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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 415 records · Page 23

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NASA NTRS1999

Prediction and Assessment of Reynolds Number Sensitivities Associated with Wing Leading-Edge Radius Variations

The primary objectives of this study were to expand the data base showing the effects of LE radius distribution and corresponding . sensitivity to Rn at subsonic and transonic conditions, and to assess the predictive capability of CFD for these effects. Several key elements led to the initiation of this project: 1) the necessity of meeting multipoint design requirements to enable a viable HSCT, 2) the demonstration that blunt supersonic leading-edges can be associated with performance gain at supersonic speeds , and 3) limited data. A test of a modified Reference H model with the TCA planform and 2 LE radius distributions was performed in the NTF, in addition to Navier-Stokes analysis for an additional 3 LE radius distributions. Results indicate that there is a tremendous potential to improve high-lift performance through the use of a blunt LE across the span given an integrated, fully optimized design, and that low Rn data alone is probably not sufficient to demonstrate the benefit.

Wahls, Richard A.↗

NASA NTRS1999

Prediction and Assessment of Reynolds Number Sensitivities Associated with Wing Leading-Edge Radius Variations

The primary objectives of this study were to expand the data base showing the effects of LE radius distribution and corresponding sensitivity to Rn at subsonic and transonic conditions, and to assess the predictive capability of CFD for these effects. Several key elements led to the initiation of this project: 1) the necessity of meeting multipoint design requirements to enable a viable HSCT, 2) the demonstration that blunt supersonic leading-edges can be associated with performance gain at supersonic speeds , and 3) limited data. A test of a modified Reference H model with the TCA planform and 2 LE radius distributions was performed in the NTF, in addition to Navier-Stokes analysis for an additional 3 LE radius distributions. Results indicate that there is a tremendous potential to improve high-lift performance through the use of a blunt LE across the span given an integrated, fully optimized design, and that low Rn data alone is probably not sufficient to demonstrate the benefit.

Wahls, Richard A.↗

NASA NTRS2004

Detecting Pyrolysis Products from Bacteria in a Mars Soil Analogue

One of the primary objectives of the 1976 Viking missions was to determine whether organic compounds, possibly of biological origin, were present in the Martian surface soils. The Viking gas chromatography mass spectrometry (GCMS) instruments found no evidence for any organic compounds of Martian origin above a few parts per billion in the upper 10 cm of surface soil, suggesting the absence of a widely distributed Martian biota. However, it is now known that key organic compounds important to biology, such as amino acids, carboxylic acids and nucleobases, would likely have been missed by the Viking GCMS instruments. In this study, a Mars soil analogue that was inoculated with approx. 10 billion Escherichia coli cells was heated at 500 C under Martian ambient pressure to release volatile organic compounds from the sample. The pyrolysis products were then analyzed for amino acids and nucleobases using high performance liquid chromatography (HPLC) and GCMS. Our experimental results indicate that at the part per billion level, the degradation products generated from several million bacterial cells per gram of Martian soil would not have been detected by the Viking GCMS instruments. Upcoming strategies for Mars exploration will require in-situ analyses by instruments that can assess whether any organic compounds, especially those that might be associated with life, are present in Martian surface samples.

Glavin, D. P.↗

DOE OSTI2024

Effects of temperature inversion on densification in chemical vapor infiltration

In a classical chemical vapor infiltration (CVI) process, the competing effects of chemical kinetics and reagent gas transport lead to non–uniform depositions such that outer layers of a preform densify faster leaving the core highly porous. Currently, CVI must be performed at a sufficiently low temperature to achieve good densification quality which leads to high processing time and cost. Volumetric heating of the preform, especially through microwaves, can create temperature inversion such that the core is hotter than the outer surface and potentially, overcome the challenges associated with isothermal CVI. Direct numerical simulations (DNS) of densification under various such temperature distributions indicate that microwave heating in CVI processing can lead to better (uniform) densification of porous preforms. Here the role of key parameters describing the temperature distributions on the densification behavior is investigated. Strategic temporal control of the temperature distribution shows that processing times can be reduced by almost half while maintaining a good densification quality similar to that of low–temperature isothermal processing. Inside–out densification due to the inverted temperature profile is a key distinguishing characteristic of microwave assisted CVI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Ocean Energy: Markets - Currency - Impact. Dimension of & Choices in the Technology Development Space: Preprint

