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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Scaling dynamics in low-salt-rejection reverse osmosis for high-salinity produced water desalination: Mechanistic modeling and membrane autopsy

Membrane scaling remains a critical barrier to the reliable operation of desalination systems, particularly for hypersaline produced water (PW) treatment. This study fills the knowledge gap of autopsy-based model validation for PW desalination by elucidating scaling mechanisms in a Low-Salt-Rejection Reverse Osmosis (LSRRO) system through the integration of pilot-scale experimentation and complementary modeling approaches. A semi-empirical modeling framework was developed and applied to a multistage pilot LSRRO system equipped with nanofiltration and RO membranes treating high-salinity PW from the Permian Basin. Water quality analysis showed that total dissolved solids decreased from ~130,000 mg/L to ~1900 mg/L in the permeate, then further reduced to ~300 mg/L by a second-pass RO. Two different thermodynamic modeling approaches were evaluated: the first extends the LSRRO framework by incorporating system complexity and scaling phenomena, whereas the second method explicitly captures concentration polarization in localized supersaturation. Both methods illustrate the tendency for carbonate and sulfate scaling throughout the stages. Membrane autopsies revealed a silica-dominated deposit matrix, localized CaSO 4 at Stage 2, and minor barite/celestite despite their prominence in model predictions. Quantum-chemical calculations indicated silica scaling can be rationalized by favorable adsorption of H 4 SiO 4 on Fe-oxide surfaces (ΔG ≈ −44 kJ/mol), providing a kinetic pathway for interfacial inorganic polymerization even when bulk equilibrium predictions are conservative. Overall, the thermodynamic scaling modeling and membrane autopsy revealed heterogeneous, localized deposits with limited impact on LSRRO performance, while quantum analysis rationalized the thermodynamically unfavorable precipitation formation under bulk equilibrium, reconciling model–autopsy discrepancies. These insights support targeted pretreatment and silica-specific antiscalants to extend membrane lifetime and increase recovery, providing a transferable framework for hypersaline water desalination systems. The combined experimental–computational approach provides new mechanistic insight into scaling in hypersaline membrane systems and establishes a transferable framework for predicting and mitigating scaling in next-generation desalination technologies.

Low-salt-rejection reverse osmosis↗
NASA NTRS1989

Interactions among radiation, convection, and large-scale dynamics in a general circulation model

The effects of radiatively active clouds on the climate simulated by a GCM are studied, focusing on the effects of upper tropospheric stratiform clouds associated with deep cumulus convection and the interactions of these clouds with convection and the large-scale circulation. The isolated effects of atmospheric cloud radiative forcing are analyzed using a model climate of an ocean-covered earth. It is found that the upper tropospheric cloudiness associated with cumulus convection has a powerful influence on both the convection and the large-scale circulation. Consideration is given to the importance of developing a GCM which includes a direct representation of the radiative, thermodynamical, and dynamical couplings between the convection parameterization and the large-scale saturation parameterization.

Randall, David A.↗
DOE OSTI2021

Cross-scale dynamics and the evolutionary emergence of infectious diseases

When emerging pathogens encounter new host species for which they are poorly adapted, they must evolve to escape extinction. Pathogens experience selection on traits at multiple scales, including replication rates within host individuals and transmissibility between hosts. We analyze a stochastic model linking pathogen growth and competition within individuals to transmission between individuals. Our analysis reveals a new factor, the cross-scale reproductive number of a mutant virion, that quantifies how quickly mutant strains increase in frequency when they initially appear in the infected host population. This cross-scale reproductive number combines with viral mutation rates, single-strain reproductive numbers, and transmission bottleneck width to determine the likelihood of evolutionary emergence, and whether evolution occurs swiftly or gradually within chains of transmission. We find that wider transmission bottlenecks facilitate emergence of pathogens with short-term infections, but hinder emergence of pathogens exhibiting cross-scale selective conflict and long-term infections. Furthermore, our results provide a framework to advance the integration of laboratory, clinical, and field data in the context of evolutionary theory, laying the foundation for a new generation of evidence-based risk assessment of emergence threats.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Impacts of Synoptic-Scale Dynamics on Clouds and Radiation in High Southern Latitudes

