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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Human Host Cellular Response to HCoV-229E Infection Proteomics (ACS-JM-DP2)

The purpose of this experiment was to evaluate the human host cellular response to wild-type Human coronavirus strain 229E (HCoV-229E) infection. Sample data was obtained for mock and infected immortalized human lung epithelial cells (A549) (MOI 5) nuclear extracts, immortalized human lung fibroblasts cells (MRC5) (MOI5) nuclear extracts, and primary human airway epithelial (HAE) (MOI 3) cells from lung tissue and processed for proteome analysis. Processed datasets are openly accessible from the download button and contain secondary processed proteomic results files and supporting metadata materials. Experimental proteomics samples were prepared using Limited Proteolysis (LiP) methods for Label-free quantification (LFQ) and global proteomic evaluation. Sample data was acquired using a Q-Exactive HF-X mass spectrometer and was processed and compiled using MaxQuant software (v.1.6.17.0). Processed proteomic data downloads include a sample naming key, processed MaxQuant results/parameters, and protein annotated relative abundance files. See corresponding primary data accessions below and Viral Experiment LiP Analysis source code supporting data transparency and reuse. Experimental transcriptomics samples were collected in parallel and processed for RNA sequencing (RNA-Seq) as summarized under ACS-DP1 (https://data.pnnl.gov/group/nodes/dataset/34069).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Human Liver Epithelium Response to HCoV-229E Infection Epigenomics (ACS-DP4)

The purpose of this experiment was to evaluate how wild-type Human coronavirus strain 229E (HCoV-229E) infection alters chromatin accessibility in infected cells only. Sample data was obtained for mock and infected (standard and UV-inactivated) immortalized human liver cells (HuH-7) and collected 24 hrs. post infection. Samples were processed using assay for transposase-accessible chromatin using high-throughput sequencing (ATAC-Seq) and generated bar coded library samples were evaluated for RNA sequencing (RNA-Seq) expression analysis. Processed ATAC-Seq datasets are openly accessible from the download button and contain secondary processed RNA-Seq results files and supporting metadata materials. Data download includes a sample naming key, infection titer metadata, normalized counts, and relevant computational source code information supporting data transparency and reuse.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Hyaloscypha finlandica Metabolome Repository

This repository provides the curated data tables, manuscript figure and table exports, dependency records, and workflow scripts supporting an integrated comparative genomics and untargeted LC-MS/MS metabolomics analysis of Hyaloscypha finlandica strain PMI 746, a root-associated dark septate endophyte of poplar. The repository includes genome-mining summaries from antiSMASH, FunBGCeX, BGC-Prophet, and BiG-SCAPE; processed metabolomics inputs; metabolite annotation evidence; statistical outputs; and publication-facing figures and tables. Raw LC-MS/MS spectra, full genome/protein downloads, and large generated tool outputs are referenced through public archive/accession records and are not stored in Git.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

ARPA-E Grid Optimization (GO) Competition Challenge 3

Synthetic Input Data and Team Results for the GO Competition Challenge 3 for Events 1 - 4 and the Sandbox, along with problem and format descriptions and code to validate data and solutions, are available here. Data for industry scenarios will not be made public. The Grid Optimization (GO) Competition Challenge 3 focused on the security-constrained optimal power flow (SCOPF) problem. It is part of a continuing effort begun with Challenges 1 and 2, to successfully discover, develop, and test innovative and disruptive software solutions for critical energy challenges and to overcome existing barriers. The broader goal of the of the GO Competition is to accelerate the development of transformational and disruptive methods for solving problems related to the electric power grid and to provide a transparent, fair, and comprehensive evaluation of new solution methods. Challenge 3 used multiperiod dynamic markets, including advisory models for extreme weather events, day-ahead markets, and the real-time markets with an extended look-ahead. In Event 4, whose submission window was August 31-September 4, 2023, 14 teams solved for the objective values of 669 scenarios (39 scenarios required solutions both with and without line switching being allowed). The 591 synthetic scenarios from 9 network models (3.6 GB) are available here. Ten teams were funded to participate and 7 won prizes totaling $2,400,000. The largest prize ($550,000) went to Mississippi State University. An additional $600,000 was awarded in Event 3 (6/15-16/2023). No prizes were awarded in Events 1 (1/25-27/2023) or 2 (4/13-14/2023). For more information on the competition and challenge see the "GO Competition Challenge 3 Information" resource below.

