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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1979

Some simple properties of stellar pulsation modes

Except for the lowest harmonics, small-amplitude stellar pulsation modes possess many simple properties whose evaluation does not require numerical integration of the fourth-order equations of motion. All antinodes tend to have the same total kinetic energy except for those lying near physical or geometric boundaries. However, when kinetic energy per unit volume is considered, order-of-magnitude enhancements are seen in antinodes lying near the center of the star, and factor-of-2 enhancements occur near the polar axis. The nodes are distributed very regularly along the radius. They follow an exponential law in g-regions, and their separation is proportional to the sound travel time in p-regions. A simple graphical procedure is described for surveying the oscillation frequencies of a new stellar model. A precise condition is derived giving the division of energy between radial and angular motion. Another condition gives the fractional contribution to the velocity field of its two sources, the divergence and the curl. Certain simplifying results of weak coupling among the linear modes are briefly described.

Wolff, C. L.↗
NASA NTRSDate not supplied

Suborbital Lunar Gravity Experiment of an Electrodynamic Regolith Conveyor

NASA’s Swamp Works Electrostatics and Surface Physics Laboratory (ESPL) is planning to test a 4-phase electrodynamic regolith conveyor in simulated lunar gravity on a suborbital flight in 2023. A 4-phase electrodynamic regolith conveyor could convey regolith without the risk of rotating or vibratory actuation, which could jam or require regular maintenance due to the abrasive nature of lunar regolith. Another advantage of electrodynamic conveying is the reduction of conveying power, which is important considering the limited scale of available early-stage lunar power systems. The current state of the art(SOA) for lunar regolith conveying is based on recent NASA system studies for oxygen production plants. These plant designs require conveying rates around 100 kg/hr, to produce 10 mT/yr of oxygen from the regolith. To accomplish this, conventional augers and vibratory spiral conveyors have been identified as the SOA or the leading candidates due to their extensive use in the terrestrial material handling industry. At NASA KSC, the use of dynamic electric fields, generated by alternating high voltage on electrodes, has been developed as a dust mitigation solution known as the Electrodynamic Dust Shield (EDS). The EDS is being developed for lenses, solar panels, radiators, fabric and seals. ESPL researchers have shown the ability to move thin layers (~ a few mm) of dust with mW of power. In Academia, researchers have shown the ability to electrodynamically convey regolith up to ~1 kg/hr with a4-phase EDS and electromagnetically convey particles that would suggest a lunar regolith conveying rate of ~25 kg/hr. This paper will describe the design and expected operation of a 4-phase electrodynamic regolith conveyor in lunar gravity. This paper will also describe how an electrodynamic conveyor could be scaled for transporting ISRU relevant flow rates.

Aaron D S Olson↗
DOE OSTI2020

The Table of Standard Atomic Weights—an exercise in consensus

The present Table of Standard Atomic Weights (TSAW) of the elements is perhaps one of the most familiar datasets in science. Unlike most parameters in physical science whose values and uncertainties are evaluated using the “Guidelines for Uncertainty in Measurement” (GUM), the majority of standard atomic-weight values and their uncertainties are consensus values, not GUM-evaluated values. The Commission on Isotopic Abundances and Atomic Weights of the International Union of Pure and Applied Chemistry (IUPAC) regularly evaluates the literature for new isotopic-abundance measurements that can lead to revised standard atomic-weight values, A r (E) for element E. The Commission strives to provide utmost clarity in products it disseminates, namely the TSAW and the Table of Isotopic Compositions of the Elements (TICE). In 2016, it was recognized by the Commission that a guideline recommending expression of uncertainty listed in parentheses following the standard atomic-weight value, e.g. A r (Se) = 78.971(8), is not in accord with the GUM, which suggests that this parenthetic notation be reserved to express standard uncertainty, not the expanded uncertainty used in the TSAW and TICE. In 2017, to eliminate this noncompliance with the GUM, a new format was adopted in which the uncertainty value is specified by the plus-minus symbol, e.g. A r (Se) = 78.971 ± 0.008. To clarify the definition of uncertainty, a new footnote has been added to the TSAW. This footnote emphasizes that an atomic-weight uncertainty is a consensus (decisional) uncertainty. Not only has the Commission shielded users of the TSAW and TICE from unreliable measurements that appear in the literature as a result of unduly small uncertainties, but the aim of IUPAC has been fulfilled by which any scientist, taking any natural sample from commerce or research, can expect their sample atomic weight to lie within A r (E) ± its uncertainty almost all of the time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Outsourced hearing in an orb-weaving spider that uses its web as an auditory sensor

