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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 253 records · Page 14

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗

The International Halley Watch

The program of the International Halley Watch (IHW) is analyzed stressing that proper planning and coordination will serve to maximize the scientific opportunities presented by the comet's passage. The Halley Watch comprises four parts: deep space observations, earth orbital observations, nonorbital flight techniques, and earth-based observation. The current status of each of these activities is examined presenting observing conditions of the comet in 1986 for observers at various latitudes. Design characteristics for potential Halley Comet missions (deep space) are also given, as are sample payloads for comet observations (earth orbital) and various international missions programs.

Friedman, L. D.↗

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

Materials trade study for lunar/gateway missions

The National Aeronautics and Space Administration (NASA) administrator has identified protection from radiation hazards as one of the two biggest problems of the agency with respect to human deep space missions. The intensity and strength of cosmic radiation in deep space makes this a 'must solve' problem for space missions. The Moon and two Earth-Moon Lagrange points near Moon are being proposed as hubs for deep space missions. The focus of this study is to identify approaches to protecting astronauts and habitats from adverse effects from space radiation both for single missions and multiple missions for career astronauts to these destinations. As the great cost of added radiation shielding is a potential limiting factor in deep space missions, reduction of mass, without compromising safety, is of paramount importance. The choice of material and selection of the crew profile play major roles in design and mission operations. Material trade studies in shield design over multi-segmented missions involving multiple work and living areas in the transport and duty phase of space mission's to two Earth-Moon co-linear Lagrange points (L1) between Earth and the Moon and (L2) on back side of the moon as seen from Earth, and to the Moon have been studied. It is found that, for single missions, current state-of-the-art knowledge of material provides adequate shielding. On the other hand, the choice of shield material is absolutely critical for career astronauts and revolutionary materials need to be developed for these missions. This study also provides a guide to the effectiveness of multifunctional materials in preparation for more detailed geometry studies in progress. c2003 COSPAR. Published by Elsevier Ltd. All rights reserved.

NASA Discipline Radiation Health↗

DEEP SPACE INDUSTRIALIZATION: Key To Sustainable Exploration, Development and Settlement of the Solar System

Recent developments related to deep space exploration and development have raised the question of whether the paradigm shift that many people have been expecting, from space exploration to space development and industrialization, is finally occurring. These recent events include Space Exploration Technologies (SpaceX) announcement that they have been contacted by two wealthy individuals who would like to travel around the Moon within the next two years and a recently reported story of Jeff Bezos’ proposal to the Trump Administration to offer cargo delivery services to the Lunar surface (Blue Moon) by mid 2020 as part of a public/private partnership with NASA. In addition Bob Bigelow, founder of Bigelow Aerospace, has announced the capability and desire to put a crewed space station in orbit around the Moon in this same 2020 time period. Moon Express has also recently announced that they are fully funded for their attempt to land their robotic probe on the lunar surface at the end of this year, not only to win the Google Lunar XPrize but also to jump start their lunar mining efforts. On the international front the Grand Duchy of Luxembourg has established a 200 million euro fund to invest in space mining companies with the aim of making Luxembourg the European leader in deep space commerce. To date they have made investments in two companies; Deep Space Industries and Planetary Resources both of which were established to prospect and mine near Earth asteroids. Other counties such as India, China, Japan and even Israel are eying this high frontier for deep space commerce. This paper will explore how these developments could help enable this deep space industrialization and jumpstart a thriving deep space economy. The role that NASA and the US government can and should play in this effort and the role of public/private partnerships will also be discussed. Finally, what these developments could lead to over the next 10-15 years will be analysed and the potential size of this deep space economy will be estimated.

Pittman, Robert B.↗

Were Ocean Impacts an Important Mechanism to Deliver Meteoritic Organic Matter to the Early Earth? Some Inferences from Eltanin