ACOPF↗
DOE OSTI2024

Methods of Securing Chemical and Pharmaceutical Knowledge and Recommendations for International Institutions to Enhance Research Integrity

Here, this paper examines strategies for securing chemical and pharmaceutical expertise in a globalized research environment, focusing on safeguarding intellectual property and preventing the misuse of sensitive and potentially dual-use information. The product of collective efforts between Pacific Northwest National Laboratory, Carol Davila University of Medicine and Pharmacy, and New Bulgarian University, highlights the challenges and opportunities posed by cross-border research collaborations, particularly in the context of differing regulatory frameworks and research cultures. It explores current mechanisms to prevent data loss and unauthorized access to sensitive information while assessing the effectiveness of existing security measures, frameworks, and international export control regimes. The approach examines the differing methodologies for promoting transparency, trust-building, and mutual accountability in joint research projects to cultivate secure data-sharing practices and intellectual property. It provides recommendations for international institutions to implement security guidelines in framing research priorities, encourages continual training and education programs, and the integration of processes for monitoring research compliance. This partnership aims to advance scientific innovation while maintaining global stability, ensuring compliance with international norms, and safeguarding valuable intellectual property as measures in chemical and pharmaceutical research security practices continue to expand due to international collaboration and knowledge exchange.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Replicating Machine Learning Experiments in Materials Science

Transparency and reproducibility are important aspects of validation for Machine Learning (ML) models that are not fully understood and applies independently of the application domain.We offer a case study of reproducibility that highlights the challenges encountered when attempting to reproduce analyzes obtained with Machine Learning methods in materials informatics. Our study explores prediction results obtained with ML models and issues in training data serving as input. We discuss challenges related to theory-driven and numerical errors in training data, lack of reproducibility across platforms and versions, and effects of randomness when varying hyperparameters. In addition to model accuracy, a main metric of interest in the ML community, our results show that model sensitivity may be equally important for applying ML in domain applications such a materials science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A standards perspective on genomic data reusability and reproducibility

Genomic and metagenomic sequence data provides an unprecedented ability to re-examine findings, offering a transformative potential for advancing research, developing computational tools, enhancing clinical applications, and fostering scientific collaboration. However, effective and ethical reuse of genomics data is hampered by numerous technical and social challenges. The International Microbiome and Multi’Omics Standards Alliance (IMMSA, https://www.microbialstandards.org/) and the Genomic Standards Consortium (GSC, https://gensc.org) hosted a 5-part seminar series “A Year of Data Reuse” in 2024 to explore challenges and opportunities of data reuse and reproducibility across disparate domains of the genomic sciences. Addressing these challenges will require a multifaceted approach, including common metadata reporting, clear communication, standardized protocols, improved data management infrastructure, ethical guidelines, and collaborative policies that prioritize transparency and accessibility. We offer strategies to enable responsible and technically feasible data reuse, recognition of data reproducibility challenges, and emphasizing the importance of cross-disciplinary efforts in the pursuit of open science and data-driven innovation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Why Terminology Matters for Successful Rollout of Carbon Dioxide Utilization Technologies

To realize their full sustainability potential, carbon dioxide utilization technologies (carbon capture and utilization/CCU) presently require policy support. Consequently, they require acceptance among a variety of stakeholders in industry, policy making, and in the public sphere alike. While CO 2 utilization is already a topic of discourse among these stakeholders, there is a lack of common terminology to describe such technologies. On the contrary: The present article shows that terminology in the field of CO 2 utilization technologies is currently used inconsistently, and that different designations such as CCU, CCUS, or CDR convey different meanings and contexts. These ambiguities may cause communication problems with regard to policy making, funding proposals, and especially in public discourse. In order to initiate and accompany a goal-oriented and knowledge-based debate on CO 2 utilization technologies in the future, actors in the field are asked to question their own choices of terminology and to assess its accuracy. Acronyms and technical abbreviations are the chief cause of potential misunderstandings, and so should be avoided whenever possible or else include a brief explanation. Consistent and precise use of terminology will facilitate transparent dialogue concerning CO 2 utilization in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

SMART Subsea Cables for Observing the Earth and Ocean, Mitigating Environmental Hazards, and Supporting the Blue Economy