This paper presents considerations of the employment of ocean wave energy to support different energy demand side applications. The key aspect in these considerations is the wave energy supported achievable positive impact and associated tangible contribution in service of common societal good and of the natural commons. The level of impact that can be delivered is dependent on both, the level of contribution of the supported energy use application, and the compatibility and unique suitability of the wave energy resource and its characteristics with the needs of the application. Thus, a variety of ocean wave energy markets, the key value indicators or "currency' in which these markets trade the value delivered and the achievable positive impact, are reflected upon. Ocean wave energy supported acquisition of high quality ocean system data across a wide spectrum of system properties is identified as a highly impactful application enabling and/or improving a comprehensive range of impactful ocean system activities. The technology development process towards these markets and desired impacts requires relevant technology development progress guidance and metrics. Going beyond technology readiness levels and technology performance levels, the notion of further technology development progress scales towards high impact and high contribution are proposed. These scales and the associated technology properties can be regarded as additional technology development dimensions to span-up the technology development space in which desired system capability and functional requirement choices and subsequent ideation, innovation, research and technology development decisions can and are to be made.

data market↗

DOE OSTI2019

Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen

Producing liquid fuels such as ethanol from CO 2 , H 2 O, and renewable electricity offers a route to store sustainable energy. The search for efficient electrocatalysts for the CO 2 reduction reaction relies on tuning the adsorption strength of carbonaceous intermediates. Here, we report a complementary approach in which we utilize hydroxide and oxide doping of a catalyst surface to tune the adsorbed hydrogen on Cu. Density functional theory studies indicate that this doping accelerates water dissociation and changes the hydrogen adsorption energy on Cu. We synthesize and investigate a suite of metal-hydroxide-interface-doped-Cu catalysts, and find that the most efficient, Ce(OH) x -doped-Cu, exhibits an ethanol Faradaic efficiency of 43% and a partial current density of 128 mA cm -2 . Mechanistic studies, wherein we combine investigation of hydrogen evolution performance with the results of operando Raman spectroscopy, show that adsorbed hydrogen hydrogenates surface *HCCOH, a key intermediate whose fate determines branching to ethanol versus ethylene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

California's harvested wood products: A time-dependent assessment of life cycle greenhouse gas emissions

Following life-cycle assessment (LCA) methodology, this study presents a state-level estimation of embodied carbon of wood products harvested in 2019 from California and subsequently processed, manufactured, transported, used, and disposed at the end-of-life (EoL). In a conventional static approach to LCA, all GHG emissions were aggregated and considered to occur at year 0 of the given time horizon (500 years in this study) and used a static characterization factor (CF). In dynamic LCA, GHG emissions occurring in different years were considered, and their global warming impact (GWI) was determined using a time-dependent CF over the selected time horizon of 500 years. Four scenarios were developed to examine the impact of EoL choices on GWI. It was found that dynamic GWI for all scenarios ranged from 0.27 to 0.93 million tonne CO₂e, which were 45–73 % lower than those estimated with static LCA approach, indicating that the static LCA approach could lead to an underestimation of the benefits of substituting wood for non-wood products, compared to those based on dynamic LCA approach. This analysis also demonstrated that the choice of EoL treatment option is a key factor affecting the estimated GWI as it directly determines the annual emission of GHGs released into atmosphere and subsequently their warming effect depending on the time harvested wood products (HWPs) spend in the horizon of assessment. Altogether, the dynamic LCA performed in this study enabled more robust interpretations of embodied carbon by including temporal boundaries associated with the HWPs life cycle.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Boosted piezoelectricity with excellent thermal stability in tetragonal NaNbO 3 -based ceramics

The realization of high piezoelectric performance and excellent temperature stability simultaneously in Pb-free ceramics is the key for replacing Pb-containing perovskites in the industry. In this study, large piezoelectric performance (d 33 = 354 pC N –1 ) was achieved in a wide temperature sinterable potassium-free NaNbO 3 –BaTiO 3 –BaSnO 3 system, which is twice more than the piezoelectricity found in NaNbO 3 –BaTiO 3 binary ceramics. Structural refinement of high-energy synchrotron powder diffraction data suggests a single tetragonal structure with P4bm symmetry for the studied NaNbO 3 -based Pb-free ceramic. The results indicate that the small axial ratio favoring polarization reorientation benefits strong piezoelectricity, while the large oxygen octahedron tilt enhances the stability of the P4bm structure during the changing temperature according to the in situ high-energy synchrotron X-ray diffraction measurements and provides the foundation for the excellent thermal stability (20–100 °C) of the piezoelectric properties. Furthermore, a single tetragonal phase with a tiny axial ratio and large oxygen octahedron tilt effectively balances the piezoelectricity and thermal stability in Pb-free systems.