Hearing is a fundamental sense of many animals, including all mammals, birds, some reptiles, amphibians, fish, and arthropods. The auditory organs of these animals are extremely diverse in anatomy after hundreds of millions of years of evolution, yet all are made up of cellular tissue and are morphologically part of the bodies of animals. Here, we show that hearing in the orb-weaving spider Larinioides sclopetarius is not constrained by the organism’s body but is extended through outsourcing hearing to its extended phenotype, the proteinaceous, self-manufactured orb web. We find that the wispy, wheel-shaped orb web acts as a hyperacute acoustic antenna to capture the sound-induced air particle movements that approach the maximum physical efficiency better than the acoustic responsivity of all previously known eardrums. By sensing the motion of web threads, the spider remotely detects and localizes the source of an incoming airborne acoustic wave, such as those emitted by approaching prey or predators. By outsourcing its acoustic sensors to its web, the spider is released from body size constraints and permits the araneid spider to increase its sound-sensitive surface area enormously, up to 10,000 times greater than the spider itself. The spider also enables the flexibility to functionally adjust and regularly regenerate its external "eardrum" according to its needs. The outsourcing and supersizing of auditory function in spiders provides unique features for studying extended and regenerative sensing and designing novel acoustic flow detectors for precise fluid dynamic measurement and manipulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The deep-DRT: A deep neural network approach to deconvolve the distribution of relaxation times from multidimensional electrochemical impedance spectroscopy data

Electrochemical impedance spectroscopy (EIS) is an experimental technique ubiquitously used to study electrochemical systems. However, conventional EIS data interpretation through physical and equivalent circuit models is challenging because physical models are problem-specific, and equivalent circuits are often just lumped-element analogs lacking physical meaning. The distribution of relaxation times (DRT) has emerged as a complementary approach to resolve these issues. One drawback of conventional DRT deconvolution is that the EIS data is understood to be (only) a function of frequency (i.e. 1D data) and deconvolved accordingly. This work proposes a novel deconvolution method based on deep neural networks (DNNs), allowing the analysis of multidimensional EIS spectra to bridge data dependency on both frequencies and experimental conditions. Two particularly appealing traits of the deep-DRT method developed in this article are that neither regularization nor specific spacing on the state variables defining the experiment are required. Finally, leveraging DNN to examine complex EIS spectra and their dependence on experimental conditions, this work opens a new research direction in the area of EIS analysis and DRT deconvolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Climate Reanalysis: Progress and Future Prospects

Reanalysis is the process whereby an unchanging data assimilation system is used to provide a consistent reprocessing of observations, typically spanning an extended segment of the historical data record. The process relies on an underlying model to combine often-disparate observations in a physically consistent manner, enabling production of gridded data sets for a broad range of applications including the study of historical weather events, preparation of climatologies, business sector development and, more recently, climate monitoring. Over the last few decades, several generations of reanalyses of the global atmosphere have been produced by various operational and research centers, focusing more or less on the period of regular conventional and satellite observations beginning in the mid to late twentieth century. There have also been successful efforts to extend atmospheric reanalyses back to the late nineteenth and early twentieth centuries, using mostly surface observations. Much progress has resulted from (and contributed to) advancements in numerical weather prediction, especially improved models and data assimilation techniques, increased computing capacity, the availability of new observation types and efforts to recover and improve the quality of historical ones. The recent extension of forecast systems that allow integrated modeling of meteorological, oceanic, land surface, and chemical variables provide the basic elements for coupled data assimilation. This has opened the door to the development of a new generation of coupled reanalyses of the Earth system, or integrated Earth system analyses (IESA). Evidence so far suggests that this approach can improve the analysis of currently uncoupled components of the Earth system, especially at their interface, and lead to increased predictability. However, extensive analysis coupling as envisioned for IESA, while progressing, still presents significant challenges. These include model biases that can be exacerbated when coupled, component systems with different physical characteristics and different spatial and temporal scales, and component observations in different media with different spatial and temporal frequencies and different latencies. Quantification of uncertainty in reanalyses is also a critical challenge and is important for expanding their utility as a tool for climate change assessment. This talk provides a brief overview of the progress of reanalysis development during recent decades, and describes remaining challenges in the progression toward coupled Earth system reanalyses.

