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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 19 records

Reproduction drives changes in space use and habitat selection in a highly adaptable invasive mammal

Abstract For ungulates, it is not well understood how the interaction between habitat and reproduction affects movement behavior, space use, and habitat selection. We used known parturition (farrowing) data to validate First Passage Time (FPT) movement analysis to identify wild pig (Sus scrofa) parturition events from data collected with GPS collars. We examined home range and habitat selection during three physiologically distinct time periods in the reproductive cycle: late-gestation; farrowing; and neonate-care period. Sows exhibited a behavioral change 1-2 days prior to farrowing, suggesting FPT analysis can reliably identify parturition events for wide-ranging species that have a focused birthing area. Home range was smallest during the farrowing period, likely reflective of nest building, parturition, and protection of neonates. Home range size during the neonate-care period was intermediate between the late-gestation and farrowing periods, indicative of offspring care that may restrict maternal movement. Across all periods, sows avoided developed areas that have sparse canopy and ground cover and are associated with human activities. During late-gestation, sows avoided pine forests that have an open understory and less vegetative cover. During late-gestation and neonate-care, sows selected bottomland hardwood forests, habitat associated with ample food, cover, and water. During farrowing and neonate-care periods, sows selected upland hardwood forests, habitat with high quality food and cover for neonates. The physiological requirements of reproduction drive female habitat selection and spatial scale of movement patterns associated with parturition. Our study contributes to delineation of the appropriate scale at which to analyze movement data to provide insight about where individuals chose to place their home range, how much space to use, and how they use resources on the landscape to maximize reproductive success and fitness.

Zoology↗

Reproductive Responses to Increased Shoot Density and Global Change Drivers in a Widespread Clonal Wetland Species, Schoenoplectus americanus

The expansion of many wetland species is a function of both clonal propagation and sexual reproduction. The production of ramets through clonal propagation enables plants to move and occupy space near parent ramets, while seeds produced by sexual reproduction enable species to disperse and colonize open or disturbed sites both near and far from parents. The balance between clonal propagation and sexual reproduction is known to vary with plant density but few studies have focused on reproductive allocation with density changes in response to global climate change. Schoenoplectus americanus is a widespread clonal wetland species in North America and a dominant species in Chesapeake Bay brackish tidal wetlands. Long-term experiments on responses of S. americanus to global change provided the opportunity to compare the two modes of propagation under different treatments. Seed production increased with increasing shoot density, supporting the hypothesis that factors causing increased clonal reproduction (e.g., higher shoot density) stimulate sexual reproduction and dispersal of genets. The increase in allocation to sexual reproduction was mainly the result of an increase in the number of ramets that flowered and not an increase in the number of seeds per reproductive shoot, or the ratio between the number of flowers produced per inflorescence and the number of flowers that developed into seeds. Seed production increased in response to increasing temperatures and decreased or did not change in response to increased CO2 or nitrogen. Results from this comparative study demonstrate that plant responses to global change treatments affect resource allocation and can alter the ability of species to produce seeds.

54 ENVIRONMENTAL SCIENCES↗

Male mating season range expansion results from an increase in scale of daily movements for a polygynous–promiscuous bird

Abstract Males of species with promiscuous mating systems are commonly observed to use larger ranges during the mating season relative to non‐mating seasons, which is often attributed to a change in movements related to reproductive activities. However, few studies link seasonal range sizes to variation in daily space use patterns to provide insight into the behavioral mechanisms underlying mating season range expansion. We studied 20 GPS‐tagged male wild turkeys ( Meleagris gallopavo ), a large upland gamebird, during the mating and summer non‐mating seasons to test the hypothesis that larger mating season ranges resulted from male wild turkeys expanding the scale of daily movement activities to locate and court females. We delineated mating and non‐mating seasons based on intensity of gobbling, a vocalization tied to courtship behavior, recorded by autonomous recording units distributed across the study area. Mating season ranges were significantly larger than non‐mating season ranges. Daily ranges were larger in the mating season, as were distances between roost sites used on consecutive nights. Variance in daily range size was greater in the mating season, but low temporal autocorrelation suggested considerable daily variability in both seasons. We found no evidence that male wild turkeys changed how they distributed daily movements within seasonal ranges, or differences in habitat use, suggesting larger mating season ranges result from male wild turkeys increasing the scale of their daily movements, rather than a systematic shift to a nomadic movement strategy. Likely, the distribution of females is more dynamic and ephemeral compared to other resources, prompting males to traverse larger daily ranges during the mating season to locate and court females. Our work illustrates the utility of using daily movement to understand the behavioral process underlying larger space use patterns.

