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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Code Disentanglement: Initial Plan

The first step to making more ambitious changes in the EAP code base is to disentangle the code into a set of independent, levelized packages. We define a package as a collection of code, most often across a set of files, that provides a defined set of functionality; a package a) can be built and tested as an entity and b) fits within an overall levelization design. Each package contributes one or more libraries, or an application that uses the other libraries. A package set is levelized if the relationships between packages form a directed, acyclic graph and each package uses only packages at lower levels of the diagram (in Fortran this relationship is often describable by the use relationship between modules). Independent packages permit independent- and therefore parallel|development. The packages form separable units for the purposes of development and testing. This is a proven path for enabling finer-grained changes to a complex code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Deep learning techniques to disentangle water use efficiency, climate change, and carbon sequestration across ecosystem scales

Focal Areas: We plan to use machine learning (ML) to disentangle the impact of climate change on plant water use efficiency (WUE) across the leaf level, structured canopy, and community ecosystem scales. Due to the complex behavior of modeling plant WUE’s connection to carbon storage (and hidden co-varying interactions) we suggest that physics-based deep learning must be utilized. The second topic we propose is, based on a better understanding of WUE response to climate change, there is a need to predict how WUE will limit or enhance the recycling of water from transpiration by vegetation back to the land surface worldwide, and thus impact water storage capacity (i.e., natural and reservoirs), using machine learning optimization techniques such as genetic algorithms.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Imaging Wavepackets in Real-Space & Disentangling Ultrafast Solvation Dynamics with High-Energy Ultrafast X-ray Scattering

The microscopic information of solute and solute-solvent motions can be measured using ultrafast diffuse x-ray scattering, and compared to molecular dynamics simulations, as demonstrated in studies of solvated molecular systems done in X-ray free-electron lasers. However, for the typical photon energies used in these experiments, the photon momentum transfer range was limited to lower Q values where the signals arising from different parts of the studied system overlap significantly. Recently, this limitation was greatly alleviated by extending the photon energy at the Linac Coherent Light-Source (LCLS), significantly increasing the accessible momentum transfer range. This improvement is transformative for ultrafast diffuse x-ray scattering measurements, enabling for the first time to disentangle the solute scattering difference signal, that persists to higher Q values, from the bulk solvent and solute-solvent cross-terms difference signals. In addition, it enhances the prediction ability of modeling and simulation methods such as the hybrid QM/MM approach. The extended Q range also opens the way to resolve in real-space details regarding coherent wavepackets motions beyond their center-of-mass positions. Here, we present the first results on high-energy (18keV) diffuse x-ray scattering in solution, demonstrating high fidelity time-resolved scattering and analysis of the photoexcited model photocatalysts PtPOP ([Pt2(POP)4]4-), and IrDimen ([Ir2(dimen)4]2+) in several solvents. These complexes provide ideal systems for demonstrating the ability of high-Q ultrafast scattering and QM/MM simulations to decompose ultrafast solvation dynamics into specific changes in the solute-solvent pair distribution function with a particular focus on how electronically excited states change the interaction between the solvent and photo-catalytically active metal sites. We introduce an approach to further utilize the high-energy capability and demonstrate a single-shot ultra-wide-angle X-ray Scattering modality using two perpendicular detectors, spanning a scattering angle range of more than 100 degrees, allowing to extend the accessible momentum transfer range up to Q~14 Å-1. We develop a model-free method to invert the x-ray scattering signals and enable the recovery of multiple pair-density motions that happen simultaneously, allowing us to directly measure in real-space nuclear wavepacket motions. . [1] Natan, Adi. "Real-Space Inversion and Super-Resolution of Ultrafast X-ray Scattering using Natural Scattering Kernels." arXiv preprint arXiv:2107.05576 (2021)

Natan, Adi↗
DOE OSTI2025

DOE Early Career Project Annual Report: Disentangling the factors controlling the emission of bioparticles that act as ice nucleating particles

This report describes the accomplishments, progress, and obstacles encountered during the first project year of the U.S. Department of Energy Biological and Environmental Research program Early Career project, “Disentangling the factors controlling the emission of bioparticles that act as ice nucleating particles.”