Several workers have addressed the potential for extraterrestrial delivery of volatles, including water and complex organic compounds, to the early Earth. For example, Chyba and Sagan (1992) argued that since impacts would destroy organic matter, most extraterrestrial organics must be delivered in the fine-fractions of interplanetary dust. More recent computer simulations (Pierazzo and Chyba, 1999), however, have shown that substantial amounts of amino acids may survive the impacts of large (km-sized) comets and that this may exceed the amounts derived from IDPs or Miller-Urey synthesis in the atmosphere. Once an ocean developed on the early Earth, impacts of small ,asteroids and comets into deep-ocean basins were potentially common and may have been the most likely events to deliver large amounts of organics. The deposits of the late Pliocene impact of the Eltanin asteroid into the Bellingshausen Sea provide the only record of a deep-ocean (approx. 5 km) impact that can be used to constrain models of these events. This impact was first discovered in 1981 as an Ir anomaly in sediment cores collected by the USNS Eltanin in 1965 (Kyte et al., 1981). In 1995, Polarstem expedition ANT XII/4 made the first geological survey of the suspected impact region. Three sediment cores sampled around the San Martin seamounts (approx. 57.5S, 91 W) contained well-preserved impact deposits that include disturbed ocean sediments and meteoritic impact ejecta (Gersonde et al., 1997). The latter is composed of shock- melted asteroidal materials and unmelted meteorites. In 2001, the FS Polarstem returned to the impact area during expedition ANT XVIII/5a. At least 16 cores were recovered that contain ejecta deposits. These cores and geophysical data from the expedition can be used to map the effects of the impact over a large region of the ocean floor.

Kyte, Frank T.↗

Double Layers in Expanding Plasmas and Their Relevance to the Auroral Plasma Processes

When a dense plasma consisting of a cold and a sufficiently warm electron population expands, a rarefaction shock forms. In the expansion of the polar wind in the magnetosphere, it has been previously shown that when a sufficiently warm electron population also exists, in addition to the usual cold ionospheric one, a discontinuity forms in the electrostatic potential distribution along the magnetic field lines. Despite the lack of spatial resolution and the assumption of quasi-neutrality in the polar wind models, such discontinuities have been called double layers (DLs). Recently similar discontinuities have been invoked to partly explain the auroral acceleration of electrons and ions in the upward current region. By means of one-dimensional Vlasov simulations of expanding plasmas, for the first time we make here the connection between (i) the rarefaction shocks, (ii) the discontinuities in the potential distributions, and (iii) DLs. We show that when plasmas expand from opposite directions into a deep density cavity with a potential drop across it and when the plasma on the high-potential side contains two electron populations, the temporal evolution of the potential and the plasma. distribution generates evolving multiple double layers with an extended density cavity between them. One of the DLs is the rarefaction-shock (RFS) and it forms by the reflections of the cold electrons coming from the high-potential side; it supports a part of the potential drop approximately determined by the hot electron temperature.

Singh, Nagendra↗

Double Layers in Expanding Plasmas and Their Relevance to the Auroral Plasma Processes

When a dense plasma consisting of a cold and a sufficiently warm electron population expands, a rarefaction shock forms [Bezzerides et al., 1978]. In the expansion of the polar wind in the magnetosphere, it has been previously shown that when a sufficiently warm electron population also exists, in addition to the usual cold ionospheric one, a discontinuity forms in the electrostatic potential distribution along the magnetic field lines [Barakat and Schunk, 1984]. Despite the lack of spatial resolution and the assumption of quasi-neutrality in the polar wind models, such discontinuities have been called double layers (DLs). Recently similar discontinuities have been invoked to partly explain the auroral acceleration of electrons and ions in the upward current region [Ergun et al., 2000]. By means of one-dimensional Vlasov simulations of expanding plasmas, for the first time we make here the connection between (1) the rarefaction shocks, (2) the discontinuities in the potential distributions, and (3) DLs. We show that when plasmas expand from opposite directions into a deep density cavity with a potential drop across it and when the plasma on the high-potential side contains hot and cold electron populations, the temporal evolution of the potential and the plasma distribution generates evolving multiple double layers with an ,extended density cavity between them. One of the DLs is the rarefaction-shock (RFS) and it forms by the reflections of the cold electrons coming from the high-potential side; it supports a part of the potential drop approximately determined by the hot electron temperature. The other DLs evolve from charge separations arising either from reflection of ions coming from the low-potential side or stemming from plasma instabilities; they support the rest of the potential drop. The instabilities forming these additional double layers involve electron-ion (e-i) Buneman or ion-ion (i-i) two-stream interactions. The electron-electron two-stream interactions on the high-potential side of the RFS generate electron-acoustic waves, which evolve into electron phase-space holes. The ion population originating from the low-potential side and trapped by the RFS is energized by the e-i and i-i instabilities and it eventually precipitates into the high-potential plasma along with an electron beam. Applications of these findings to the auroral plasma physics are discussed.

