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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 865 records · Page 48

Enhancing Enzyme-Mediated Hydrolysis of Mechanical Pulps by Deacetylation and Delignification

Alkaline induced deacetylation of the hemicellulose combined with subsequent mechanical refining enhanced the enzyme-mediated hydrolysis of pretreated corn stover. The addition of either NaOH (80 °C) or mild KOH (25 °C) to corn stover prior to mechanical refining led to greater than 80% deacetylation with the NaOH treatment also solubilizing low-molecular-weight lignin that was enriched in $β$-O-4 linkages with more than 25% and 13% of the total and surface lignin removed, respectively. Furthermore, the influence of deacetylation and delignification were further enhanced when NaOH was supplemented with 3% Na 2 SO 3 , resulting in 100% deacetylation, 34% delignification, and a >20% increase in the hydrolysis yield of the substrate xylan. A milder KOH treatment resulted in the retention of more than 95% of the lignin within the cellulose rich, water-insoluble fraction with no apparent change in the surface lignin. However, both methods resulted in enhanced xylan hydrolysis when treated with xylanases, suggesting that deacetylation had enhanced accessibility to the xylan present in the pretreated of corn stover. It was apparent that cellulose accessibility was also enhanced by partial delignification, as NaOH treatment resulted in a 65% and 43% increase in the Water Retention Value and Directed Orange dye adsorption, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Finding gaps in the national electric vehicle charging station coverage of the United States

Abstract The United States federal government has invested $7.5 billion into charging infrastructure, including the National Electric Vehicle Infrastructure Program, to build fast charging stations along designated highways for long-distance car travel. We develop a consecutive coverage metric to compute the percent of United States roads (traffic-weighted) that are consecutively accessible within 500 miles of each county. We answer (1) what the state of consecutive coverage is in each county and (2) what the increase in coverage is when designated highways receive fast chargers. In 2023, 10% of counties had at least 75% minimum viable coverage. We find that if all designated highways receive fast-charging stations, 94% of United States counties will reach at least 75% fast charger coverage. However, the remaining counties are rural. This demonstrates that federal funding for fast chargers will help connect most—but not all—counties to the national network of continuously accessible charging stations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Solar and battery can reduce energy costs and provide affordable outage backup for US households

Distributed energy resources are promising solutions for household energy affordability and resilience as weather extremes and aging infrastructure intensify grid reliability risks. This study presents a comprehensive nationwide assessment of over 500,000 U.S. households, evaluating economic and backup viability of solar-battery systems. We find that 60% of households could reduce electricity costs with average savings of 15%, while 63% of households could achieve affordable backup power during power outages covering an average of 51% of their essential energy needs. However, these benefits show limited alignment with areas of greatest need, particularly in regions facing high outage risks. We also identify significant disparities in access to solar and battery, with less-populated and disadvantaged communities showing consistently lower viability. Furthermore, these findings demonstrate the need for targeted policy interventions to ensure equitable access to solar-battery benefits, especially as states transition from net energy metering to other electricity tariff policies.

14 SOLAR ENERGY↗

Analysis and Compensation of Tx and Rx IQ Imbalances in Uplink IM-OFDMA Systems

Index modulation-based orthogonal division multiple access (IM-OFDMA) has recently been proposed as a potential technique for future wireless communication systems due to its superior spectral efficiency and error performance over conventional multiple access schemes. However, its performance is still under investigation by researchers in light of a variety of scenarios and assumptions. Following this direction, in this Article, the individual and joint effects of the transmitter (Tx) and receiver (Rx) in-phase and quadrature imbalances (IQI) on the bit-error-rate (BER) performance of the uplink IM-OFDMA scheme are investigated by considering whether each user's RF front-end is identical or not. Moreover, to reduce the detrimental effect of IQI, a preamble-based estimation and compensation method is proposed for IM-OFDMA. Closed-form expressions for the average BER of IM-OFDMA are obtained by considering the physical effect of the Tx and Rx IQI. Also, using Monte Carlo simulations, the derived expressions are verified under different system configurations. Furthermore, analytical and simulation results reveal that Tx and Rx IQI cause an error floor in the BER performance of IM-OFDMA schemes. However, the proposed estimation and compensation method not only reduces the impact of IQI but also leads to a better BER performance compared to the case of no IQI, which mainly refers to the frequency diversity caused by the IQI.