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Leveraging Machine Learning and Geo-Tagged Citizen Science Data to Disentangle the Factors of Avian Mortality Events at the Species Level

Abrupt environmental changes can affect the population structures of living species and cause habitat loss and fragmentations in the ecosystem. During August–October 2020, remarkably high mortality events of avian species were reported across the western and central United States, likely resulting from winter storms and wildfires. However, the differences of mortality events among various species responding to the abrupt environmental changes remain poorly understood. In this study, we focused on three species, Wilson’s Warbler, Barn Owl, and Common Murre, with the highest mortality events that had been recorded by citizen scientists. We leveraged the citizen science data and multiple remotely sensed earth observations and employed the ensemble random forest models to disentangle the species responses to winter storm and wildfire. We found that the mortality events of Wilson’s Warbler were primarily impacted by early winter storms, with more deaths identified in areas with a higher average daily snow cover. The Barn Owl’s mortalities were more identified in places with severe wildfire-induced air pollution. Both winter storms and wildfire had relatively mild effects on the mortality of Common Murre, which might be more related to anomalously warm water. Our findings highlight the species-specific responses to environmental changes, which can provide significant insights into the resilience of ecosystems to environmental change and avian conservations. Additionally, the study emphasized the efficiency and effectiveness of monitoring large-scale abrupt environmental changes and conservation using remotely sensed and citizen science data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

DISENTANGLING THE ICL WITH THE CHEFs: ABELL 2744 AS A CASE STUDY

Measurements of the intracluster light (ICL) are still prone to methodological ambiguities, and there are multiple techniques in the literature to address them, mostly based on the binding energy, the local density distribution, or the surface brightness. A common issue with these methods is the a priori assumption of a number of hypotheses on either the ICL morphology, its surface brightness level, or some properties of the brightest cluster galaxy (BCG). The discrepancy in the results is high, and numerical simulations just place a boundary on the ICL fraction in present-day galaxy clusters in the range 10%–50%. We developed a new algorithm based on the Chebyshev–Fourier functions to estimate the ICL fraction without relying on any a priori assumption about the physical or geometrical characteristics of the ICL. We are able to not only disentangle the ICL from the galactic luminosity but mark out the limits of the BCG from the ICL in a natural way. We test our technique with the recently released data of the cluster Abell 2744, observed by the Frontier Fields program. The complexity of this multiple merging cluster system and the formidable depth of these images make it a challenging test case to prove the efficiency of our algorithm. We found a final ICL fraction of 19.17 ± 2.87%, which is very consistent with numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Disentangling the Planet from the Star in Late-Type M Dwarfs: A Case Study of TRAPPIST-1g

The atmospheres of late M stars represent a significant challenge in the characterization of any transiting exoplanets because of the presence of strong molecular features in the stellar atmosphere. TRAPPIST-1 is an ultracool dwarf, host to seven transiting planets, and contains its own molecular signatures that can potentially be imprinted on planetary transit lightcurves as a result of inhomogeneities in the occulted stellar photosphere. We present a case study on TRAPPIST-1g, the largest planet in the system, using a new observation together with previous data, to disentangle the atmospheric transmission of the planet from that of the star. We use the out-of-transit stellar spectra to reconstruct the stellar flux on the basis of one, two, and three temperature components. We find that TRAPPIST-1 is a 0.08 M {sub *}, 0.117 R {sub *}, M8V star with a photospheric effective temperature of 2400 K, with ∼35% 3000 K spot coverage and a very small fraction, <3%, of ∼5800 K hot spot. We calculate a planetary radius for TRAPPIST-1g to be R {sub p} = 1.124 R {sub ⊕}with a planetary density of ρ {sub p} = 0.8214 ρ {sub ⊕}. On the basis of the stellar reconstruction, there are 11 plausible scenarios for the combined stellar photosphere and planet transit geometry; in our analysis, we are able to rule out eight of the 11 scenarios. Using planetary models, we evaluate the remaining scenarios with respect to the transmission spectrum of TRAPPIST-1g. We conclude that the planetary transmission spectrum is likely not contaminated by any stellar spectral features and are able to rule out a clear solar H{sub 2}/He-dominated atmosphere at greater than 3σ.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Disentangling Time-series Spectra with Gaussian Processes: Applications to Radial Velocity Analysis