59 BASIC BIOLOGICAL SCIENCES↗

Probing Exotic Cross-Shell Interactions at N = 28 with Single-Neutron Transfer on 47 K

Here, we present the first measurement of the 47 K ⁡(𝑑, 𝑝⁢𝛾)⁢ 48 K transfer reaction, performed in inverse kinematics using a reaccelerated beam of 47 K. The level scheme of 48 K has been greatly extended, with nine new bound excited states identified and spectroscopic factors deduced. Uniquely, the 47 K ⁡(𝑑, 𝑝) reaction gives access to nuclear states that are sensitive to the interaction of protons and neutrons in the widely spaced 1⁢𝑠 and 𝑓⁡𝑝 orbitals, respectively. Detailed comparisons with SDPF-U and SDPF-MU shell-model calculations reveal a number of discrepancies between theory and experiment. Intriguingly, a systematic overestimation of spectroscopic factors and a poor reproduction of the energies for 1 − states suggests that the mixing between the 𝜋⁢𝑠$^1_{1/2}$⁢𝑑$^4_{3/2}$ and 𝜋⁢𝑠$^2_{1/2}$⁢𝑑$^3_{3/2}$ proton configurations in 48 K is not correctly described using current interactions, challenging our description of light nuclei around the 𝑁 = 28 island of inversion.

Paxman, Charlie J. [Univ. of Surrey, Guildford (Un↗

Forest regeneration within Earth system models: current process representations and ways forward

Earth system models must predict forest responses to global change in order to simulate future global climate, hydrology, and ecosystem dynamics. These models are increasingly adopting vegetation demographic approaches that explicitly represent tree growth, mortality, and recruitment, enabling advances in the projection of forest vulnerability and resilience, as well as evaluation with field data. To date, simulation of regeneration processes has received far less attention than simulation of processes that affect growth and mortality, in spite of their critical role maintaining forest structure, facilitating turnover in forest composition over space and time, enabling recovery from disturbance, and regulating climate-driven range shifts. Here, our critical review of regeneration process representations within current Earth system vegetation demographic models reveals the need to improve parameter values and algorithms for reproductive allocation, dispersal, seed survival and germination, environmental filtering in the seedling layer, and tree regeneration strategies adapted to wind, fire, and anthropogenic disturbance regimes. These improvements require synthesis of existing data, specific field data-collection protocols, and novel model algorithms compatible with global-scale simulations. Vegetation demographic models offer the opportunity to more fully integrate ecological understanding into Earth system prediction; regeneration processes need to be a critical part of the effort.

54 ENVIRONMENTAL SCIENCES↗

Problem with gradual absorption in MSD/MSC calculations

Replacing classical exciton model with the better founded Multistep Direct (MSD) and Multistep Compound (MSC) mechanisms has been impeded by incapability of the latter models to describe central part of the neutron emission spectra at incident neutron energies of about 14 MeV and above. We have ascribed this deficiency to the decrease of absorption to the MSC mechanism resulting from the concept of gradual absorption. We were able to obtain very good reproduction of experimentally measured neutron spectra using MSD/MSC calculations when this option was turned off. Such treatment is, however, at odds with the fundamental distinction between MSD and MSC mechanisms that should proceed through the chain of open (P-space) and closed (Q-space) configurations respectively. By blocking gradual absorption we allow the first stage of MSC to be fully populated from the incident channel that at higher incident energies is impossible. We discuss various attempts of addressing the problem that, so far, remains open. In addition, we present an evidence for much tighter spin distribution of particle-hole states than normally assumed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Problem with gradual absorption in MSD/MSC calculations