42 ENGINEERING↗

A Study on the Impact of Temperature-Dependent Ferroelectric Switching Behavior in 3D Memory Architecture

The flourishing development of neural networks that require exponentially growing amounts of data has presented an elevated demand for memory footprint. To address this, researchers have been exploring hardware accelerators with innovative memory architectures like 3D memory. These 3D memory architectures offer enhanced storage capacity and processing capabilities, at a cost of rising on-chip temperature during operation. Hafnium Zirconium Oxide (HZO) based Ferroelectric Random Access Memory (FeRAM) is a promising nonvolatile memory candidate in neural network hardware accelerators for its outstanding write performance and reliability. However, its implementation in the architecture regarding the temperature-dependent ferroelectric switching behavior has not been well studied. In this work, we study the thermal impacts on polarization switching through experimental devices and simulation results. We conduct the circuit and architecture-level simulations to showcase that one can exploit this temperature rise to reduce FeRAM's write voltage and write energy due to its unique temperature-activated polarization switching mechanisms. As the on-chip temperature increases to 351K (ambient temperature at 300K) due to neural network workloads, the access energy per bit can be reduced by 27.6% when a dynamic write voltage is applied.

36 MATERIALS SCIENCE↗

I/O in Machine Learning Applications on HPC Systems: A 360-degree Survey

Growing interest in Artificial Intelligence (AI) has resulted in a surge in demand for faster methods of Machine Learning (ML) model training and inference. This demand for speed has prompted the use of high performance computing (HPC) systems that excel in managing distributed workloads. Because data is the main fuel for AI applications, the performance of the storage and I/O subsystem of HPC systems is critical. In the past, HPC applications accessed large portions of data written by simulations or experiments or ingested data for visualizations or analysis tasks. ML workloads perform small reads spread across a large number of random files. This shift of I/O access patterns poses several challenges to modern parallel storage systems. In this paper, we survey I/O in ML applications on HPC systems, and target literature within a 6-year time window from 2019 to 2024. We define the scope of the survey, provide an overview of the common phases of ML, review available profilers and benchmarks, examine the I/O patterns encountered during offline data preparation, training, and inference, and explore I/O optimizations utilized in modern ML frameworks and proposed in recent literature. Lastly, we seek to expose research gaps that could spawn further R&D.

97 MATHEMATICS AND COMPUTING↗

Anolyte Enhances Catalyst Utilization and Ion Transport Inside a CO 2 Electrolyzer Cathode

Electrochemical CO 2 reduction is a promising technology to capture and convert CO 2 to valuable chemicals. High Faradaic efficiencies of CO 2 reduction products are achieved with zero-gap alkaline CO 2 electrolyzers with a supporting electrolyte at the anode (anolyte). Herein, we investigate the effect of anolyte on the electrode properties such as catalyst utilization, ionic accessibility etc. of a CO 2 reduction cathode using electrochemical techniques and cell configurations that avoid the complexities related to co-electrolysis. Using 1M KOH as the anolyte and a Cu gas-diffusion-electrode with low Nafion content as the model CO 2 reduction electrode, we find that electrode capacitance (proxy for electrochemically active surface area) and ionic conductivity inside the cathode increase approximately 4 and 447 times, respectively, in presence of KOH. Liquid anolyte wets the electrode’s pore structure more efficiently than capillary condensation of feed water vapor. The ionomer coverage is very low, and its distribution inside the electrode is highly fragmented. Surface ion conduction mechanisms inside the electrode are orders of magnitude lower than the bulk ion conduction in presence of anolyte. This study shows that when an anolyte (e.g., KOH) is used, catalyst utilization and ionic accessibility inside the electrode increase significantly.

30 DIRECT ENERGY CONVERSION↗

Building High-Energy Silicon-Containing Batteries Using Off-The-Shelf Materials

The technology of silicon anodes appears to be reaching maturity, with high-energy Si cells already in pilot-scale production. However, the performance of these systems can be difficult to replicate in academic settings, making it challenging to translate research findings into solutions that can be implemented by the battery industry. Part of this difficulty arises from the lack of access to engineered Si particles and anodes, as electrode formulations and the materials themselves have become valuable intellectual property for emerging companies. Here, we summarize the efforts by Argonne’s Cell Analysis, Modeling, and Prototyping (CAMP) Facility in developing Si-based prototypes made entirely from commercially available materials. We describe the many challenges we encountered when testing high-loading electrodes (>5 mAh cm −2 ) and discuss strategies to mitigate them. With the right electrode and electrolyte design, we show that our pouch cells containing ≥ 70 wt% SiO x can achieve 600–1,000 cycles at C/3 and meet projected energy targets of 700 Wh L −1 and 350 Wh kg −1 . These results provide a practical reference for research teams seeking to advance silicon-anode development using accessible materials.