Measurements of radial velocity variations from the spectroscopic monitoring of stars and their companions are essential for a broad swath of astrophysics; these measurements provide access to the fundamental physical properties that dictate all phases of stellar evolution and facilitate the quantitative study of planetary systems. The conversion of those measurements into both constraints on the orbital architecture and individual component spectra can be a serious challenge, however, especially for extreme flux ratio systems and observations with relatively low sensitivity. Gaussian processes define sampling distributions of flexible, continuous functions that are well-motivated for modeling stellar spectra, enabling proficient searches for companion lines in time-series spectra. We introduce a new technique for spectral disentangling, where the posterior distributions of the orbital parameters and intrinsic, rest-frame stellar spectra are explored simultaneously without needing to invoke cross-correlation templates. To demonstrate its potential, this technique is deployed on red-optical time-series spectra of the mid-M-dwarf binary LP661-13. We report orbital parameters with improved precision compared to traditional radial velocity analysis and successfully reconstruct the primary and secondary spectra. We discuss potential applications for other stellar and exoplanet radial velocity techniques and extensions to time-variable spectra. The code used in this analysis is freely available as an open-source Python package.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Unsupervised physics-informed disentanglement of multimodal data

Here, we introduce physics-informed multimodal autoencoders (PIMA) - a variational inference framework for discovering shared information in multimodal datasets. Individual modalities are embedded into a shared latent space and fused through a product-of-experts formulation, enabling a Gaussian mixture prior to identify shared features. Sampling from clusters allows cross-modal generative modeling, with a mixture-of-experts decoder that imposes inductive biases from prior scientific knowledge and thereby imparts structured disentanglement of the latent space. This approach enables cross-modal inference and the discovery of features in high-dimensional heterogeneous datasets. Consequently, this approach provides a means to discover fingerprints in multimodal scientific datasets and to avoid traditional bottlenecks related to high-fidelity measurement and characterization of scientific datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗
DOE OSTI2024

Disentangling the hydrological and hydraulic controls on streamflow variability in Energy Exascale Earth System Model (E3SM) V2 – a case study in the Pantanal region

Abstract. Streamflow variability plays a crucial role in shaping the dynamics and sustainability of Earth's ecosystems, which can be simulated and projected by a river routing model coupled with a land surface model. However, the simulation of streamflow at large scales is subject to considerable uncertainties, primarily arising from two related processes: runoff generation (hydrological process) and river routing (hydraulic process). While both processes have impacts on streamflow variability, previous studies only calibrated one of the two processes to reduce biases in the simulated streamflow. Calibration focusing only on one process can result in unrealistic parameter values to compensate for the bias resulting from the other process; thus other water-related variables remain poorly simulated. In this study, we performed several experiments with the land and river components of the Energy Exascale Earth System Model (E3SM) over the Pantanal region to disentangle the hydrological and hydraulic controls on streamflow variability in coupled land–river simulations. Our results show that the generation of subsurface runoff is the most important factor for streamflow variability contributed by the runoff generation process, while floodplain storage effect and main-channel roughness have significant impacts on streamflow variability through the river routing process. We further propose a two-step procedure to robustly calibrate the two processes together. The impacts of runoff generation and river routing on streamflow are appropriately addressed with the two-step calibration, which may be adopted by developers of land surface and earth system models to improve the modeling of streamflow.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Disentangling the Origin and Heating Mechanism of Supernova Dust: Late-Time Spitzer Spectroscopy of the Type IIn SN 2005ip