36 MATERIALS SCIENCE↗

NASA NTRS2008

Lunar Surface Propagation Modeling and Effects on Communications

This paper analyzes the lunar terrain effects on the signal propagation of the planned NASA lunar wireless communication and sensor systems. It is observed that the propagation characteristics are significantly affected by the presence of the lunar terrain. The obtained results indicate that the terrain geometry, antenna location, and lunar surface material are important factors determining the propagation characteristics of the lunar wireless communication systems. The path loss can be much more severe than the free space propagation and is greatly affected by the antenna height, operating frequency, and surface material. The analysis results from this paper are important for the lunar communication link margin analysis in determining the limits on the reliable communication range and radio frequency coverage performance at planned lunar base worksites. Key Words lunar, multipath, path loss, propagation, wireless.

Hwu, Shian U.↗

NASA NTRS1985

Effect of Landsat Thematic Mapper sensor parameters on land cover classification

Selected sensor parameter differences between TM and MSS were assessed through classification performance of a suburban/regional test site. Overall classification accuracy of a seven-band Landsat TM scene in comparison to MSS yielded an improvement in accuracy from 74.8 percent to 83.2 percent. To study the possible causes for the difference in classification performance, key sensor parameter differences between MSS and TM, including: (1) spatial resolution (30 m for TM versus 80 m for MSS), (2) quantization level (256 levels for TM versus 64 for MSS), and (3) spectral regions (seven bands in four major spectral regions for TM versus four bands in two regions for MSS), were evaluated. Landsat TM data were processed to stimulate all possible combinations of these MSS and TM parameters, yielding a three-factor design with two levels per factor. The results indicated that the added spectral regions (TM 1, TM 5, and TM 7) and to a lesser degree the increase in quantization level to eight bits produced the improved TM classification accuracy. However, in this study, the higher 30 m spatial resolution of TM contributed to a reduced classification accuracy from increased within-field variability or class heterogeneity.

Toll, D. L.↗

NASA NTRS2001

Integrated Modeling for the Next Generation Space Telescope "Yardstick" Concept

The so-called NASA "Yardstick" design concept for the Next Generation Space Telescope presents unique challenges for systems-level analysis. Simulations that integrate controls, optics, thermal, and structural models are required to evaluate baseline performance, study design sensitivities, and perform design optimization. An integrated modeling approach was chosen using a combination of commercial off-the-shelf and "in-house" developed codes. The resulting capability provides a foundation for linear and non-linear analysis, using both the time and frequency-domain methods. It readily allows various combinations of design parameters and environmental loads to be evaluated directly in terms of key science-related metrics, in this case the scalar RMS (root mean square) line-of-sight and RMS wavefront errors. This presentation first addresses the development of the component, or discipline, models for the Yardstick design. It will then proceed to present the integration of the component models, using linear-systems approaches, in order to support two of the most critical baseline performance analyses: jitter and thermal-elastic stability of the optical telescope assembly (OTA). The results of the jitter analysis indicate that disturbances from the reaction wheels coupled with the lightly-damped and highly-flexible structure present significant challenges to the baseline line-of-sight control architecture. Vibration isolation will be required to meet jitter error requirements. The results of the thermal-elastic analysis indicate that the mirror segment displacements due to ground-to-orbit cool-down of the telescope are within the expected capture range of the segment rigid-body control actuators. This means we will be able to align and phase the primary mirror. However, the results for the analysis of the thermal transient response following an attitude maneuver (slew) show that this telescope design is not sufficiently stable, passively, to meet the wavefront error requirements. Structural re-design is one possibility; alternatively, active thermal control of the OTA may be considered. The Yardstick integrated models were successfully used to demonstrate the feasibility of two thermal control strategies.