25 ENERGY STORAGE↗

Community Public Mobility Using On-Demand, Low-Speed Electric Vehicles: A Case Study in Downtown St. Louis, Missouri

Legacy fixed route transit systems designed to serve commuters struggle to provide efficient and effective service for short neighborhood trips and for population groups unable to access and egress transit stops using active modes (e.g., elderly, disabled). Neighborhood on-demand transit (ODT) services using low-speed electric vehicles (LSEV) are an innovative technological solution that can help fill this gap in service (e.g., short, high-frequency trips) for diverse populations and trip types. This study evaluated user characteristics and travel behavior for a neighborhood ODT service (using LSEVs) in downtown St. Louis, Missouri using responses from a community survey (n=244), ridership data, and vehicle trajectory information. A comparative analysis between neighborhood ODT, fixed route transit, and transportation network companies (TNC) was also conducted from the perspectives of total travel time, cost, and greenhouse gas emissions. Ultimately, the goal of the analysis was to motivate and inform holistic public mobility systems where different services are optimized to meet specific community needs. Findings indicate that the neighborhood ODT was effective at reaching diverse populations (elderly (20%), lower income (27%), and households with limited access to private vehicles (34%)). ODT reduced total travel time by 32% compared to fixed route transit, produced 2.4 - 4.3 times less greenhouse gas emissions per passenger mile (compared to transit and TNCs), and was more affordable (free to users) than alternative options ($1 for transit, $10-12 for TNCs). Overall satisfaction rates were high, with 80% of respondents rating the service a 4 or 5 out of 5.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms

We need to effectively combine the knowledge from surging literature with complex datasets to propose mechanistic models of SARS-CoV-2 infection, improving data interpretation and predicting key targets of intervention. Here, we describe a large-scale community effort to build an open access, interoperable and computable repository of COVID-19 molecular mechanisms. The COVID-19 Disease Map (C19DMap) is a graphical, interactive representation of disease-relevant molecular mechanisms linking many knowledge sources. Notably, it is a computational resource for graph-based analyses and disease modelling. To this end, we established a framework of tools, platforms and guidelines necessary for a multifaceted community of biocurators, domain experts, bioinformaticians and computational biologists. The diagrams of the C19DMap, curated from the literature, are integrated with relevant interaction and text mining databases. We demonstrate the application of network analysis and modelling approaches by concrete examples to highlight new testable hypotheses. This framework helps to find signatures of SARS-CoV-2 predisposition, treatment response or prioritisation of drug candidates. Such an approach may help deal with new waves of COVID-19 or similar pandemics in the long-term perspective.

59 BASIC BIOLOGICAL SCIENCES↗

Software Bill of Materials (SBOM) Sharing Lifecycle Report

As Software Bill of Materials (SBOM) adoption efforts mature, SBOM sharing continues to occur, but no single solution or set of solutions have become ubiquitous. The purpose of this report is to enumerate and describe the different parties and phases of the SBOM sharing lifecycle and assist readers in choosing suitable SBOM sharing solutions based on the amount of time, resources, subject-matter expertise, effort, and access to tooling that is available to the reader to implement a phase of the SBOM sharing lifecycle. The SBOM sharing lifecycle consists of the Discovery, Access, and Transport of an SBOM and this report details these individual phases and how an SBOM goes from author to the consumer. This report also details how potential enrichment activities may be performed on an SBOM to create a new product before or after it has been shared. The concept of a sophistication classification for SBOM sharing solutions is concurrently introduced with a focus on the inclusion or lack of certain features and effort associated with their implementation. Examples of low, medium, and high-sophistication solutions are provided; however, these examples and associated categorizations should not be seen as a qualitative judgment meant to push the reader towards a particular adoption strategy since sharing solutions are chosen based on the unique needs of the user. This report does recommend the SBOM community consider how to make current and future sharing solutions interoperable with each other as well as more automated methods to facilitate sharing and broader SBOM adoption. This report also highlights an SBOM sharing survey results obtained from interviews with stakeholders to understand the current SBOM sharing landscape. The categorized results of the survey suggest that SBOMs are currently transported directly to the receiver through email or similar informal communication mechanisms or alternatively the SBOM resides on a repository available to consumers. In addition to these transport methods, this report captures industry efforts to create private sharing solutions and services that can store and transport enrichment data and may use higher sophistication features that are cloud-based or using distributed ledger technologies.