This paper presents late-time near-infrared and Spitzer mid-infrared photometric and spectroscopic observations of warm dust in the Type IIn SN 2005ip in NGC 2906. The spectra show evidence for two dust components with different temperatures. Spanning the peak of the thermal emission, these observations provide strong constraints on the dust mass, temperature, and luminosity, which serve as critical diagnostics for disentangling the origin and heating mechanism of each component. The results suggest the warmer dust has a mass of approx. 5 x 10(exp -4) Solar Mass and originates from newly formed dust in the ejecta, continuously heated by the circumstellar interaction. By contrast, the cooler component likely originates from a circumstellar shock echo that forms from the heating of a large, pre-existing dust shell approx. 0.01 - 0.05 Solar Mass by the late-time circumstellar interaction. The progenitor wind velocity derived from the blue edge of the He I 1.083 micro P Cygni profile indicates a progenitor eruption likely formed this dust shell approx.100 years prior to the supernova explosion, which is consistent with a Luminous Blue Variable (LBV) progenitor star. Subject

Fox, Ori D.↗
NASA NTRS2019

Disentangling Planets from Photoelectric Instability in Gas-rich Optically Thin Dusty Disks

Structures in circumstellar disks such as gaps and rings are often attributed to planets. This connection has been difficult to show unequivocally, as other processes may also produce these features. In particular, a photoelectric instability (PEI) has been proposed, operating in gas-rich optically thin disks, that generates structures predicted by planet–disk interactions. We examine the question of how to disentangle the planetary effects on disk structure from the effects of the PEI. We use the Pencil Code to perform 2D global hydrodynamical models of the dynamics of gas and dust in a thin disk with and without planetary perturbers. Photoelectric heating is modeled with an equation of state where pressure is proportional to dust surface density. The drag force on grains and its backreaction on the gas are included. Analyzing the situation without PEI, we find that gas–dust interactions alter the shape of the planetary gap from the dust-free case when the local dust-to-gas ratio ε approaches unity. This result also applies to primordial disks, because dust drifting inward accumulates at the edge of the planetary gap, and any initial dust-to-gas ratio eventually achieves ε = 1 if the dust reservoir is sufficient. We find a result particular to high dust-to-gas ratio disks as well: as dust drifts inward, the dust front becomes a sharp transition, and the backreaction triggers the Rossby wave instability. When PEI is included, we find that it obscures structures induced by planets unless the planet's mass is sufficiently large to carve a noticeable gap. Specifically, the instability generates arcs and rings of regular spacing: a planet is discernible when it carves a dust gap wider than the wavelength of the PEI.

Areli Castrejon↗
NASA NTRS2024

Disentangling the Entangled Linkages of Magnetic Helicity

Magnetic helicity, H, measures magnetic linkages in a volume. The early theoretical development of helicity focused on magnetically closed systems in V bounded by ∂V. For magnetically closed systems, V ∈ R -3 = V + V∗, no magnetic flux threads the boundary, n̂ · B|∂V = 0. Berger & Field (1984) and Finn & Antonsen (1985) extended the definition of helicity to relative helicity, H, for magnetically open systems where magnetic flux may thread the boundary. Berger (1999, 2003) expressed this relative helicity as two gauge invariant terms that describe the self helicity of magnetic field that closes inside V and the mutual helicity between the magnetic field that threads the boundary ∂V and the magnetic field that closes inside V. The total magnetic field that permeates V entangles magnetic fields that are produced by current sources J in V with magnetic fields that are produced by current sources J∗ in V∗. Building on this fact, we extend Berger’s expressions for relative magnetic helicity to eight gauge invariant quantities that simultaneously characterize both of these self and mutual helicities and attribute their origins to currents J in V and/or J∗ in V∗, thereby disentangling the domain of origin for these entangled linkages. We arrange these eight terms into novel expressions for internal and external helicity (self) and internal-external helicity (mutual) based on their domain of origin. The implications of these linkages for interpreting magnetic energy is discussed and new boundary observables are proposed for tracking the evolution of the field that threads the boundary.