The Joint Task Force, Science Monitoring And Reliable Telecommunications (JTF SMART) Subsea Cables, is working to integrate environmental sensors for ocean bottom temperature, pressure, and seismic acceleration into submarine telecommunications cables. The purpose of SMART Cables is to support climate and ocean observation, sea level monitoring, observations of Earth structure, and tsunami and earthquake early warning and disaster risk reduction, including hazard quantification. Recent advances include regional SMART pilot systems that are the first steps to trans-ocean and global implementation. Examples of pilots include: InSEA wet demonstration project off Sicily at the European Multidisciplinary Seafloor and water column Observatory Western Ionian Facility; New Caledonia and Vanuatu; French Polynesia Natitua South system connecting Tahiti to Tubaui to the south; Indonesia starting with short pilot systems working toward systems for the Sumatra-Java megathrust zone; and the CAM-2 ring system connecting Lisbon, Azores, and Madeira. This paper describes observing system simulations for these and other regions. Funding reflects a blend of government, development bank, philanthropic foundation, and commercial contributions. In addition to notable scientific and societal benefits, the telecommunications enterprise’s mission of global connectivity will benefit directly, as environmental awareness improves both the integrity of individual cable systems as well as the resilience of the overall global communications network. SMART cables support the outcomes of a predicted, safe, and transparent ocean as envisioned by the UN Decade of Ocean Science for Sustainable Development and the Blue Economy. As a continuation of the OceanObs’19 conference and community white paper (Howe et al., 2019, 10.3389/fmars.2019.00424), an overview of the SMART programme and a description of the status of ongoing projects are given.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Prescreening-Based Subset Selection for Improving Predictions of Earth System Models With Application to Regional Prediction of Red Tide

We present the ensemble method of prescreening-based subset selection to improve ensemble predictions of Earth system models (ESMs). In the prescreening step, the independent ensemble members are categorized based on their ability to reproduce physically-interpretable features of interest that are regional and problem-specific. The ensemble size is then updated by selecting the subsets that improve the performance of the ensemble prediction using decision relevant metrics. We apply the method to improve the prediction of red tide along the West Florida Shelf in the Gulf of Mexico, which affects coastal water quality and has substantial environmental and socioeconomic impacts on the State of Florida. Red tide is a common name for harmful algal blooms that occur worldwide, which result from large concentrations of aquatic microorganisms, such as dinoflagellate Karenia brevis, a toxic single celled protist. We present ensemble method for improving red tide prediction using the high resolution ESMs of the Coupled Model Intercomparison Project Phase 6 (CMIP6) and reanalysis data. The study results highlight the importance of prescreening-based subset selection with decision relevant metrics in identifying non-representative models, understanding their impact on ensemble prediction, and improving the ensemble prediction. These findings are pertinent to other regional environmental management applications and climate services. Additionally, our analysis follows the FAIR Guiding Principles for scientific data management and stewardship such that data and analysis tools are findable, accessible, interoperable, and reusable. As such, the interactive Colab notebooks developed for data analysis are annotated in the paper. This allows for efficient and transparent testing of the results’ sensitivity to different modeling assumptions. Moreover, this research serves as a starting point to build upon for red tide management, using the publicly available CMIP, Coordinated Regional Downscaling Experiment (CORDEX), and reanalysis data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Comprehensive Evaluation for Protective Coatings: Optical, Electrical, Photoelectrochemical, and Spectroscopic Characterizations

Numerous efficient semiconductors suffer from instability in aqueous electrolytes. Strategies utilizing protective coatings have thus been developed to protect these photoabsorbers against corrosion while synergistically improving charge separation and reaction kinetics. Recently, various photoelectrochemical (PEC) protective coatings have been reported with suitable electronic properties to ensure low charge transport loss and reveal the fundamental photoabsorber efficiency. However, protocols for studying the critical figures of merit for protective coatings have yet to be established. For this reason, we propose four criteria for evaluating the performance of a protective coating for PEC water-splitting: stability, conductivity, optical transparency, and energetic matching. We then propose a flow chart that summarizes the recommended testing protocols for quantifying these four performance metrics. In particular, we lay out the stepwise testing protocols to evaluate the energetics matching at a semiconductor/coating/(catalyst)/liquid interface. Finally, we provide an outlook for the future benchmarking needs for coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Emerging Themes and Future Directions of Multi-Sector Nexus Research and Implementation