High-latitudinal mixed-phase clouds significantly affect Earth's radiative balance. Observations of cloud and radiative properties from two field campaigns in the Southern Ocean and Antarctica were compared with two global climate model simulations. A cyclone compositing method was used to quantify “dynamics-cloud-radiation” relationships relative to the extratropical cyclone centers. Observations show larger asymmetry in cloud and radiative properties between western and eastern sectors at McMurdo compared with Macquarie Island. Most observed quantities at McMurdo are higher in the western (i.e., post-frontal) than the eastern (frontal) sector, including cloud fraction, liquid water path (LWP), net surface shortwave and longwave radiation (SW and LW), except for ice water path (IWP) being higher in the eastern sector. Here, the two models were found to overestimate cloud fraction and LWP at Macquarie Island but underestimate them at McMurdo Station. IWP is consistently underestimated at both locations, both sectors, and in all seasons. Biases of cloud fraction, LWP, and IWP are negatively correlated with SW biases and positively correlated with LW biases. The persistent negative IWP biases may have become one of the leading causes of radiative biases over the high southern latitudes, after correcting the underestimation of supercooled liquid water in the older model versions. By examining multi-scale factors from cloud microphysics to synoptic dynamics, this work will help increase the fidelity of climate simulations in this remote region.

58 GEOSCIENCES↗
DOE OSTI2023

Energy transfer and scale dynamics in 2D and 3D laser-driven jets

We demonstrate a methodology for diagnosing the multiscale dynamics and energy transfer in complex HED flows with realistic driving and boundary conditions. The approach separates incompressible, compressible, and baropycnal contributions to energy scale-transfer and quantifies the direction of these transfers in (generalized) wavenumber space. We use this to compare the kinetic energy (KE) transfer across scales in simulations of 2D axisymmetric vs fully 3D laser-driven plasma jets. Using the FLASH code, we model a turbulent jet ablated from an aluminum cone target in the configuration outlined. We show that, in addition to its well known bias for underestimating hydrodynamic instability growth, 2D modeling suffers from significant spurious energization of the bulk flow by a turbulent upscale cascade. In 2D, this arises as vorticity and strain from instabilities near the jet's leading edge transfer KE upscale, sustaining a coherent circulation that helps propel the axisymmetric jet farther (⁠ ≈25% by 3.5 ns) and helps keep it collimated. In 3D, the coherent circulation and upscale KE transfer are absent. Here, the methodology presented here may also help with inter-model comparison and validation, including future modeling efforts to alleviate some of the 2D hydrodynamic artifacts highlighted in this study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1998

A Theoretical and Observational Study of Large and Small-Scale Dynamics in the Mesosphere and Lower Thermosphere in Support of TIMED

The long-term objectives of this IDS component of the TIMED mission are to define, through a combination of modeling and data analysis efforts, the influences of large- and small-scale waves (tidal, planetary, and gravity waves) on the circulation, structure, composition, and variability of the mesosphere and lower thermosphere. Particular emphasis is aimed at the TIMED core science objectives of defining the structure and energetics of the TIMED core region, approx. 60 to 180 km. To do so, however, it is also essential to understand the dynamical influences and contributions because of their considerable direct and indirect influences on structure and energetics. To accomplish these goals, we anticipate two parallel modeling efforts and a significant data analysis effort following TIMED launch. The modeling efforts will address both: the residual circulation response to mean and variable wave forcing of the MLT through development of a spherical model addressing balanced flow dynamics and transience and a more comprehensive effort addressing gravity wave propagation, interactions, nonlinearity, and spectral evolution and transports in canonical and realistic environments. The data analysis effort is envisioned to involve application of ground-based measurements and TIMED data analyses to a quantification of gravity wave forcing and effects at one or more sites with comprehensive measurement suites and extension of the inferred forcing globally, based on distributed ground-based measurements. Research results and publications resulting from the research are included.