IES↗
DOE OSTI2024

The 2023 Gold Run in the Injectors

RHIC Run 23 used Gold beam from Tandem with an AGS extraction energy of 9.8 GeV. The same basic setup, 8 single bunch transfers from the Booster and a 12-6 merge in the AGS to provide 4 bunches at extraction, had been used before to deliver Tandem Au to RHIC. But in those cases, it was used for low energy runs (3.85 GeV in 2021 and 5.75 GeV in 2020) where extraction was below transition energy (7.9 GeV). Tandem beam was used for this run because the intensity and stability of EBIS Au did not meet the requirements for RHIC. Physics was first declared in RHIC on May 22 nd and on August 1 st the run was cut short by about 2 months due to a major failure in RHIC. Prior to the advent of EBIS as the preinjector in 2012, 9.8 GeV Tandem Au was regularly delivered to RHIC but the setup in the Booster and AGS was quite different: Four Booster transfers of 6 bunches each were merged into 4 bunches using a 24-12-4 merge scheme. The supercycle length was 6.0 sec before June 29 th when it was extended to 6.6 sec to accommodate EBIS commissioning. The Tandem, Booster, and AGS were on user 1 for the 9.8 GeV setup. Some work with EBIS Au 32+ took place on EBIS, Booster, and AGS user 5 using the standard 9.8 GeV injector setup with a 4 to 1 merge in Booster and a 6-3-1 type merge in AGS. The Siemens motor generator was used for the entire run. An intensity limit of 8.0e9 Au 77+ ions in the AGS was in effect during the run to protect the J7 plunging stripping foil and the Copper absorber of the AGS beam dump. This corresponds to a merged bunch intensity limit of 2.0e9 Au 77+ ions for 4 equal intensity bunches. The per bunch intensity limit can be increased to 2.67e9 by reducing the number of BtA transfers from 8 to 6. There was also a Booster Late intensity limit of 16e9 Au ions in effect to protect the BtA stripping foil from damage due to overheating. Lowering the number of transfers also makes this limit less of a constraint. BtA foil 5, which was installed in 2020 and had not been used regularly prior to this run was used all run and showed no obvious signs of deterioration. In May, a Tandem Au 3.85 GeV setup from 2021 was also re-established on AGS user 2. It was used for APEX on May 24 and July 26. Initial work with 3.85 GeV beam was on May 19. Proton beam was also set up during the run and extracted to W dump on July 10. It was used for APEX on July 12. Although the OPPIS source was used the AGS setup was without snakes.

43 PARTICLE ACCELERATORS↗
NASA NTRS2007

Dynamic Theory of Relativistic Electrons Stochastic Heating by Whistler Mode Waves with Application to the Earth Magnetosphere

In the Hamiltonian approach an electron motion in a coherent packet of the whistler mode waves propagating along the direction of an ambient magnetic field is studied. The physical processes by which these particles are accelerated to high energy are established. Equations governing a particle motion were transformed in to a closed pair of nonlinear difference equations. The solutions of these equations have shown there exists the energetic threshold below that the electron motion is regular, and when the initial energy is above the threshold an electron moves stochastically. Particle energy spectra and pitch angle electron scattering are described by the Fokker-Planck-Kolmogorov equations. Calculating the stochastic diffusion of electrons due to a spectrum of whistler modes is presented. The parametric dependence of the diffusion coefficients on the plasma particle density, magnitude of wave field, and the strength of magnetic field is studies. It is shown that significant pitch angle diffusion occurs for the Earth radiation belt electrons with energies from a few keV up to a few MeV.