Replacing classical exciton model with the better founded Multi-step Direct (MSD) and Multistep Compound (MSC) mechanisms has been impeded by incapability of the latter models to describe central part of the neutron emission spectra at incident neutron energies of about 14 MeV and above. We have ascribed this deficiency to the decrease of absorption to the MSC mechanism resulting from the concept of gradual absorption. We were able to obtain very good reproduction of experimentally measured neutron spectra using MSD/MSC calculations when this option was turned off. Such treatment is, however, at odds with the fundamental distinction between MSD and MSC mechanisms that should proceed through the chain of open (P-space) and closed (Q-space) configurations respectively. By blocking gradual absorption we allow the first stage of MSC to be fully populated from the incident channel that at higher incident energies is impossible. We discuss various attempts of addressing the problem that, so far, remains open. In addition, we present an evidence for much tighter spin distribution of particle-hole states than normally assumed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electron-beam energy reconstruction for neutrino oscillation measurements

Neutrinos exist in one of three types or ‘flavours’—electron, muon and tau neutrinos—and oscillate from one flavour to another when propagating through space. This phenomena is one of the few that cannot be described using the standard model of particle physics (reviewed in ref. 1), and so its experimental study can provide new insight into the nature of our Universe (reviewed in ref. 2). Neutrinos oscillate as a function of their propagation distance (L) divided by their energy (E). Therefore, experiments extract oscillation parameters by measuring their energy distribution at different locations. As accelerator-based oscillation experiments cannot directly measure E, the interpretation of these experiments relies heavily on phenomenological models of neutrino–nucleus interactions to infer E. Here we exploit the similarity of electron–nucleus and neutrino–nucleus interactions, and use electron scattering data with known beam energies to test energy reconstruction methods and interaction models. We find that even in simple interactions where no pions are detected, only a small fraction of events reconstruct to the correct incident energy. More importantly, widely used interaction models reproduce the reconstructed energy distribution only qualitatively and the quality of the reproduction varies strongly with beam energy. This shows both the need and the pathway to improve current models to meet the requirements of next-generation, high-precision experiments such as Hyper-Kamiokande (Japan) and DUNE (USA).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Influence of weather on gobbling activity of male wild turkeys

Gobbling activity of Eastern wild turkeys (Meleagris gallopavo silvestris; hereafter, turkeys) has been widely studied, focusing on drivers of daily variation. Weather variables are widely believed to influence gobbling activity, but results across studies are contradictory and often equivocal, leading to uncertainty in the relative contribution of weather variables to daily fluctuations in gobbling activity. Previous works relied on road-based auditory surveys to collect gobbling data, which limits data consistency, duration, and quantity due to logistical difficulties associated with human observers and restricted sampling frames. Development of new methods using autonomous recording units (ARUs) allows researchers to collect continuous data in more locations for longer periods of time, providing the opportunity to delve into factors influencing daily gobbling activity. We used ARUs from 1 March to 31 May to detail gobbling activity across multiple study sites in the southeastern United States during 2014–2018. We used state-space modeling to investigate the effects of weather variables on daily gobbling activity. Our findings suggest rainfall, greater wind speeds, and greater temperatures negatively affected gobbling activity, whereas increasing barometric pressure positively affected gobbling activity. Therefore, when using daily gobbling activity to make inferences relative to gobbling chronology, reproductive phenology, and hunting season frameworks, stakeholders should recognize and consider the potential influences of extended periods of inclement weather.

60 APPLIED LIFE SCIENCES↗

Non-DNA radiosensitive targets that initiate persistent behavioral deficits in rats exposed to space radiation