Mosier, Gary E.↗

NASA NTRSDate not supplied

A Study of Parallel Scalability and Dynamic Workload Balancing in GlennICE

The Glenn Icing Computational Environment (GlennICE) is a computational tool designed to calculate ice growth on complex three-dimensional geometries. It utilizes user-supplied computational fluid dynamics solutions for the geometry of interest. Key developments include advancements in convergence of collection efficiency, trajectory optimization, and refinement methodology. These improvements have significantly enhanced GlennICE’s efficiency for practical engineering applications. A recent study focused on benchmarking GlennICE’s scalability in a parallel environment using static scheduling. Findings indicated a potential twofold increase in efficiency through workload balance enhancements. This paper presents an analysis of the solver’s new workload balancing improvements, incorporating shared memory and dynamic scheduling routines. Results demonstrate a highly efficient and consistent algorithm across high-performance computing clusters.

Computational Icing↗

NASA NTRSDate not supplied

A Study of Parallel Scalability and Dynamic Workload Balancing in GlennICE

Computational Icing↗

DOE OSTI2025

An experimental and numerical investigation of HD diesel engine DOC efficiency in oxidizing NO to NO 2

Reducing pollutant emissions from heavy-duty (HD) diesel engines is critical due to their significant environmental impact, particularly concerning NOx emissions. Understanding and optimizing modern diesel oxidation catalyst (DOC) and selective catalytic reduction (SCR) performance is essential for improving exhaust aftertreatment (EAT) system efficiency to meet stringent emissions regulations. The oxidation of nitric oxide (NO) to nitrogen dioxide (NO 2 ) in DOC plays a key role in improving SCR efficiency in reducing NO x . This study investigates the DOC performance in oxidizing NO to NO2 and its impact on the SCR efficiency of a 2021 MY Navistar E39 HD diesel engine. The influence of engine speed, load, exhaust gas temperature, and composition on DOC efficiency is experimentally investigated. The relationships between DOC inlet temperature, oxygen availability and NO 2 /NO x ratio at the DOC inlet are examined to better understand their effects on the overall DOC efficiency. The results indicate that DOC NO oxidation efficiency is highly dependent on exhaust temperature, with optimal oxidation occurring within a specific temperature range (275-350°C). Below this threshold, the chemical reactions are kinetically limited, while at higher temperatures, thermodynamic constraints reduce the efficiency of DOC in oxidizing NO to NO 2 . The experimental data further reveal that the NO 2 /NO x ratio peaks at medium loads before declining at higher loads due to reduced residence time and mass transfer effects. Additionally, the SCR NO x conversion efficiency is significantly influenced by the NO 2 /NO x ratio, achieving peak performance when the NO 2 /NO x ratio approaches 0.5. A DOC chemistry model was developed and validated against the experimental data to predict DOC oxidation behavior under various operating conditions. The findings of this study provide insights into the interdependencies between DOC and SCR performance, contributing to the optimization of SCR systems for optimized NOx reduction.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Iron-based binary ferromagnets for transverse thermoelectric conversion

Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for application in energy harvesting technology because the transverse geometry of the Nernst effect should enable efficient, large-area and flexible coverage of a heat source. For such applications to be viable, substantial improvements will be necessary not only for their performance but also for the associated material costs, safety and stability. In terms of the electronic structure, the anomalous Nernst effect (ANE) originates from the Berry curvature of the conduction electrons near the Fermi energy. To design a large Berry curvature, several approaches have been considered using nodal points and lines in momentum space. Here we perform a high-throughput computational search and find that 25 percent doping of aluminium and gallium in alpha iron, a naturally abundant and low-cost element, dramatically enhances the ANE by a factor of more than ten, reaching about 4 and 6 microvolts per kelvin at room temperature, respectively, close to the highest value reported so far. The comparison between experiment and theory indicates that the Fermi energy tuning to the nodal web—a flat band structure made of interconnected nodal lines—is the key for the strong enhancement in the transverse thermoelectric coefficient, reaching a value of about 5 amperes per kelvin per metre with a logarithmic temperature dependence. We have also succeeded in fabricating thin films that exhibit a large ANE at zero field, which could be suitable for designing low-cost, flexible microelectronic thermoelectric generators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Single-atom molybdenum doping induces nickel oxide-to-hydroxide transformation for enhanced alkaline hydrogen evolution