Khazanov, G. V.↗
NASA NTRS2010

The Effect of Satellite Observing System Changes on MERRA Water and Energy Fluxes

Because reanalysis data sets offer state variables and fluxes at regular space / time intervals, atmospheric reanalyses have become a mainstay of the climate community for diagnostic purposes and for driving offline ocean and land models. Although one weakness of these data sets is the susceptibility of the flux products to uncertainties because of shortcomings in parameterized model physics, another issue, perhaps less appreciated, is the fact that continual but discreet changes in the evolving observational system, particularly from satellite sensors, may also introduce artifacts in the time series of quantities. In this paper we examine the ability of the NASA MERRA (Modern Era Retrospective Analysis for Research and Applications) and other recent reanalyses to determine variability in the climate system over the satellite record (approximately the last 30 years). In particular we highlight the effect on the reanalysis of discontinuities at the junctures of the onset of passive microwave imaging (Special Sensor Microwave Imager) in late 1987 as well as improved sounding and imaging with the Advanced Microwave Sounding Unit, AMSU-A, in 1998. We first examine MERRA fluxes from the perspective of how physical modes of variability (e.g. ENSO events, Pacific Decadal Variability) are contaminated by artificial step-like trends induced by the onset of new moisture data these two satellite observing systems. Secondly, we show how Redundancy Analysis, a statistical regression methodology, is effective in relating these artifact signals in the moisture and temperature analysis increments to their presence in the physical flux terms (e.g. precipitation, radiation). This procedure is shown to be effective greatly reducing the artificial trends in the flux quantities.

Robertson, Franklin R.↗
NASA NTRS2011

The Effect of Satellite Observing System Changes on MERRA Water and Energy Fluxes

Because reanalysis data sets offer state variables and fluxes at regular space / time intervals, atmospheric reanalyses have become a mainstay of the climate community for diagnostic purposes and for driving offline ocean and land models. Although one weakness of these data sets is the susceptibility of the flux products to uncertainties because of shortcomings in parameterized model physics, another issue, perhaps less appreciated, is the fact that continual but discreet changes in the evolving observational system, particularly from satellite sensors, may also introduce artifacts in the time series of quantities. In this paper we examine the ability of the NASA MERRA (Modern Era Retrospective Analysis for Research and Applications) and other recent reanalyses to determine variability in the climate system over the satellite record (approx. the last 30 years). In particular we highlight the effect on the reanalysis of discontinuities at the junctures of the onset of passive microwave imaging (Special Sensor Microwave Imager) in late 1987 and, more prominently, with improved sounding and imaging with the Advanced Microwave Sounding Unit, AMSU-A, in 1998. We first examine MERRA fluxes from the perspective of how physical modes of variability (e.g. ENSO events, Pacific Decadal Variability) are contained by artificial step-like trends induced by the onset of new moisture data these two satellite observing systems. Secondly, we show how Redundancy Analysis, a statistical regression methodology, is effective in relating these artifact signals in the moisture and temperature analysis increments to their presence in the physical flux terms (e.g. precipitation, radiation). This procedure is shown to be effective greatly reducing the artificial trends in the flux quantities.

Robertson, Franklin R.↗
DOE OSTI2020

Deep Eutectic Solvents: A Review of Fundamentals and Applications

Deep eutectic solvents (DESs) are an emerging class of mixtures characterized by significant depressions in melting points compared to those of the neat constituent components. These green materials are promising for applications as inexpensive ’designer’ solvents exhibiting a host of tunable physicochemical properties. Here, a detailed review of the current literature reveals the lack of predictive understanding of the microscopic mechanisms that govern the structure-property relationships in this class of solvents. Complex hydrogen bonding behavior is postulated as the root cause of their melt-ing point depressions and physicochemical properties; to understand these hydrogen bonded networks, it is imperative to study these systems as dynamic entities using both simulations and experiments. This review emphasizes recent research efforts in order to elucidate the next steps needed to develop a fundamental framework for understanding DESs. It covers recent developments in DES research, frames outstanding scientific questions, and identifies gainful research thrusts that would advance the field towards predictive models and fundamental understanding of these solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green’s functions

In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green’s function approach [Rehr et al., J. Chem. Phys. 152, 174113 (2020)]. We specifically focus on identifying the limitations of the original time-dependent coupled cluster (TDCC) ansatz and propose an enhanced double TDCC ansatz, ensuring the exactness in the expansion limit. In addition, we introduce a practical cluster-analysis-based approach for characterizing the peaks in the computed spectral function from the RT-EOM-CC cumulant Green’s function approach, which is particularly useful for the assignments of satellite peaks when many-body effects dominate the spectra. Our preliminary numerical tests focus on reproducing, approximating, and characterizing the exact impurity Green’s function of the three-site and four-site single impurity Anderson models using the RT-EOM-CC cumulant Green’s function approach. The numerical tests allow us to have a direct comparison between the RT-EOM-CC cumulant Green’s function approach and other Green’s function approaches in the numerical exact limit.

