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DOE OSTI2015

Analyzing degradation effects of organic light-emitting diodes via transient optical and electrical measurements

Although the long-term stability of organic light-emitting diodes (OLEDs) under electrical operation made significant progress in recent years, the fundamental underlying mechanisms of the efficiency decrease during operation are not well understood. Hence, we present a comprehensive degradation study of an OLED structure comprising the well-known green phosphorescent emitter Ir(ppy){sub 3}. We use transient methods to analyze both electrical and optical changes during an accelerated aging protocol. Combining the results of displacement current measurements with time-resolved investigation of the excited states lifetimes of the emitter allows for a correlation of electrical (e.g., increase of the driving voltage due to trap formation) and optical (e.g., decrease of light-output) changes induced by degradation. Therewith, it is possible to identify two mechanisms resulting in the drop of the luminance: a decrease of the radiative quantum efficiency of the emitting system due to triplet-polaron-quenching at trapped charge carriers and a modified charge carrier injection and transport, as well as trap-assisted non-radiative recombination resulting in a deterioration of the charge carrier balance of the device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Mass density fluctuations in quantum and classical descriptions of liquid water

First principles molecular dynamics simulation protocol is established using revised functional of Perdew-Burke-Ernzerhof (revPBE) in conjunction with Grimme's third generation of dispersion (D3) correction to describe properties of water at ambient conditions. This study also demonstrates the consistency of the structure of water across both isobaric (NpT) and isothermal (NVT) ensembles. Going beyond the standard structural benchmarks for liquid water, we compute properties that are connected to both local structure and mass density fluctuations that are related to concepts of solvation and hydrophobicity. Finally, we directly compare our revPBE results to the Becke-Lee-Yang-Parr (BLYP) plus Grimme dispersion corrections (D2) and both the empirical fixed charged model (SPC/E) and many body interaction potential model (MB-pol) to further our understanding of how the computed properties herein depend on the form of the interaction potential.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2010

Teleportation of squeezing: Optimization using non-Gaussian resources

We study the continuous-variable quantum teleportation of states, statistical moments of observables, and scale parameters such as squeezing. We investigate the problem both in ideal and imperfect Vaidman-Braunstein-Kimble protocol setups. We show how the teleportation fidelity is maximized and the difference between output and input variances is minimized by using suitably optimized entangled resources. Specifically, we consider the teleportation of coherent squeezed states, exploiting squeezed Bell states as entangled resources. This class of non-Gaussian states, introduced by Illuminati and co-workers [F. Dell'Anno, S. De Siena, L. Albano, and F. Illuminati, Phys. Rev. A 76, 022301 (2007); F. Dell'Anno, S. De Siena, and F. Illuminati, ibid. 81, 012333 (2010)], includes photon-added and photon-subtracted squeezed states as special cases. At variance with the case of entangled Gaussian resources, the use of entangled non-Gaussian squeezed Bell resources allows one to choose different optimization procedures that lead to inequivalent results. Performing two independent optimization procedures, one can either maximize the state teleportation fidelity, or minimize the difference between input and output quadrature variances. The two different procedures are compared depending on the degrees of displacement and squeezing of the input states and on the working conditions in ideal and nonideal setups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Rate analysis for a hybrid quantum repeater

We present a detailed rate analysis for a hybrid quantum repeater assuming perfect memories and using optimal probabilistic entanglement generation and deterministic swapping routines. The hybrid quantum repeater protocol is based on atomic qubit-entanglement distribution through optical coherent-state communication. An exact, analytical formula for the rates of entanglement generation in quantum repeaters is derived, including a study on the impacts of entanglement purification and multiplexing strategies. More specifically, we consider scenarios with as little purification as possible and we show that for sufficiently low local losses, such purifications are still more powerful than multiplexing. In a possible experimental scenario, our hybrid system can create near-maximally entangled (F=0.98) pairs over a distance of 1280 km at rates of the order of 100 Hz.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Studying microbially induced corrosion on glass using ToF-SIMS