97 MATHEMATICS AND COMPUTING↗

Equitable Resilience: Opportunities to Advance Solar Paired with Battery Storage in Historically Marginalized Communities

This report was produced as part of the Equitable Solar Communities of Practice program through the U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO). Clean Energy Group (CEG) managed the Resilience, Storage, and Grid Benefits Community of Practice, which aimed to research, evaluate, and identify opportunities to scale the meaningful benefits of solar paired with battery storage in historically marginalized communities. The report is designed to 1) educate a broad audience on the benefits of solar paired with battery storage, 2) identify barriers to deploying solar paired with battery storage in historically marginalized communities, 3) amplify early-adopters and innovative programs that support battery storage access across the nation, and 4) recommend best practices for programs and policies to adopt in advancing equitable access to solar and battery storage technologies.

14 SOLAR ENERGY↗

Controlling Host Responses to Infection

Pathogen invasion of host cells causes a myriad of functional changes including alterations of chromatin accessibility often limiting defense responses, shunting of cellular resources to centers of viral replication, and rearrangement of intracellular membranes to facilitate genome reproduction and progeny release. Systems biology approaches provide global snapshots of pathogen induced changes following infection and provide a variety of tools to begin to define how cellular homeostasis is disrupted, but improvements on these tools are required to determine how cellular functions are altered post infection. Chromatin accessibility techniques, biochemical assays to assess the activity of epigenetic enzymes, scalable sample collection platforms, and activity-based probes were used to characterize how human respiratory viruses modify host responses in infected human lungs over time. These studies enhanced our knowledge of how pathogens usurp the host environment during infection and identify additional targets for future evaluations of medical countermeasures.

59 BASIC BIOLOGICAL SCIENCES↗

PNNL DataHub NIAID Program Project: Modeling Host Responses to Understand Severe Human Virus Infections, Multi-Omic Viral Dataset Catalog Collection

The National Institute of Allergy and Infectious Diseases (NIAID) "Modeling Host Responses to Understand Severe Human Virus Infections" program project was a highly integrated and comprehensive systems biology research core, funded by the National Institute of Health (U19AI106772) from 2013-06-01 to 2018-05-31, investigating the complex host response to category A, B, and C priority pathogen infections. Resulting project deliverables include an extensive comprehensive collections of linked primary and secondary transformation viral experimental infection data. Here we provide a never before released comprehensive infectious disease collection of primary and secondary transformation multi-Omics data profiling a series of priority pathogen primary experimental studies for enhanced open access to viral Omics lifecycle datasets and project metadata. Using a highly integrated and multidisciplinary approach, linked primary data and metadata supporting secondary normalization datasets, provide critical information necessary for research reproducibility and long-term preservation. Enabling on-demand data access for research community consumption and developer reuse, serves to support new mechanistic insights and discoveries into host-pathogen interactions for aiding future biohazard data preparedness efforts in emergency response to global health crises involving viral infection.

59 BASIC BIOLOGICAL SCIENCES↗

The Journal of Open Source Software (JOSS): Bringing Open-Source Software Practices to the Scholarly Publishing Community for Authors, Reviewers, Editors, and Publishers