Singh, Nagendra↗

Operational Use of the AIRS Total Column Ozone Retrievals Along with the RGB Air Mass Product as Part of the GOES-R Proving Ground

The National Oceanic and Atmospheric Administration (NOAA) National Centers for Environmental Prediction (NCEP) Hydrometeorological Prediction Center (HPC) and Ocean Prediction Center (OPC) provide short-term and medium-range forecast guidance of heavy precipitation, strong winds, and other features often associated with mid-latitude cyclones over both land and ocean. As a result, detection of factors that lead to rapid cyclogenesis and high wind events is key to improving forecast skill. One phenomenon that has been identified with these events is the stratospheric intrusion that occurs near tropopause folds. This allows for deep mixing near the top of the atmosphere where dry air high in ozone concentrations and potential vorticity descends (sometimes rapidly) deep into the mid-troposphere. Observations from satellites can aid in detection of these stratospheric air intrusions (SAI) regions. Specifically, multispectral composite imagery assign a variety of satellite spectral bands to the red, green, and blue (RGB) color components of imagery pixels and result in color combinations that can assist in the detection of dry stratospheric air associated with PV advection, which in turn may alert forecasters to the possibility of a rapidly strengthening storm system. Single channel or RGB satellite imagery lacks quantitative information about atmospheric moisture unless the sampled brightness temperatures or other data are converted to estimates of moisture via a retrieval process. Thus, complementary satellite observations are needed to capture a complete picture of a developing storm system. Here, total column ozone retrievals derived from a hyperspectral sounder are used to confirm the extent and magnitude of SAIs. Total ozone is a good proxy for defining locations and intensity of SAIs and has been used in studies evaluating that phenomenon (e.g. Tian et al. 2007, Knox and Schmidt 2005). Steep gradients in values of total ozone seen by satellites have been linked to stratosphere-troposphere exchange (WMO, 1985).

Folmer, Michael↗

Enabling Future Low-Cost Small Mission Concepts

A SmallSat using a small Radioisotope Power System for deep space destinations could potentially fit into a Discovery class mission cost cap and perform significant science with a timely return of data. Only applicable when the Discovery 12 guidelines were applied. Commonality of hardware and science instruments among identical spacecraft enabled to meet the Discovery Class mission cost cap. Multiple spacecraft shared the costs of the Launch Approval Engineering Process. Assumed a secondary science instrument was contributed. Small RPS could provide small spacecraft with a relatively high power (approx. 60 We) option for missions to deep space destinations (> 10 AU) with multiple science instruments. Study of Centaur mission demonstrated the ability to achieve New Frontiers level science. Multiple spacecraft possible with small RPS, allowing for multiple targets, science from multiple platforms, and/or redundancy.

Lee, Young↗

Experimental Evaluation of Optically Polished Aluminum Panels on the Deep Space Network's 34 Meter Antenna

The potential development of large aperture ground?based "photon bucket" optical receivers for deep space communications has received considerable attention recently. One approach currently under investigation is to polish the aluminum reflector panels of 34?meter microwave antennas to high reflectance, and accept the relatively large spotsize generated by state of?the?art polished aluminum panels. Theoretical analyses of receiving antenna pointing, temporal synchronization and data detection have been addressed in previous papers. Here we describe the experimental effort currently underway at the Deep Space Network (DSN) Goldstone Communications Complex in California, to test and verify these concepts in a realistic operational environment. Two polished aluminum panels (a standard DSN panel polished to high reflectance, and a custom designed aluminum panel with much better surface quality) have been mounted on the 34 meter research antenna at Deep?Space Station 13 (DSS?13), and a remotely controlled CCD camera with a large CCD sensor in a weather?proof container has been installed next to the subreflector, pointed directly at the custom polished panel. The point?spread function (PSF) generated by the Vertex polished panel has been determined to be smaller than the sensor of the CCD camera, hence a detailed picture of the PSF can be obtained every few seconds, and the sensor array data processed to determine the center of the intensity distribution. In addition to estimating the center coordinates, expected communications performance can also been evaluated with the recorded data. The results of preliminary pointing experiments with the Vertex polished panel receiver using the planet Jupiter to simulate the PSF generated by a deep?space optical transmitter are presented and discussed in this paper.

optical receiver↗

Idealized Simulations of the Tropical Climate and Variability in the Single Column Atmosphere Model (SCAM): Radiative-Convective Equilibrium