Microbially induced corrosion (MIC) is an emerging topic that has huge environmental impacts, such as long-term evaluation of microbial interactions with radioactive waste glass, environmental cleanup and disposal of radioactive material, and weathering effects of microbes. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), a powerful mass spectral imaging technique with high surface sensitivity, mass resolution, and mass accuracy, can be used to study biofilm effects on different substrates. Understanding how to prepare biofilms on MIC susceptible substrates is critical for proper analysis via ToF-SIMS. We present here a step-by-step protocol for preparing bacterial biofilms for ToF-SIMS analysis, comparing three biofilm preparation techniques: no desalination, centrifugal spinning (CS), and water submersion (WS). Comparisons of two desalinating methods, CS and WS, show a decrease in the media peaks up to 99% using CS and 55% using WS, respectively. Proper desalination methods also can increase biological signals by over four times for fatty acids using WS, for example. ToF-SIMS spectral results show chemical compositional changes of the glass exposed in a Paenibacillus polymyxa SCE2 biofilm, indicating its capability to probe microbiologically induced corrosion of solid surfaces. This represents the proper desalination technique to use without significantly altering biofilm structure and substrate for ToF-SIMS analysis. ToF-SIMS spectral results showed chemical compositional changes of the glass exposed by a Paenibacillus bacterial biofilm over 3-month inoculation. Finally, possible MIC products include various phosphate phase molecules not observed in any control samples with the highest percent increases when experimental samples were compared with biofilm control samples.

36 MATERIALS SCIENCE↗

DOE OSTI2011

High Extraction Phosphors for Solid State Lighting

We have developed high-index, high efficiency bulk luminescent materials and novel nano-sized phosphors for improved solid-state white LED lamps. These advances can potentially contribute to reducing the loss in luminous efficiencies due to scattering, re-absorption, and thermal quenching. The bulk and nanostructured luminescent materials investigated are index matched to GaN and have broad and size-tunable absorption bands, size and impurity tuned emission bands, size-driven elimination of scattering effects, and a separation between absorption and emission bands. These innovations were accomplished through the use of novel synthesis techniques suitable for high volume production for LED lamp applications. The program produced a full-color set of high quantum yield phosphors with high chemical stability. In the bulk phosphor study, the ZnSeS:Cu,Ag phosphor was optimized to achieve >91% efficiency using erbium (Er) and other activators as sensitizers. Detailed analysis of temperature quenching effects on a large number of ZnSeS:Cu,Ag,X and strontium- and calcium-thiogallate phosphors lead to a breakthrough in the understanding of the anti-quenching behavior and a physical bandgap model was developed of this phenomena. In a follow up to this study, optimized phosphor blends for high efficiency and color performance were developed and demonstrated a 2-component phosphor system with good white chromaticity, color temperature, and high color rendering. By extending the protocols of quantum dot synthesis, large nanocrystals, greater than 20 nm in diameter were synthesized and exhibited bulk-like behavior and blue light absorption. The optimization of ZnSe:Mn nanophosphors achieved ~85% QE The limitations of core-shell nanocrystal systems were addressed by investigating alternative deltadoped structures. To address the manufacturability of these systems, a one-pot manufacturing protocol was developed for ZnSe:Mn nanophosphors. To enhance the stability of these material systems, the encapsulation of ZnSeS particle phosphors and ZnSeS screens with Al 2 O 3 and TiO 2 using ALD was shown to improve the stability by >8X and also increased the luminescence efficiency due to improved surface passivation and optical coupling. A large-volume fluidized bed ALD system was designed that can be adapted to a commercial ALD or vapor deposition system. Throughout the program, optical simulations were developed to evaluate and optimize various phosphor mixtures and device configurations. For example, to define the scattering properties of nanophosphors in an LED device or in a stand-off screen geometry. Also this work significantly promoted and assisted in the implementation of realistic phosphor material models into commercial modeling programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

The Earth System Grid Federation: An Open Infrastructure for Access to Distributed Geo-Spatial Data

The Earth System Grid Federation (ESGF) is a multi-agency, international collaboration that aims at developing the software infrastructure needed to facilitate and empower the study of climate change on a global scale. The ESGF s architecture employs a system of geographically distributed peer nodes, which are independently administered yet united by the adoption of common federation protocols and application programming interfaces (APIs). The cornerstones of its interoperability are the peer-to-peer messaging that is continuously exchanged among all nodes in the federation; a shared architecture and API for search and discovery; and a security infrastructure based on industry standards (OpenID, SSL, GSI and SAML). The ESGF software is developed collaboratively across institutional boundaries and made available to the community as open source. It has now been adopted by multiple Earth science projects and allows access to petabytes of geophysical data, including the entire model output used for the next international assessment report on climate change (IPCC-AR5) and a suite of satellite observations (obs4MIPs) and reanalysis data sets (ANA4MIPs).