Water, energy, and food are all essential components of human societies. Collectively, their respective resource systems are interconnected in what is called the “nexus”. There is growing consensus that a holistic understanding of the interdependencies and trade-offs between these sectors and other related systems is critical to solving many of the global challenges they present. While nexus research has grown exponentially since 2011, there is no unified, overarching approach, and the implementation of concepts remains hampered by the lack of clear case studies. Here, we present the results of a collaborative thought exercise involving 75 scientists and summarize them into 10 key recommendations covering: the most critical nexus issues of today, emerging themes, and where future efforts should be directed. We conclude that a nexus community of practice to promote open communication among researchers, to maintain and share standardized datasets, and to develop applied case studies will facilitate transparent comparisons of models and encourage the adoption of nexus approaches in practice.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Challenges of open data in aquatic sciences: issues faced by data users and data providers

Free use and redistribution of data (i.e., Open Data) increases the reproducibility, transparency, and pace of aquatic sciences research. However, barriers to both data users and data providers may limit the adoption of Open Data practices. Here, we describe common Open Data challenges faced by data users and data providers within the aquatic sciences community (i.e., oceanography, limnology, hydrology, and others). These challenges were synthesized from literature, authors’ experiences, and a broad survey of 174 data users and data providers across academia, government agencies, industry, and other sectors. Through this work, we identified seven main challenges: 1) metadata shortcomings, 2) variable data quality and reusability, 3) open data inaccessibility, 4) lack of standardization, 5) authorship and acknowledgement issues 6) lack of funding, and 7) unequal barriers around the globe. Our key recommendation is to improve resources to advance Open Data practices. This includes dedicated funds for capacity building, hiring and maintaining of skilled personnel, and robust digital infrastructures for preparation, storage, and long-term maintenance of Open Data. Further, to incentivize data sharing we reinforce the need for standardized best practices to handle data acknowledgement and citations for both data users and data providers. We also highlight and discuss regional disparities in resources and research practices within a global perspective.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Bulk viscosity of two-flavor color superconducting quark matter in neutron star mergers

This work investigates the bulk viscosity of warm, dense, neutrino-transparent, color-superconducting quark matter, where damping of density oscillations in the kHz frequency range arises from weak-interaction-driven direct Urca processes involving quarks. We study the two-flavor red-green paired color-superconducting (2SC) phase, while allowing for the presence of unpaired strange quarks and blue color light quarks of all flavors. Our calculations are based on the SU(3) Nambu–Jona–Lasinio model, extended to include both vector interactions and the ‘t Hooft determinant term. The primary focus is on how variations in the NJL Lagrangian parameters—specifically, the diquark and vector coupling strengths—affect both the static properties of quark matter, such as its equation of state and composition, and its dynamical behavior, including bulk viscosity and associated damping timescales. We find that the bulk viscosity and corresponding damping timescale can change by more than an order of magnitude upon varying the vector coupling by a factor of two at high densities and by a lesser degree at lower densities. This sensitivity primarily arises from the susceptibility of 2SC matter, with a smaller contribution from modifications to the weak interaction rates. In comparison, changes in the diquark coupling have a more limited impact. The damping of density oscillations in 2SC matter is similar quantitatively to nucleonic matter and can be a leading mechanism of dissipation in merging hybrid stars containing color superconducting cores.

Gravitational Waves↗
DOE OSTI2025

Block Copolymer-Templated Synthesis of Fe–Ni–Co-Modified Nanoporous Alumina Films

Despite intense interest in the catalytic potential of transition metal oxide heterostructures, originating from their large surface area and tunable chemistry, the fabrication of well-defined multicomponent oxide coatings with controlled architectures remains challenging. Here, we demonstrate a simple and effective swelling-assisted sequential infiltration synthesis (SIS) strategy to fabricate hierarchically porous multicomponent metal-oxide electrocatalysts with tunable bimetallic composition. A combination of solution-based infiltration (SBI) of transition metals, iron (Fe), nickel (Ni), and cobalt (Co), into a block copolymer (PS73-b-P4VP28) template, followed by vapor-phase infiltration of alumina using sequential infiltration synthesis (SIS), was employed to synthesize porous, robust, conformal and transparent multicomponent metal-oxide coatings like Fe/AlO x , Fe+Ni/AlO x , and Fe+Co/AlO x . Electrochemical assessments for the oxygen evolution reaction (OER) in a 0.1 M KOH electrolyte demonstrated that the Fe+Ni/AlO x composite exhibited markedly superior catalytic activity, achieving an impressive onset potential of 1.41 V and a peak current density of 3.29 mA/cm 2 . This superior activity reflects the well-known synergistic effect of alloying transition metals with a trace of Fe, which facilitates OER kinetics. Overall, our approach offers a versatile and scalable path towards the design of stable and efficient catalysts with tunable nanostructures, opening new possibilities for a wide range of electrochemical energy applications.