Predicting future CNS risks for astronauts during deep-space missions will rely substantially on ground-based rodent data with space-relevant ions and behaviors. For rats, the accumulated evidence indicates that less densely ionizing radiation, such as 4 He and 12 C ions, induce behavior deficits at lower doses than densely ionizing ions, such as 48 Ti and 56 Fe. However, this observation conflicts with standard somatic radiobiology, in which densely ionizing ions are generally more effective than less densely ionizing ions, and where the DNA/nucleus is the accepted target for radiation-induced tumorigenesis, cytogenetic aberrations, genetic mutations, and reproductive cell death. To gain deeper insight into the subcellular nature of the radiation targets for behavior risks, we compared the effects of dose, fluence, and linear energy transfer (LET) of 4 He and 56 Fe particles using existing datasets for four distinct behavioral outcomes in rats: elevated plus maze (EPM-anxiety), novel object recognition (NOR-memory), operant responding (OR-response to environmental stimuli), and attentional set-shifting (ATSET-cognitive flexibility). We confirmed that less densely ionizing particles (except protons) showed ~100-fold lower threshold doses than densely ionizing particles for behavioral deficits (0.1–1 cGy for 4 He vs. 15–100 cGy for 56 Fe). However, when analyzed by fluence the behavioral responses converged, indicating that 4 He and 56 Fe were equally effective on a per-track basis. When analyzed by LET, there were ~100-fold differences in the LET for maximum effectiveness for behavioral deficits and DNA endpoints (~1 vs ~100 keV/μm, respectively). These unique features of radiation-induced behavioral deficits (high sensitivity to particles in the 1-keV/μm range, insensitivity to protons in the 0.2 keV/μm range, and isofluence dependence for particles with LET>1 keV/μm) provide evidence in support of a new hypothesis of sub-micron sized radiosensitive targets for behavioral effects consistent with the thickness of plasma membranes and/or small subcellular structures, smaller than a whole synapse. Like our behavior findings, mouse immature oocyte killing which is known to have a plasma membrane target was also better explained by fluence, rather than dose. In contrast, fluence analyses for DNA/nuclear endpoints in somatic cells (e.g., tumor induction, chromosome aberrations) showed opposite results, suggesting that behavior targets are not DNA. Our findings raise questions regarding the identity of subcellular targets and the multi-cellular functional unit for behavior risks, low-dose susceptibility, and generalizability from rat to other species and astronauts.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

The role of geographical spreaders in infectious pattern formation and front propagation speeds

The pattern formation and spatial spread of infectious populations are investigated using a kernel-based Susceptible–Infectious–Recovered (SIR) model applicable across a wide range of basic reproduction numbers R O . The goal is to examine the role of geographical spreaders on transient spatial pattern formation of infectious populations and the associated maximum invasive front speeds c max . In the simulations conducted here, geographical spreaders are defined as a portion of the infected population Φ experiencing high mobility between identical communities. The spatial organization of the infected population and c max are determined when the infections are randomly initiated in space within multiple communities. For small but finite , scaling analysis and numerical simulations in 1-dimension suggest that when the spreading kernel is Gaussian-shaped, where is the inverse of the infectious duration. This finding for agrees with a diffusion-based representation of mobility in 1-D. Numerical simulations in 2-D across wide-ranging suggest that , the variance of the spatial kernel describing mobility of long-distance geographical spreaders across communities, determines the spatial organization of infections across communities. When (long-distance mobility, where is the minimum spatial extent defining adjacent communities), the infectious population will experience a transient but spatially coherent pattern with a wavelength that can be derived from the spreading kernel properties. Moreover, the 2-D simulations for the bounded kernel suggest that attainment of is also dictated by but the magnitude is not sensitive to unlike diffusion-based models.

60 APPLIED LIFE SCIENCES↗

Selecting Appropriate Model Complexity: An Example of Tracer Inversion for Thermal Prediction in Enhanced Geothermal Systems

Abstract A major challenge in the inversion of subsurface parameters is the ill‐posedness issue caused by the inherent subsurface complexities and the generally spatially sparse data. Appropriate simplifications of inversion models are thus necessary to make the inversion process tractable and meanwhile preserve the predictive ability of the inversion results. In this study, we investigate the effect of model complexity on fracture aperture inversion and thermal performance prediction in a field‐scale EGS model. Principal component analysis was used to map the aperture field to a low‐dimensional latent space. The complexity of the inversion model was quantitatively represented by the percentage of total variance in the original aperture fields preserved by the latent space. Tracer, pressure and flow rate data were used to invert for fracture aperture through an ensemble‐based inversion method, and the inferred aperture field was used to predict thermal performance. With an over‐simplified aperture model, ensemble collapse occurred. The inverted aperture models failed to resolve necessary flow and transport features, leading to a biased thermal performance prediction. A complex aperture model involved excessive features and was prone to overinterpreting the inversion data. Both the tracer/pressure/flow rate data reproduction and thermal prediction showed significant uncertainties, making it difficult to properly estimate long‐term thermal performance. Fortunately, our results indicate that there exists an appropriate model complexity which can simultaneously match inversion data and predict thermal performance with an acceptable uncertainty. The quality of the fit of tracer data appears to be a useful indicator of such an appropriate model complexity.