Cinquini, Luca↗

DOE OSTI2013

The Earth System Grid Federation: An Open Infrastructure for Access to Distributed Geospatial Data

Climate Modelling↗

DOE OSTI2022

Complexity Phase Diagram for Interacting and Long-Range Bosonic Hamiltonians

Here, we classify phases of a bosonic lattice model based on the computational complexity of classically simulating the system. We show that the system transitions from being classically simulable to classically hard to simulate as it evolves in time, extending previous results to include on-site number-conserving interactions and long-range hopping. Specifically, we construct a complexity phase diagram with easy and hard “phases” and derive analytic bounds on the location of the phase boundary with respect to the evolution time and the degree of locality. We find that the location of the phase transition is intimately related to upper bounds on the spread of quantum correlations and protocols to transfer quantum information. Remarkably, although the location of the transition point is unchanged by on-site interactions, the nature of the transition point does change. Specifically, we find that there are two kinds of transitions, sharp and coarse, broadly corresponding to interacting and noninteracting bosons, respectively. Our Letter motivates future studies of complexity in many-body systems and its interplay with the associated physical phenomena.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

SU-F-T-19: The Consistency Dosimetric Analysis of the Accelerated Breast Brachytherapy

Purpose: To assess the best approach in accept a treatment plan for APBI Savi patients. Should we run a treatment verification test prior to delivering it to the patient? Should we check each CT scan in regards to the initial one in dosimetrical terms? Do we need deformable registration and adaptive planning for each fraction? These are the questions we want to answer running a dosimetric analysis of the dose variances for APBI treatments who receive 10 fractions and no re-planning has been done being considered unnecessary with today’s means of assessment. Methods: A retrospective analysis of 30 patients treated with SAVI applicators were considered for this study. The CT scans taken before each treatment were imported in the treatment planning system and registered with the initial CT scan. The images were fused together with respective to the applicator, using landmark registration. Dosimetric evaluations were performed. Dose received by skin, ribs and PTV on CT images with respect to the initial treatment plan were recorded including maximum, average and minimum dose Results: All the structures displayed changes in volume over the 10 fractions of treatment. The cavities reduction in volume was considerable with a maximum reduction of over 10%. The PTV-eval is covered better due to this fact while the critical organs manifest an increase in the total and maximum dose delivered. Ribs and skin surface that are required by B39 protocol to be monitored can acquire maximum doses of 20% to 30% respectively. Conclusion: A dosimetric evaluation prior to the initial treatment and prior to each of the 10 fractions is proven to be necessary. Deformable registration and adaptive planning have to be studied more and eventually implemented for every patient who received more than one fraction of any type of brachytherapy treatment. Immobilization ad localization methods must be improved and studied further.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

The effect of alkali-soluble lignin on purified core cellulase and hemicellulase activities during hydrolysis of extractive ammonia-pretreated lignocellulosic biomass

Removing alkali-soluble lignin using extractive ammonia (EA) pretreatment of corn stover (CS) is known to improve biomass conversion efficiency during enzymatic hydrolysis. In this study, we investigated the effect of alkali-soluble lignin on six purified core glycosyl hydrolases and their enzyme synergies, adopting 31 enzyme combinations derived by a five-component simplex centroid model, during EA-CS hydrolysis. Hydrolysis experiment was carried out using EA-CS(-) (approx. 40% lignin removed during EA pretreatment) and EA-CS(+) (where no lignin was extracted). Enzymatic hydrolysis experiments were done at three different enzyme mass loadings (7.5, 15 and 30 mg protein g -1 glucan), using a previously developed high-throughput microplate-based protocol, and the sugar yields of glucose and xylose were detected. The optimal enzyme combinations (based on % protein mass loading) of six core glycosyl hydrolases for EA-CS(-) and EA-CS(+) were determined that gave high sugar conversion. The inhibition of lignin on optimal enzyme ratios was studied, by adding fixed amount of alkali-soluble lignin fractions to EA-CS(-), and pure Avicel, beechwood xylan and evaluating their sugar conversion. The optimal enzyme ratios that gave higher sugar conversion for EA-CS(-) were CBH I: 27.2–28.2%, CBH II: 18.2–22.2%, EG I: 29.2–34.3%, EX: 9.0–14.1%, βX: 7.2–10.2%, βG: 1.0–5.0% (at 7.5–30 mg g -1 protein mass loading). Endoglucanase was inhibited to a greater extent than other core cellulases and xylanases by lignin during enzyme hydrolysis. We also found that alkali-soluble lignin inhibits cellulase more strongly than hemicellulase during the course of enzyme hydrolysis.