To explore the interactions among column processes in the Community Atmosphere Model (CAM), the single-column version of CAM (SCAM) is integrated for 1000 days in radiative-convective equilibrium (RCE) with tropical values of boundary conditions, spanning a parameter or configuration space of model physics versions (v5 vs. v6), vertical resolution (standard and 60 levels), sea surface temperature (SST), and some interpretation-driven experiments. The simulated time-mean climate is reasonable, near observations and RCE of a cyclic cloud-resolving model. Updraft detrainment in the deep convection scheme produces distinctive grid-scale structures in humidity and cloud, which also interact with radiative transfer processes. These grid artifacts average out in multi-column RCE results reported elsewhere, illustrating the nuts-and-bolts interpretability that SCAM adds to the hierarchy of model configurations. Multi-day oscillations of precipitation arise from descent of warm convection-capping layers starting near the tropopause, eventually reset by a burst of convective deepening. Experiments reveal how these oscillations depend critically on an internal parameter that controls the number of neutral buoyancy levels allowed for determining cloud top and computing dilute convective available potential energy in the deep convection scheme, and merely modified a little by disabling cloud-base radiation (heating of cloud base). This strong dependence of transient behavior in 1D on this parameter will be tested in the second part of this work, in which SCAM is coupled to a parameterized dynamics of two-dimensional, linearized gravity wave, and in the 3D simulations in future study.

Meteorology & Atmospheric Sciences↗

Building Better Biosensors for Exploration into Deep-Space, Using Humanized Yeast

1.BioSentinel is 1 of 13 secondary payloads hitching a ride beyond Low Earth Orbit on Exploration Mission 1 (EM-1), set to launch from NASAs Space Launch System in 2019. EM-1 is our first opportunity to investigate the effects of the deep space environment on a eukaryotic biological system, the budding yeast S. cerevisiae. Though separated by a billion years of evolution we share hundreds of genes important for basic cell function, including responses to DNA damage. Thus, yeast is an ideal biosensor for detecting typesextent of damage induced by deep-space radiation.We will fly desiccated cells, then rehydrate to wake them up when the automated payload is ready to initiate the experiment. Rehydration solution contains SC (Synthetic Complete) media and alamarBlue, an indicator for changes in growth and metabolism. Telemetry of LED readings will then allow us to detect how cells respond throughout the mission. The desiccation-rehydration process can be extremely damaging to cells, and can severely diminish our ability to accurately measure and model cellular responses to deep-space radiation. The aim of this study is to develop a better biosensor: yeast strains that are more resistant to desiccation stress. We will over-express known cellular protectants, including hydrophilin Sip18, the protein disaggregase Hsp104, and thioredoxin Trx2, a responder to oxidative stress, then measure cell viability after desiccation to determine which factors improve stress tolerance. Over-expression of SIP18 in wine yeast starter cultures was previously reported to increase viability following desiccation stress by up to 70. Thus, we expect similar improvements in our space-yeast strains. By designing better yeast biosensors we can better prepare for and mitigate the potential dangers of deep-space radiation for future missions.This work is funded by NASAs AES program.

biosensor↗

Exploring Mars for Evidence of Habitable Environments and Life

The climate of Mars has been more similar to that of Earth than has the climate of any other planet in our Solar System. But Mars still provides a valuable alternative example of how planetary processes and environments can affect the potential presence of life elsewhere. For example, although Mars also differentiated very early into a core, mantle and crust, it then evolved mostly if not completely without plate tectonics and has lost most of its early atmosphere. The Martian crust has been more stable than that of Earth, thus it has probably preserved a more complete record of its earliest history. Orbital observations determined that near-surface water was once pervasive. Orbiters have identified the following diverse aqueous sedimentary deposits: layered phyllosilicates, phyllosilicates in intracrater fans, plains sediments potentially harboring evaporitic minerals, deep phyllosilicates, carbonate-bearing deposits, intracrater clay-sulfate deposits, Meridiani-type layered deposits, valles-type layered deposits, hydrated silica-bearing deposits, and gypsum plains. These features, together with evidence of more vigorous past geologic activity, indicate that early climates were wetter and perhaps also somewhat warmer. The denser atmosphere that was required for liquid water to be stable on the surface also provided more substantial protection from radiation. Whereas ancient climates might have favored habitable environments at least in some localities, clearly much of the Martian surface for most of its history has been markedly less favorable for life. The combination of dry conditions, oxidizing surface environments and typically low rates of sedimentation are not conducive to the preservation of evidence of ancient environments and any biota. Thus a strategy is required whereby candidate sites are first identified and then characterized for their potential to preserve evidence of past habitable environments. Rovers are then sent to explore the most promising candidates. The Mars Exploration Rover (MER) Opportunity revealed that water once flowed to the surface across the vast Meridiani plains, creating saline lakes whose waters were roiled by ancient winds that also sculptured their salt deposits into sand dunes. Opportunity then drove more than 30 km to explore even older deposits on a crater rim. MER Spirit found evidence that thermal waters (heated by volcanism or by impacts?) altered rocks to create sulfate salts, and siliceous sinters. These discoveries indicate that an early hydrological cycle apparently sustained precipitation, streams and lakes. Liquid water participated in rock weathering reactions, such as iron and sulfur oxidation, that created distinctive weathering regimes. Volcanism, impacts, groundwater and ice interacted at least locally. Redox chemical energy from volcanism, hydrothermal activity and weathering of crustal materials would have been available for any life. Thus conditions might have supported life in the past, at least locally. The main objective of the Mars Science Laboratory (MSL) Curiosity rover is to determine the extent to which Gale crater hosted environments capable of supporting microbial life. The rover has already found stream gravels as well as sediments that might have been deposited in an ancient lake. The rover is now traversing to Mt. Sharp, a 5 km-high mound that is located on the crater floor and that exhibits layered sedimentary rocks having diverse minerals (sulfates and clays) that apparently formed in the presence of liquid water. This rock sequence was deposited over an extended time period in diverse potentially habitable watery environments. Curiosity is poised to characterize a a well-preserved rock record of hundreds of millions of years of diverse environments and profound climate change.

