barriers from Li metal through three insulating SEI components, namely Li 2 CO 3 , LiF and Li 3 PO 4 , are computed by density function theory (DFT) approaches. Based on electron tunneling theory, it is estimated that sufficient to block electron tunneling. It is also found that the band gap decreases under tension while the work function remains the same, and thus the tunneling barrier decreases under tension and increases under compression. A new parameter, η, characterizing the average distances between anions, is proposed to unify the variation of band gap with strain under different loading conditions into a single linear function of η. An analytical model based on the tunneling results is developed to connect the irreversible capacity loss, due to the Li ions consumed in forming these SEI component layers on the surface of negative electrodes. As a result, the agreement between the model predictions and experimental results suggests that only the initial irreversible capacity loss is due to the self-limiting electron tunneling property of the SEI.

25 ENERGY STORAGE↗