Fritts, David C.↗
DOE OSTI2024

Atomic-Scale Dynamic Mechanisms of Embedded MoS 2 Wires

Nanowires composed of a 1:1 stoichiometry of transition metals and chalcogen ions can be fabricated from two-dimensional transition metal dichalcogenides (TMDs) by using electron beam irradiation. Wires fabricated through in situ experiments can be geometrically connected to TMD sheets in various ways, and their physical properties can vary accordingly. Understanding the structural transformation caused by electron beams is critical for designing wire-sheet structures for nanoelectronics. In this study, we report the behavior of nanowires formed inside a monolayer MoS 2 sheet by combining phase-contrast images and large-scale atomistic modeling. Here we investigate the effect of vacancies on the dynamic evolution of wires, such as rotations with different edge structures and breaking, by considering the interactions between MoS wires and MoS 2 nanosheets. The obtained insights can be applied to other monolayer TMDs to guide the behavior of TMD wires and fabricate favorable geometries for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Robust Large-Scale Dynamic Windows using Reversible Metal Electrodeposition

This project funded the study and development of dynamic windows based on reversible metal electrodeposition (RME). Dynamic windows allow user control over light and heat flow into and out of buildings, which offer both advantages in building aesthetics (with worker productivity improvement of 2%) and energy efficiency (up to 20% savings) compared to static controls such as low emissivity coatings and blinds/shades. Despite these advantages, dynamic windows, which traditionally rely on electrochromic metal oxides or conductive organic molecules for light modulation have failed to significantly impact the market due to issues related to cost, color, and optical dynamic range. Dynamic windows based on reversible metal electrodeposition (RME) are an exciting alternative approach and have the potential to overcome the issues associated with traditional technologies. A RME dynamic window is an electrochemical cell that modulates light using the reversible electrodeposition of metal on and off a transparent conducting oxide (TCO), which serves as the working electrode. The electrolyte has nearly colorless metal salts dissolved, and application of a cathodic potential on the TCO reduces the metal cations across the TCO surface to their metallic form, making a thin film that is efficient at blocking out light. A reverse in polarity oxidizes the metal, where it dissolves into solution, returning the window back to transparent. The counter electrode typically employed is a metal mesh, which is used to balance the electrochemical reactions happening on the TCO working electrode. These RME dynamic windows have the largest dynamic range (capable of reaching <<0.1% transmission) with color neutral tinting of any existing technology using solution processed techniques, which positions the technology as a promising candidate to penetrate the residential market. We have successfully scaled up the windows from 25 cm2 to 929 cm 2 , and we have demonstrated significant improvements to both the cycle life (10,000 cycles in a 3-electrode half-cell) and shelf life (>1 month) of our windows. We have published our work in high impact journals (6 published and 2 manuscripts in prep), filed 5 patents, and have incorporated TYNT Technologies to commercialize the technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Design and characterization of a phonon-mediated cryogenic particle detector with an eV-scale threshold and 100 keV-scale dynamic range

We present the design and characterization of a cryogenic phonon-sensitive Si detector exploiting the Neganov-Tromov-Luke effect to detect single-charge excitations. This device achieved 2.65(2) eV phonon energy resolution when operated without a voltage bias across the crystal and a corresponding charge resolution of 0.03 electron-hole pairs at 100 V bias. With a continuous-readout data acquisition system and an oine optimum-filter trigger, we obtain a 9.2 eV threshold with a trigger rate of the order of 20 Hz. The detector's energy scale is calibrated up to 120 keV using an energy estimator based on the pulse area. The high performance of this device allows its application to different fields where excellent energy resolution, low threshold, and large dynamic range are required, including dark matter searches, precision measurements of coherent neutrino-nucleus scattering, and ionization yield measurements.

Ren, R↗
DOE OSTI2020

Design and Characterization of a Phonon-Mediated Cryogenic Particle Detector with an eV-Scale Threshold and 100 keV-Scale Dynamic Range

We present the design and characterization of a cryogenic phonon-sensitive Si detector exploiting the Neganov-Trofimov-Luke effect to detect single-charge excitations. This device achieved 2.65(2) eV phonon energy resolution when operated without a voltage bias across the crystal and a corresponding charge resolution of 0.03 electron-hole pairs at 100 V bias. With a continuous-readout data acquisition system and an offline optimum-filter trigger, we obtain a 9.2 eV threshold with a trigger rate of the order of 20 Hz. The detector's energy scale is calibrated up to 120 keV using an energy estimator based on the pulse area. The high performance of this device allows its application to different fields where excellent energy resolution, low threshold, and large dynamic range are required, including dark matter searches, precision measurements of coherent neutrino-nucleus scattering, and ionization yield measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Dynamic scaling of order parameter fluctuations in model B