layered phyllosilicates↗

Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning

In this article, an innovative strategy is presented that incorporates deep auto-encoder networks into a least-squares fitting framework to address the potential inversion problem in small-angle scattering. To evaluate the performance of the proposed approach, a detailed case study focusing on charged colloidal suspensions was carried out. The results clearly indicate that a deep learning solution offers a reliable and quantitative method for studying molecular interactions. The approach surpasses existing deterministic approaches with respect to both numerical accuracy and computational efficiency. Overall, this work demonstrates the potential of deep learning techniques in tackling complex problems in soft-matter structures and beyond.

36 MATERIALS SCIENCE↗

NASA's Discovery Program: Moving Toward the Edge (of the Solar System)

NASA's Planetary Science , Division sponsors a competitive program of small spacecraft missions with the goal of performing focused science investigations that complement NASA's larger planetary science explorations at relatively low cost. The goal of the Discovery program is to launch many smaller missions with fast development times to increase our understanding of the solar system by exploring the planets, dwarf planets, their moons, and small bodies such as comets and asteroids. Discovery missions are solicited from the broad planetary science community approximately every 2 years. Active missions within the Discovery program include several with direct scientific or engineering connections to potential future missions to the edge of the solar system and beyond. In addition to those in the Discovery program are the missions of the New Frontiers program. The first New Frontiers mission. is the New Horizons mission to Pluto, which will explore this 38-AU distant dwarf planet and potentially some Kuiper Belt objects beyond. The Discovery program's Dawn mission, when launched in mid-2007, will use ion drive as its primary propulsion system. Ion propulsion is one of only two technologies that appear feasible for early interstellar precursor missions with practical flight times. The Kepler mission will explore the structure and diversity of extrasolar planetary systems, with an emphasis on the detection of Earth-size planets around other stars. Kepler will survey nearby solar systems searching for planets that may fall within the habitable zone,' a region surrounding a star within which liquid water may exist on a planet's surface - an essential ingredient for life as we know it. With its open and competitive approach to mission selections, the Discovery program affords scientists the opportunity to propose missions to virtually any solar system destination. With its emphasis on science and proven openness to the use of new technologies such as ion propulsion, missions flown as part of the program will test out technologies needed for future very deep-space exploration and potentially take us to these difficult and distant destinations.

Johnson, Les↗

Metagenomic mapping of cyanobacteria and potential cyanotoxin producing taxa in large rivers of the United States

Abstract Cyanobacteria and cyanotoxin producing cyanobacterial blooms are a trending focus of current research. Many studies focus on bloom events in lentic environments such as lakes or ponds. Comparatively few studies have explored lotic environments and fewer still have examined the cyanobacterial communities and potential cyanotoxin producers during ambient, non-bloom conditions. Here we used a metagenomics-based approach to profile non-bloom microbial communities and cyanobacteria in 12 major U.S. rivers at multiple time points during the summer months of 2019. Our data show that U.S. rivers possess microbial communities that are taxonomically rich, yet largely consistent across geographic location and time. Within these communities, cyanobacteria often comprise significant portions and frequently include multiple species with known cyanotoxin producing strains. We further characterized these potential cyanotoxin producing taxa by deep sequencing amplicons of the microcystin E ( mcyE ) gene. We found that rivers containing the highest levels of potential cyanotoxin producing cyanobacteria consistently possess taxa with the genetic potential for cyanotoxin production and that, among these taxa, the predominant genus of origin for the mcyE gene is Microcystis . Combined, these data provide a unique perspective on cyanobacteria and potential cyanotoxin producing taxa that exist in large rivers across the U.S. and can be used to better understand the ambient conditions that may precede bloom events in lotic freshwater ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