09 BIOMASS FUELS↗

DOE OSTI2016

Morphology induced photo-degradation study of low temperature, chemically derived ZnO/SnO{sub 2} heterostructure

Rational construction of heterostructure is a key pathway to pursue highly active photocatalysts that also offers prospects to explore the relationship between structural aspect and photocatalytic efficiency. Here, we adopted a two-step wet chemical protocol for decoration of ZnO nanowires with SnO{sub 2} nanoclusters. ZnO nanowires were prepared by one pot ambient conditioned synthesis from commercial zinc powder. In sequence, synthesized ZnO nanowires were engineered with varying quantity SnO{sub 2} nanoclusters via low temperature hydrothermal method. Environmental remediation through catalytic activity of the samples was inspected taking two dyes having different ionic character (Methyl Orange and Rhodamine B) under UV irradiation where the optimized hybrid displayed better performance than mono component oxides. Enhancement in catalytic performance could be enlightened by the heterostructure formation at the ZnO/SnO{sub 2} interface which in turns prolonged photogenerated carrier separation and extend the photo response range. Furthermore, the photocatalysis performance by heterostructure could be recycled for several times without noticeable decrease in their catalytic activity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

Switchgrass Genomic Diversity, Ploidy, and Evolution: Novel Insights from a Network-Based SNP Discovery Protocol

Switchgrass (Panicum virgatum L.) is a perennial grass that has been designated as an herbaceous model biofuel crop for the United States of America. To facilitate accelerated breeding programs of switchgrass, we developed both an association panel and linkage populations for genome-wide association study (GWAS) and genomic selection (GS). All of the 840 individuals were then genotyped using genotyping by sequencing (GBS), generating 350 GB of sequence in total. As a highly heterozygous polyploid (tetraploid and octoploid) species lacking a reference genome, switchgrass is highly intractable with earlier methodologies of single nucleotide polymorphism (SNP) discovery. To access the genetic diversity of species like switchgrass, we developed a SNP discovery pipeline based on a network approach called the Universal Network-Enabled Analysis Kit (UNEAK). Complexities that hinder single nucleotide polymorphism discovery, such as repeats, paralogs, and sequencing errors, are easily resolved with UNEAK. Here, 1.2 million putative SNPs were discovered in a diverse collection of primarily upland, northern-adapted switchgrass populations. Further analysis of this data set revealed the fundamentally diploid nature of tetraploid switchgrass. Taking advantage of the high conservation of genome structure between switchgrass and foxtail millet (Setaria italica (L.) P. Beauv.), two parent-specific, synteny-based, ultra high-density linkage maps containing a total of 88,217 SNPs were constructed. Also, our results showed clear patterns of isolation-by-distance and isolation-by-ploidy in natural populations of switchgrass. Phylogenetic analysis supported a general south-to-north migration path of switchgrass. In addition, this analysis suggested that upland tetraploid arose from upland octoploid. All together, this study provides unparalleled insights into the diversity, genomic complexity, population structure, phylogeny, phylogeography, ploidy, and evolutionary dynamics of switchgrass.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Poster - 56: Preliminary comparison of FF- and FFF-VMAT for prostate plans with higher rectal dose