Brookhaven National Laboratory has performed a dedicated set of experiments, called the Beam Energy Scan (BES), with the goal of location a possible critical point in the phase diagram of nuclear matter, This point is analogous to the endpoint of the liquid-gas phase transition in water, where the liquid phase corresponds to a phase of hadrons, and the gas phase to a plasma of quarks and gluons. In order to describe the data generated by these experiments we have studied numerical simulations of the stochastic diffusion equation with a conserved charge. Here, we focus on the dynamics in the vicinity of a critical point in the Ising universality class. The model we consider is expected to describe the critical dynamics near a possible QCD critical point if the coupling of the order parameter to the momentum density of the fluid can be neglected. The simulations are performed on a spatial lattice, and the time evolution is performed using a Metropolis algorithm. We determine the dynamical critical exponent z ≃ 3.972(2), which agrees with predictions of the epsilon expansion. We also study non-equilibrium sweeps of the reduced temperature and observe approximate Kibble-Zurek scaling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Field-scale dynamics of planting dates in the US Corn Belt from 2000 to 2020

Crop planting dates are a dynamic feature of agricultural systems that respond to short- and long-term climate signals, crop and cultivar selection, and technology changes. Planting date records are essential for yield gap analyses, accurate crop modeling, and tracking farmer adaptations to weather and climate change. Although planting dates have high variation at local scales due to heterogeneity in farm resources and decision-making, available long-term data on planting dates is largely restricted to aggregated regional statistics or, at best, satellite-derived datasets with limited spatiotemporal extent and at resolutions unable to distinguish individual fields (> 250 m). Here, we generated retrospective annual field-scale (30 m) planting date maps for both maize and soybeans spanning 2000-2020 across a 12 state region in the United States Corn Belt based on Landsat satellite data and a large ground sample of over 28,000 maize and soybean fields. Using training data from 2015-2020 for model selection, we found that planting date predictions improved with harmonic regression of Landsat data and additional annual weather covariates. The preferred random forests model approximately doubled performance compared to a null model based on state median planting dates, capturing 47% of field-level variation for maize (mean absolute error, MAE = 7.4 days) and 44% for soybeans (MAE = 7.5 days) against held-out ground truth test data for 2008-2014. We also evaluated the full 2000-2020 dataset with state agricultural statistics, finding strong agreement with median planting dates for maize (R 2 = 0.76, MAE = 4.4 days) and slightly lower agreement for soybeans (R 2 = 0.65, MAE = 5.4 days) when aggregated to the state level. We then used this new dataset to analyze environmental determinants of planting dates at a finer-scale than previously possible, controlling for unobserved variation at the sub-state district level. We found that during 2000-2020, each standard deviation increase in rainfall delayed planting by ~ 2.5 days, and fields with higher soil productivity ratings tended to be planted earlier. We did not find meaningful trends over the last two decades in planting dates for maize or soybeans, in contrast to trends towards earlier planting dates late last century and predicted for this period in climate adaptation studies. We hypothesize increases in early season rainfall may have inhibited these shifts towards earlier planting. Remotely sensed planting dates will be a useful tool for yield gap analyses, crop simulation modeling, and ongoing assessment of climate adaptation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

DyG-DPCD: A Distributed Parallel Community Detection Algorithm for Large-Scale Dynamic Graphs