Open-source software (OSS) is a critical component of open science, but contributions to the OSS ecosystem are systematically undervalued in the current academic system. The Journal of Open Source Software (JOSS) contributes to addressing this by providing a venue (that is itself free, diamond open access, and all open-source, built in a layered structure using widely available elements/services of the scholarly publishing ecosystem) for publishing OSS, run in the style of OSS itself. A particularly distinctive element of JOSS is that it uses open peer review in a collaborative, iterative format, unlike most publishers. Additionally, all the components of the process—from the reviews to the papers to the software that is the subject of the papers to the software that the journal runs—are open. We describe JOSS’s history and its peer review process using an editorial bot, and we present statistics gathered from JOSS’s public review history on GitHub showing an increasing number of peer reviewed papers each year. We discuss the new JOSSCast and use it as a data source to understand reasons why interviewed authors decided to publish in JOSS. JOSS’s process differs significantly from traditional journals, which has impeded JOSS’s inclusion in indexing services such as Web of Science. In turn, this discourages researchers within certain academic systems, such as Italy’s, which emphasize the importance of Web of Science and/or Scopus indexing for grant applications and promotions. JOSS is a fully diamond open-access journal with a cost of around US$\$$5 per paper for the 401 papers published in 2023. The scalability of running JOSS with volunteers and financing JOSS with grants and donations is discussed.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Ultra-Sharp Nanowire Arrays Natively Permeate, Record, and Stimulate Intracellular Activity in Neuronal and Cardiac Networks

Intracellular access with high spatiotemporal resolution can enhance the understanding of how neurons or cardiomyocytes regulate and orchestrate network activity and how this activity can be affected with pharmacology or other interventional modalities. Nanoscale devices often employ electroporation to transiently permeate the cell membrane and record intracellular potentials, which tend to decrease rapidly with time. Here, one reports innovative scalable, vertical, ultrasharp nanowire arrays that are individually addressable to enable long-term, native recordings of intracellular potentials. One reports electrophysiological recordings that are indicative of intracellular access from 3D tissue-like networks of neurons and cardiomyocytes across recording days and that do not decrease to extracellular amplitudes for the duration of the recording of several minutes. The findings are validated with cross-sectional microscopy, pharmacology, and electrical interventions. The experiments and simulations demonstrate that the individual electrical addressability of nanowires is necessary for high-fidelity intracellular electrophysiological recordings. This work advances the understanding of and control over high-quality multichannel intracellular recordings and paves the way toward predictive, high-throughput, and low-cost electrophysiological drug screening platforms.

36 MATERIALS SCIENCE↗

Epitaxial Dirac Semimetal Vertical Heterostructures for Advanced Device Architectures

Exploiting the extraordinary transport and optical properties of 3D topological semimetals for device applications requires epitaxial integration with semiconductors to carefully control carrier transport, yet no studies have established heteroepitaxy on top of any topological semimetals to date. Here, a novel approach toward fabricating heterostructures is demonstrated by epitaxially incorporating the Dirac semimetal Cd 3 As 2 between Zn x Cd 1-x Te and CdTe layers via molecular beam epitaxy on GaAs (001) substrates. The approach utilizes the higher energy (001) surface of Cd 3 As 2 to stabilize 2D epitaxy of zinc blende semiconductors. To demonstrate the impact heterostructure formation offers to device performance, an all-epitaxial, barrier-type vertical photodetector is fabricated that accesses a different carrier separation mechanism than previously reported non-epitaxial junctions and consequently exhibits significantly reduced dark currents. Finally, the results highlight the important role that epitaxial integration can play in accessing advanced architectures for topological semimetal-based devices.

36 MATERIALS SCIENCE↗

Cathodoluminescence of Ultrathin Twisted Ge 1–x Sn x S van der Waals Nanoribbon Waveguides

Ultrathin van der Waals semiconductors have shown extraordinary optoelectronic and photonic properties. Propagating photonic modes make layered crystal waveguides attractive for photonic circuitry and for studying hybrid light-matter states. Accessing guided modes by conventional optics is challenging due to limited spatial resolution and poor out-of-plane far field coupling. Scanning near-field optical microscopy (SNOM) can overcome these issues and can characterize waveguide modes down to tens of nm resolution, albeit for planar samples or nanostructures with moderate height variations. Electron microscopy provides atomic-scale localization also for more complex geometries, and recent advances extended the accessible excitations from interband transitions to phonons. In this work, bottom-up synthesized layered semiconductor (Ge 1-x Sn x S) nanoribbons with axial twist and deep sub-wavelength thickness are demonstrated as a platform for realizing waveguide modes, and cathodoluminescence (CL) spectroscopy is introduced as a tool to characterize them. Combined experiments and simulations show the excitation of guided modes by the electron beam and their efficient detection via photons emitted in the ribbon plane, which enables measuring key properties such as the evanescent field into the vacuum cladding with nanometer resolution. The results identify van der Waals waveguides operating in the infrared and highlight an electron microscopy-based approach for probing complex-shaped nanophotonic structures.

36 MATERIALS SCIENCE↗