NiMoO x compounds are widely regarded as among the most efficient non-noble metal catalysts for the hydrogen evolution reaction (HER). Nevertheless, understanding the structural evolution under in situ conditions and further enhancing their performance remain key challenges. Herein, we report that single-atom Mo doping in NiO significantly enhances its HER activity, reducing the overpotential to 131 mV at 10 mA cm −2 compared to undoped NiO. In situ X-ray absorption spectroscopy and Raman spectroscopy reveal that under catalytic conditions, Mo single atoms remain structurally stable, while Ni 2+ species in NiO are converted to Ni(OH) 2 in alkaline media under the applied working potential for HER. Notably, this transformation is absent in undoped NiO, indicating that Mo doping promotes the formation of active Ni(OH) 2 sites, which, in turn, accelerate the rate-limiting water dissociation step. These findings provide critical mechanistic insights into the structural evolution of NiMoO x during alkaline HER and highlight the importance of in situ studies in the development of highly efficient catalysts.

58 GEOSCIENCES↗

DOE OSTI2022

Defining Lipidomic Responses to Coronavirus Infection

Highly pathogenic human coronavirus infection can cause a severe atypical, rapid onset pneumonia with a mortality rate of up to 10% for severe acute respiratory syndrome coronavirus 1 (SARS-CoV 1), 35% for Middle East respiratory syndrome coronavirus (MERS-CoV), or 1% for severe acute respiratory syndrome coronavirus 2 (SARS-CoV 2 causative agent of COVID 19). While medical countermeasures successfully controlled the worldwide SARS-CoV epidemic, the MERS-CoV epidemic is still ongoing and continues to be a concern for travelers in the Middle East and the multi-year SARS-CoV 2 pandemic underscore the importance of defining biomarkers that are diagnostic and/or predictive of severe disease outcomes for respiratory viruses. Systems biology approaches provide global snapshots of infection induced changes in host cells/tissues and provide extremely rich datasets for understanding host pathogen interactions. Metabolites, especially lipids, are critical for viral replication but less is understood about infection induced changes to lipids due to limits in lipid species detection and identification. To characterize how individual lipid species and proteins with lipid associated functions contribute to highly pathogenic human coronavirus replication and disease severity, existing datasets were probed to determine cell type specific lipid responses to MERS-CoV infection and verification studies were performed to determine if modification of the host lipid signature (by inhibiting enzymatic functions that produce specific lipid species) can perturb CoV replication in human lung cells. MERS-CoV infects human lung epithelial, endothelial and fibroblast cells. All three cell types were infected with MERS-CoV and samples collected to analyze lipids, proteins, metabolites, and transcripts from 12 to 48 hours post infection. Time matched mock-infected cells were collected in parallel for each cell type. Following sample and statistical analysis, functional enrichment and bioinformatic analysis was performed to identify differentially expressed lipids and proteins. Two lipid species were found to be significantly upregulated following MERS-CoV infection, ceramides, and triacylglycerol both of which are indicative of cells undergoing apoptotic cell death. In contrast, sphingomyelins (lipid molecules that can serve as a precursor for one pathway for ceramide synthesis) had significantly decreased expression in MERS-CoV infected cells. An inhibitor of acid sphingomyelinase (that converts sphingomyelin to ceramides and phosphorylcholine) reduced MERS-CoV replication suggesting that production of ceramides is key for successful viral replication and transmission. Acyl-CoA-synthetase 3 (ACSL3), the only protein whose function is lipid associated and had increased differential expression in our dataset, regulates the synthesis of triacylglycerol (increased expression). Inhibitors that directly block ACSL3 (Triacsin C) but not steps later in the triacylglycerol synthesis pathway (Etomoxir) inhibit MERS-CoV replication suggesting that triacylglycerol production and/or ACSL3 activity is also key for viral replication. ACSL3 expression is also upregulated in lung cancer cells and is predicted to promote continued cell viability which would also enhance viral replication. The differentially expressed lipid and lipid-associated protein species identified in our studies suggest that MERS-CoV infection is activating cellular death pathways to limit the number of cells that become infected but also stimulating the production of lipid-associated enzymes that can prolong host cell viability and the amount of time progeny virions can be produced and released. As the inhibitors that worked against MERS-CoV infection were also efficacious against SARS-CoV 2 infection, countermeasures that target these host pathways may provide novel ways to block highly pathogenic human coronavirus infection and/or prevent severe disease outcomes.

59 BASIC BIOLOGICAL SCIENCES↗