Analytical mathematics↗
DOE OSTI2023

Disentangling the evolution of electrons and holes in photoexcited ZnO nanoparticles

The evolution of charge carriers in photoexcited room temperature ZnO nanoparticles in solution is investigated using ultrafast ultraviolet photoluminescence spectroscopy, ultrafast Zn K-edge absorption spectroscopy, and ab initio molecular dynamics (MD) simulations. The photoluminescence is excited at 4.66 eV, well above the band edge, and shows that electron cooling in the conduction band and exciton formation occur in <500 fs, in excellent agreement with theoretical predictions. The x-ray absorption measurements, obtained upon excitation close to the band edge at 3.49 eV, are sensitive to the migration and trapping of holes. They reveal that the 2 ps transient largely reproduces the previously reported transient obtained at 100 ps time delay in synchrotron studies. In addition, the x-ray absorption signal is found to rise in ∼1.4 ps, which we attribute to the diffusion of holes through the lattice prior to their trapping at singly charged oxygen vacancies. Indeed, the MD simulations show that impulsive trapping of holes induces an ultrafast expansion of the cage of Zn atoms in <200 fs, followed by an oscillatory response at a frequency of ∼100 cm−1, which corresponds to a phonon mode of the system involving the Zn sub-lattice.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Disentangling Memristive and Memcapacitive Effects in Droplet Interface Bilayers Using Dynamic Impedance Spectroscopy

The underlying principles for generating intelligent behavior in living organisms are fundamentally different from those in traditional solid-state circuits. Biomimetic neuromorphic equivalents based on biological membranes offer novel implementation of tunable plasticity and diverse mechanisms to control functionality. Here, dynamic electrochemical impedance spectroscopy (dEIS) to probe diphytanoylphosphatidylcholine (DPhPC) droplet interface bilayers (DIBs) to better understand the differences in molecular level structure/dynamics that give rise to hysteretic loops and neuromorphic, memelement behaviors in lipid bilayers in response to electrical biasing is used. Importantly, this system does not have ion-conducting channels and is, therefore, not expected to show memristive behavior. Surprisingly, both memristive and memcapacitive behaviors by measuring the time-dependent complex impedance of DPhPC DIBs are detected. Furthermore, it is shown that nonlinear memristance can originate from structural changes in the bilayer, affecting its dielectric properties. This novel dEIS application allows for the simultaneous analysis of the system's changing memristive and memcapacitive properties, which originate from different molecular restructuring processes. Moreover, and importantly, access to this type of information increases the number of neuromorphic processes supported simultaneously in a single two-terminal device.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Two Arctic Wintertime Boundary Layer States: Disentangling the Role of Cloud and Wind Regimes in Reanalysis and Observations During MOSAiC

The wintertime central Arctic atmosphere comprises a radiatively clear and a radiatively opaque state, which are linked to synoptic forcing and mixed-phase clouds. Weather and climate models often lack process representations surrounding these states, but prior work mostly treated the problem as an aggregate of synoptic conditions, resulting in partially overlapping biases. Here, we disaggregate the Arctic states and confront ERA5 reanalysis with observations from the MOSAiC campaign over the central Arctic sea ice during winter 2019/2020. Low-level winds and liquid water path (LWP) are combined to derive different synoptic classes. Results show that the clear state is primarily formed by weak/moderate winds and the absence of liquid-bearing clouds, while strong winds and enhanced LWP primarily form the radiatively opaque state. ERA5 struggles to reproduce these basic statistics, shows too weak sensitivity of thermal radiation to synoptic forcing, and overestimates thermal radiation for similar LWP amounts. The latter is caused by a warm bias, which has a pronounced inversion structure and is largest in clear and calm conditions. Under strong synoptic forcing, the warm bias is constant with height and discrepancies in mixed-phase cloud altitude appear. Separating synoptic conditions is regarded as useful for process-oriented evaluation of the Arctic troposphere in models.

54 ENVIRONMENTAL SCIENCES↗