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

Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory

The Gutzwiller conjugate gradient minimisation (GCGM) theory is an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. Previous applications of GCGM provides satisfying accuracy of ground-state energy of Hubbard models. In the current work, we address the problem of whether the obtained wave function is a good approximation for the true ground state by comparing the correlation functions with the benchmark data. Additionally, our results confirms the accuracy of the reproduced ground state of the regular Hubbard model, but with some exception for the frustrated Hubbard model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Aerosol Particle Mixing State and Composition at AMF3 (Interim Field Campaign Report)

The campaign is designed to support deployment of aerosol sampling equipment at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s third ARM Mobile Facility (AMF3) to enable both singe-particle and bulk characterization of the aerosol particles at the field site in Bankhead National Forest, northern Alabama. We are proposing to do this work as part of our proposal “Generalizing aerosol mixing state: synthesis from observations and connection to models,” which has the pre-proposal tracking number PRE-0000035878. The full proposal has Dr. Rachel O’Brien as the Principal Investigator (PI) and Dr. Andy Ault and Dr. Nicole Riemer as Co-PIs. We sought to deploy instruments in winter 2025 and summer 2025 to obtain samples in different seasons, but were delayed by AMF3 set-up and availability of students and PIs. We just completed our first deployment this summer (2025) and we are interested in obtaining samples during this upcoming fall and winter to see the seasonal trends in aerosol mixing state at the site. This will provide a comparison of the impact of biogenic emissions on the mixing state and the chemical composition of the aerosol particles. Overall, the proposed study will provide key information regarding the mixing state of aerosol particles at AMF3 with direct ties to impacts of the particles on cloud formation and light scattering/absorption. From our deployment that ended las week we have some visible observations from our samples. We are observing a regular amount of black carbon on stage 6 of our Micro-Orifice Uniform Deposit Impactor (MOUDI) and we have also observed some short, large increases in aerosol loading. We hope to continue observations of these two features to determine the sources/aging for the black carbon and the physical mixing state as well as the sources for the short (a few minutes) increases in the aerosol loading and determine if the source for these is dust or sea salt or another source. We are also interested in comparing the black carbon we see here to samples collected during the agriculture burns in January/February and in comparing the larger particles to bioaerosols in the spring. To obtain these comparisons, we will need to collect more samples in the other seasons. Finally, we have some size-resolved particle collectors that can be deployed at the same time as the tethered balloon launches. We have discussed with Swarup China about trying to get the timing to work in August and we are interested in coordinating again later, if possible. This will give us ground-level and vertical aerosol mixing state sample sets that will be very exciting to analyze.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

A variational approach to the study of capillary phenomena

The problem of determining the free surface of a liquid in a capillary tube, and of a liquid drop, sitting first on a horizontal plane and then on more general surfaces is considered. With some modifications, the method applies to the study of pendent drops and of rotating drops as well. The standard capillary problem, i.e. the determination of the free surface of a liquid in a thin tube of general cross section, which resuls from the simultaneous action of surface tension, boundary adhesion and gravity is discussed. It turns out that in this case the existence of the solution surface depends heavily on the validity of a simple geometric condition about the mean curvature of the boundary curve of the cross section of the capillary tube. Some particular examples of physical interest are also be discussed. Liquid drops sitting on or hanging from a fixed horizontal plane are discussed. The symmetry of the solutions (which can actually be proved, as consequence of a general symmetrization argument) now plays the chief role in deriving both the existence and the regularity of energy-minimizing configurations. When symmetry fails (this is the case, for example, when the contact angle between the drop and the plate is not constant, or when the supporting surface is not itself symmetric), then more sophisticated methods must be used. Extensions in this direction are outlined.

Emmer, M.↗