Purpose: A recent retrospective study found 53 patients previously treated to 78Gy/39 using flattened filtered (FF) 6X-VMAT at GRRCC had rectal DVH more than one standard deviation higher than the average. This study was to investigate if using 6FFFor10FFF beams could reduce these DVHs without compromising target coverage. Methods: Twenty patients’ plans were re-planed with 2-arc 6X-VMAT, 6FFF-VMAT and 10FFF-VMAT using the Eclipse TPS following departmental protocol. All plans had the same optimization and normalization, and were evaluated against the acceptance criteria from the QUANTEC and Emami. Statistical differences in the mean dose to OARs (D{sub m}) and PTV homogeneity index (HI) between energies were tested using the paired sample Wilcoxon signed rank statistical method (p<0.05). Beam delivery accuracy was checked on five patients using portal dosimetry (PD). Results: The PTV HI for the 10FFF shows no statistical difference from the 6X. All the OARs, except left femoral head with 6FFF, have significantly lower Dm using 6FFF and 10FFF .There is no difference in the maximum doses to rectum and bladder and are limited by the prescribed doses. Measurements show good agreements in the gamma evaluation (3%/3mm) for all energies. Conclusion: This preliminary study shows that doses to the OARs are reduced using 10FFF for the same target coverage. The plans using 6FFF result in lower doses to some OARs, and statistically different PTV HI. All plans showed very good agreement with measurements.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Palliative Prostate Artery Embolization for Prostate Cancer: A Case Series

Introduction: Prostate artery embolization (PAE) is recognized as a treatment for lower urinary tract symptoms (LUTS) in men with benign prostatic hyperplasia. LUTS and urinary retention are common in men with prostate cancer (PCa). The purpose of this study was to estimate the efficacy and safety of palliative PAE on LUTS or urinary retention in men with advanced PCa. Materials and methods: This prospective, single-center trial was conducted from March 2017 to November 2018. The trial protocol was registered online (ClinicalTrials.gov Identifier: NCT03104907). Only men with advanced PCa suffering from LUTS or urinary retention were included. The primary outcome was the ability to void without a catheter and International Prostate Symptom Score (IPSS) in non-catheter-dependent patients. The paired t test was used to analyze changes from baseline with 95% confidence intervals (CI). A p value < 0.05 was considered statistically significant. Results: Seventeen patients were assessed for eligibility, and 15 patients with a mean age of 73.8 years were enrolled. Four men did not complete follow-up: cancer-related death (n = 2), lost to follow-up (n = 1), and unsuccessful embolization due to severe atherosclerosis (n = 1). Bilateral embolization was achieved in ten cases, and urinary retention resolved in one of six patients. LUTS improved in the remaining (n = 5) patients by a mean 12.2-point reduction in IPSS (95% CI − 23.53; − 0.87). According to the CIRSE classification, two grade 1 and two grade 3 complications occurred. Conclusion: In this study, palliative PAE was safe and efficient for treatment for LUTS associated with PCa. Level of Evidence: Level 4, Case Series. Trial registration ClinicalTrials.gov Identifier: NCT03104907.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

SU-F-J-220: Micro-CT Based Quantification of Mouse Brain Vasculature: The Effects of Acquisition Technique and Contrast Material

Purpose: Cognitive impairment from radiation therapy to the brain may be linked to the loss of total blood volume in the brain. To account for brain injury, it is crucial to develop an understanding of blood volume loss as a result of radiation therapy. This study investigates µCT based quantification of mouse brain vasculature, focusing on the effect of acquisition technique and contrast material. Methods: Four mice were scanned on a µCT scanner (Siemens Inveon). The reconstructed voxel size was 18µm3 and all protocols were Hounsfield Unit (HU) calibrated. The mice were injected with 40mg of gold nanoparticles (MediLumine) or 100µl of Exitron 12000 (Miltenyi Biotec). Two acquisition techniques were also performed. A single kVp technique scanned the mouse once using an x-ray beam of 80kVp and segmentation was completed based on a threshold of HU values. The dual kVp technique scanned the mouse twice using 50kVp and 80kVp, this segmentation was based on the ratio of the HU value of the two kVps. After image reconstruction and segmentation, the brain blood volume was determined as a percentage of the total brain volume. Results: For the single kVp acquisition at 80kVp, the brain blood volume had an average of 3.5% for gold and 4.0% for Exitron 12000. Also at 80kVp, the contrast-noise ratio was significantly better for images acquired with the gold nanoparticles (2.0) than for those acquired with the Exitron 12000 (1.4). The dual kVp acquisition shows improved separation of skull from vasculature, but increased image noise. Conclusion: In summary, the effects of acquisition technique and contrast material for quantification of mouse brain vasculature showed that gold nanoparticles produced more consistent segmentation of brain vasculature than Exitron 12000. Also, dual kVp acquisition may improve the accuracy of brain vasculature quantification, although the effect of noise amplification warrants further study.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2012