15 GEOTHERMAL ENERGY↗

Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions

A key goal of molecular modeling is the accurate reproduction of the true quantum mechanical potential energy of arbitrary molecular ensembles with a tractable classical approximation. The challenges are that analytical expressions found in general purpose force fields struggle to faithfully represent the intermolecular quantum potential energy surface at close distances and in strong interaction regimes; that the more accurate neural network approximations do not capture crucial physics concepts, e.g., nonadditive inductive contributions and application of electric fields; and that the ultra-accurate narrowly targeted models have difficulty generalizing to the entire chemical space. We therefore designed a hybrid wide-coverage intermolecular interaction model consisting of an analytically polarizable force field combined with a short-range neural network correction for the total intermolecular interaction energy. Here, we describe the methodology and apply the model to accurately determine the properties of water, the free energy of solvation of neutral and charged molecules, and the binding free energy of ligands to proteins. The correction is subtyped for distinct chemical species to match the underlying force field, to segment and reduce the amount of quantum training data, and to increase accuracy and computational speed. For the systems considered, the hybrid ab initio parametrized Hamiltonian reproduces the two-body dimer quantum mechanics (QM) energies to within 0.03 kcal/mol and the nonadditive many-molecule contributions to within 2%. Simulations of molecular systems using this interaction model run at speeds of several nanoseconds per day.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Avoided Level Crossing and Entangled States of Interacting Hydrogen Molecules Detected by the Quantum Superposition Microscope

Pump–probe measurements by ultrashort THz pulses can be used to excite and follow the coherence dynamics in the time domain of single hydrogen molecules (H 2 ) in the junction of a scanning tunneling microscope (STM). By tailoring the resonance frequency through the sample bias, we identified two spectral signatures of the interactions among multiple H 2 molecules. First, the avoided level crossing featured by energy gaps ranging from 20 to 80 GHz was observed because of the level repulsion between two H 2 molecules. Second, the tip can sense the signal of H 2 outside the junction through the projective measurement on the H 2 inside the junction, owing to the entangled states created through the interactions. A dipolar-type interaction was integrated into the tunneling two-level system model of H 2 , enabling accurate reproduction of the observed behaviors. Furthermore, our results obtained by the quantum superposition microscope reveal the intricate quantum mechanical interplay among H 2 molecules and additionally provide a 2D platform to investigate unresolved questions of amorphous materials.

36 MATERIALS SCIENCE↗

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials

There is a growing need in the simulation community for software that provides a transparent, reproducible, usable, and extensible (TRUE) Monte Carlo (MC) simulation framework employing energies from ab initio methods and machine-learning interatomic potentials (MLIPs). We introduce a Python library (ASE-MC) that adds Monte Carlo functionality to the Atomic Simulation Environment (ASE) package. Now, we can combine the powerful tools used to build systems and perform ab initio and MLIP in ASE with MC simulation algorithms to sample the configurational space with a concise Python script. After presenting the design philosophy, we demonstrate the flexibility of our approach using selected examples. These example simulations include liquid water described with a message-passing MLIP in the canonical and isothermal–isobaric ensembles, sampling the characteristic dihedral angle of biphenyl and comparing an MLIP to first-principles calculations, and a grand canonical Monte Carlo simulation of ammonia adsorption on Pt(111). These examples showcase the main features of the software, which include flexibility in the choice of ab initio or MLIP engine, ab initio or MLIP grand canonical MC with cavity bias insertions and deletions, the ability to add custom MC moves to the move set, and how users can condense complex MC workflows into a single Python script. Finally, this library serves as a framework for reproducible Monte Carlo simulations, facilitating easy reproduction of the work and application to new systems.