conformal films↗
DOE OSTI2021

Detection of Chymotrypsin by Optical and Acoustic Methods

Chymotrypsin is an important proteolytic enzyme in the human digestive system that cleaves milk proteins through the hydrolysis reaction, making it an interesting subject to study the activity of milk proteases. In this work, we compared detection of chymotrypsin by spectrophotometric dynamic light scattering (DLS) and quartz crystal microbalance (QCM) methods and determined the limit of chymotrypsin detection (LOD), 0.15 ± 0.01 nM for spectrophotometric, 0.67 ± 0.05 nM for DLS and 1.40 ± 0.30 nM for QCM methods, respectively. The sensors are relatively cheap and are able to detect chymotrypsin in 3035 min. While the optical detection methods are simple to implement, the QCM method is more robust for sample preparation, and allows detection of chymotrypsin in non-transparent samples. We give an overview on methods and instruments for detection of chymotrypsin and other milk proteases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Review of the U.S. Policies, Codes, and Standards of Zero-Carbon Buildings

The global issue of climate change has accelerated the international commitment to net-zero carbon emission development. Decarbonizing the building sector has been put on several governments’ sustainable development agendas. To provide a reference for decarbonizing the building sector, this paper summarizes the U.S. experience in zero-carbon buildings (ZCBs) from the aspects of policies, codes, and standards at the federal and local levels and those of professional societies. Based on the definition and boundaries of ZCBs, this paper introduces policies on building energy efficiency, electrification, on-site renewable energy deployment, and “buy clean”, illustrating highlights in building phases, energy systems, materials production, and fiscal incentives. The synergic efforts and coordination between federal and local levels and with professional societies are also introduced. Successful experiences in policy and standard implementation are summarized, including the systemic work of multilevel governance, clearly defined goals and stringent policies, constant upgrades of codes and standards, transparency in reporting and information sharing, and increased financial and investment opportunities. This paper provides concrete recommendations for developing zero-carbon building policies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Towards Enhancing Coding Productivity for GPU Programming Using Static Graphs

The main contribution of this work is to increase the coding productivity of GPU programming by using the concept of Static Graphs. GPU capabilities have been increasing significantly in terms of performance and memory capacity. However, there are still some problems in terms of scalability and limitations to the amount of work that a GPU can perform at a time. To minimize the overhead associated with the launch of GPU kernels, as well as to maximize the use of GPU capacity, we have combined the new CUDA Graph API with the CUDA programming model (including CUDA math libraries) and the OpenACC programming model. We use as test cases two different, well-known and widely used problems in HPC and AI: the Conjugate Gradient method and the Particle Swarm Optimization. In the first test case (Conjugate Gradient) we focus on the integration of Static Graphs with CUDA. In this case, we are able to significantly outperform the NVIDIA reference code, reaching an acceleration of up to 11x thanks to a better implementation, which can benefit from the new CUDA Graph capabilities. In the second test case (Particle Swarm Optimization), we complement the OpenACC functionality with the use of CUDA Graph, achieving again accelerations of up to one order of magnitude, with average speedups ranging from 2x to 4x, and performance very close to a reference and optimized CUDA code. Our main target is to achieve a higher coding productivity model for GPU programming by using Static Graphs, which provides, in a very transparent way, a better exploitation of the GPU capacity. The combination of using Static Graphs with two of the current most important GPU programming models (CUDA and OpenACC) is able to reduce considerably the execution time w.r.t. the use of CUDA and OpenACC only, achieving accelerations of up to more than one order of magnitude. Finally, we propose an interface to incorporate the concept of Static Graphs into the OpenACC Specifications.

58 GEOSCIENCES↗