Estimation of breast percent density in raw and processed full field digital mammography images via adaptive fuzzy c-means clustering and support vector machine segmentation

Purpose: The amount of fibroglandular tissue content in the breast as estimated mammographically, commonly referred to as breast percent density (PD%), is one of the most significant risk factors for developing breast cancer. Approaches to quantify breast density commonly focus on either semiautomated methods or visual assessment, both of which are highly subjective. Furthermore, most studies published to date investigating computer-aided assessment of breast PD% have been performed using digitized screen-film mammograms, while digital mammography is increasingly replacing screen-film mammography in breast cancer screening protocols. Digital mammography imaging generates two types of images for analysis, raw (i.e., 'FOR PROCESSING') and vendor postprocessed (i.e., 'FOR PRESENTATION'), of which postprocessed images are commonly used in clinical practice. Development of an algorithm which effectively estimates breast PD% in both raw and postprocessed digital mammography images would be beneficial in terms of direct clinical application and retrospective analysis. Methods: This work proposes a new algorithm for fully automated quantification of breast PD% based on adaptive multiclass fuzzy c-means (FCM) clustering and support vector machine (SVM) classification, optimized for the imaging characteristics of both raw and processed digital mammography images as well as for individual patient and image characteristics. Our algorithm first delineates the breast region within the mammogram via an automated thresholding scheme to identify background air followed by a straight line Hough transform to extract the pectoral muscle region. The algorithm then applies adaptive FCM clustering based on an optimal number of clusters derived from image properties of the specific mammogram to subdivide the breast into regions of similar gray-level intensity. Finally, a SVM classifier is trained to identify which clusters within the breast tissue are likely fibroglandular, which are then aggregated into a final dense tissue segmentation that is used to compute breast PD%. Our method is validated on a group of 81 women for whom bilateral, mediolateral oblique, raw and processed screening digital mammograms were available, and agreement is assessed with both continuous and categorical density estimates made by a trained breast-imaging radiologist. Results: Strong association between algorithm-estimated and radiologist-provided breast PD% was detected for both raw (r= 0.82, p < 0.001) and processed (r= 0.85, p < 0.001) digital mammograms on a per-breast basis. Stronger agreement was found when overall breast density was assessed on a per-woman basis for both raw (r= 0.85, p < 0.001) and processed (0.89, p < 0.001) mammograms. Strong agreement between categorical density estimates was also seen (weighted Cohen's {kappa}{>=} 0.79). Repeated measures analysis of variance demonstrated no statistically significant differences between the PD% estimates (p > 0.1) due to either presentation of the image (raw vs processed) or method of PD% assessment (radiologist vs algorithm). Conclusions: The proposed fully automated algorithm was successful in estimating breast percent density from both raw and processed digital mammographic images. Accurate assessment of a woman's breast density is critical in order for the estimate to be incorporated into risk assessment models. These results show promise for the clinical application of the algorithm in quantifying breast density in a repeatable manner, both at time of imaging as well as in retrospective studies.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Rational designs to enable 10-min fast charging and long cycle life in lithium-ion batteries

A daunting challenge in the design of lithium ion batteries (LiBs) is enabling 10-min extreme fast charging (XFC) while achieving appreciable charge acceptance and cycle life. This desirable outcome requires both a comprehensive understanding of LiB operation and aging behavior at different length scales and careful optimization. Lithium plating has been a critical bottleneck because, at XFC rates, it consumes cyclable lithium causing distinct aging and safety concerns even in moderate-loading LiBs. Here, we propose combining multiple solutions, including materials-to-electrode design-to-charging protocols, that are intended to overcome limitations in lithium-ion transport in the electrolyte phase, thus enabling 10-min XFC in LiBs. Some implemented strategies include cathode chemistry, optimized carbon binder domain in the cathode, dual layer anode design, improved separator and advanced electrolyte. Further, innovative charging protocols in moderately loading (~3 mAh/cm 2 anode/2.7 mAh/cm 2 cathode) single-layer pouch cells are proposed, together with demonstrated 10-min XFC with higher charge acceptance between 87.3 and 92.1% (or 2–2.1 mAh/cm 2 ) for 600 cycles without lithium plating. This methodical study with well-defined cells shows promise in combining multiple solution strategies to enable 10-min XFC, charting a pathway to achieve XFC in higher-loading energy-optimized LiBs.

25 ENERGY STORAGE↗