97 MATHEMATICS AND COMPUTING↗

A system identification approach for non-intrusive reduced order modeling of radiation-induced photocurrents

In this study, development of compact photocurrent models is currently dominated by analytical techniques that rely on physical assumptions to render the governing equations solvable in a closed form. Violation of these assumptions can reduce the accuracy of the models and/or limit their scope. In this paper we show that system identification of nonlinear state-space systems can serve as an alternative numerical basis for non-intrusive reduced order modeling of photocurrent effects. To that end we develop a compact gray box photocurrent model (GBPM) by using a state-space representation with a low-dimensional latent state equation that mimics a mathematical model for the response of an idealized class of devices to ionizing radiation. In so doing we obtain a model that learns the dynamics of a quantity of interest directly from its measurements without requiring snapshots of the internal device state or its discretized model, and can be inferred from very small data sets. To demonstrate the approach we train the GBPM using a small experimental data set for a Z5236 Zener diode and a small synthetic data set obtained by simulating a synthetic pn-junction device. We then compare the GBPMs with black box models trained on the same data and show that performance of the latter is limited by the size of the data set, while the former are able to achieve excellent performance in both the reproductive and the predictive regimes.

97 MATHEMATICS AND COMPUTING↗

CubeSat constellations provide enhanced crop phenology and digital agricultural insights using daily leaf area index retrievals

Satellite remote sensing has great potential to deliver on the promise of a data-driven agricultural revolution, with emerging space-based platforms providing spatiotemporal insights into precision-level attributes such as crop water use, vegetation health and condition and crop response to management practices. Using a harmonized collection of high-resolution Planet CubeSat, Sentinel-2, Landsat-8 and additional coarser resolution imagery from MODIS and VIIRS, we exploit a multi-satellite data fusion and machine learning approach to deliver a radiometrically calibrated and gap-filled time-series of daily leaf area index (LAI) at an unprecedented spatial resolution of 3 m. The insights available from such high-resolution CubeSat-based LAI data are demonstrated through tracking the growth cycle of a maize crop and identifying observable within-field spatial and temporal variations across key phenological stages. Daily LAI retrievals peaked at the tasseling stage, demonstrating their value for fertilizer and irrigation scheduling. An evaluation of satellite-based retrievals against field-measured LAI data collected from both rain-fed and irrigated fields shows high correlation and captures the spatiotemporal development of intra- and inter-field variations. Novel agricultural insights related to individual vegetative and reproductive growth stages were obtained, showcasing the capacity for new high-resolution CubeSat platforms to deliver actionable intelligence for precision agricultural and related applications.

54 ENVIRONMENTAL SCIENCES↗

Proximal Galerkin: A Structure-Preserving Finite Element Method for Pointwise Bound Constraints

The proximal Galerkin finite element method is a high-order, low iteration complexity, nonlinear numerical method that preserves the geometric and algebraic structure of pointwise bound constraints in infinite-dimensional function spaces. This paper introduces the proximal Galerkin method and applies it to solve free boundary problems, enforce discrete maximum principles, and develop a scalable, mesh-independent algorithm for optimal design with pointwise bound constraints. This paper also introduces the latent variable proximal point (LVPP) algorithm, from which the proximal Galerkin method derives. When analyzing the classical obstacle problem, we discover that the underlying variational inequality can be replaced by a sequence of second-order partial differential equations (PDEs) that are readily discretized and solved with, e.g., the proximal Galerkin method. Throughout this work, we arrive at several contributions that may be of independent interest. These include (1) a semilinear PDE we refer to as the entropic Poisson equation; (2) an algebraic/geometric connection between high-order positivity-preserving discretizations and certain infinite-dimensional Lie groups; and (3) a gradient-based, bound-preserving algorithm for two-field, density-based topology optimization. The complete proximal Galerkin methodology combines ideas from nonlinear programming, functional analysis, tropical algebra, and differential geometry and can potentially lead to new synergies among these areas as well as within variational and numerical analysis. Open-source implementations of our methods accompany this work to facilitate reproduction and broader adoption.

97 MATHEMATICS AND COMPUTING↗