Dynamic (Temporal) graphs capture the valuable evolution of real-world systems, from the continuously evolving patterns of social interactions and genetic pathways to the dynamic fluctuations of economic forces. Detecting communities for such evolving networks poses unique challenges. Detecting and analyzing the evolution of communities within dynamic graphs unlocks valuable insights into the underlying structural and temporal patterns of real-world systems. However, the sheer volume of modern graph data and the inherent complexity of the temporal dimension pose significant challenges to scalable community detection algorithms. Addressing this gap, our work explores the limited landscape of scalable distributed-memory parallel methods specifically designed for dynamic network community detection. We propose a novel parallel algorithm, DyG-DPCD (Dynamic Graph Distributed Parallel Community Detection), to detect communities in dynamic networks using the Message Passing Interface (MPI) framework. We present a vertex-centric approach, allowing us to detect communities through local optimization. Furthermore, we enhance our baseline algorithm by incorporating three heuristics, which improve the algorithm’s performance significantly while maintaining the quality of the solutions. We demonstrate the efficiency of our algorithm by experimenting on several real-world large-scale networks with hundreds of millions of edges spanning diverse domains. Notably, DyG-DPCD achieves speedups between 25× and 30× for large networks that we experimented on using NERSC compute nodes. In conclusion, our algorithm outperforms the STINGER parallel re-agglomeration algorithm by 30×.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Multi-scale dynamics of magnetic flux tubes and inverse magnetic energy transfer

Here, we report on an analytical and numerical study of the dynamics of a three-dimensional array of identical magnetic flux tubes in the reduced-magnetohydrodynamic description of the plasma. We propose that the long-time evolution of this system is dictated by flux-tube mergers, and that such mergers are dynamically constrained by the conservation of the pertinent (ideal) invariants, viz. the magnetic potential and axial fluxes of each tube. We also propose that in the direction perpendicular to the merging plane, flux tubes evolve in a critically balanced fashion. These notions allow us to construct an analytical model for how quantities such as the magnetic energy and the energy-containing scale evolve as functions of time. Of particular importance is the conclusion that, like its two-dimensional counterpart, this system exhibits an inverse transfer of magnetic energy that terminates only at the system scale. We perform direct numerical simulations that confirm these predictions and reveal other interesting aspects of the evolution of the system. We find, for example, that the early time evolution is characterized by a sharp decay of the initial magnetic energy, which we attribute to the ubiquitous formation of current sheets. We also show that a quantitatively similar inverse transfer of magnetic energy is observed when the initial condition is a random, small-scale magnetic seed field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

Clear air turbulence as a response to meso- and synoptic-scale dynamic processes

The paper presents both the Roach equation for the rate of energy dissipation due to clear air turbulence and Richardson number tendencies in isentropic coordinates and examines the implications of these formulations to determine whether there is a dynamic interdependence between Ri and the nonturbulent deformation processes. The equation representing the ln(Ri) tendency is applied diagnostically to grids from an isentropic analysis of archived soundings. The evolution of the Richardson number fields over 12-hour time periods is examined using a mechanistic model. It is suggested that the application of the Roach equation for the turbulent dissipation rate should have a more restricted use. Analyses of the meso-alpha scale Richardson number and of the Richardson number tendency fields reveal a phase relationship consistent with the theoretical predictions.

Keller, John L.↗
DOE OSTI2020

Characterizing the Small-Scale Dynamical, Ice Microphysical, and Residual Aerosol Properties of Mid-Latitude Cold Clouds: A Pilot Study (Final Report)

Our understanding of cirrus clouds has been advancing rapidly due to improvements in measurements made inside clouds, computer cloud models, and laboratory experimentation. This advancement in knowledge has made it clear that cirrus are complicated systems where the intricate interactions among dynamic air motions, solar and terrestrial radiation, ice crystal growth, and water and air chemistry can substantially influence cirrus structure and evolution. Measurements made inside clouds have shown that cirrus crystals are often complex with shapes that are often unclassifiable, especially at small sizes. Laboratory measurements have revealed that the ice crystal surface is complex, even at small sizes. Recent laboratory and satellite studies show that this surface complexity modifies the radiative properties of cirrus clouds in important ways. Moreover, observations and computer cloud modeling work show that the larger and smaller scale properties of cirrus are sensitive to the interplay between small-scale air motions and the aerosol articles upon which cirrus ice crystals form. Taken together, these studies indicate that accurately accounting for the radiative properties of cirrus clouds requires knowing the air motions and aerosol properties that influence the number concentration and crystal size, along with an understanding of the surface properties of vapor grown ice. Although this prior work has been illuminating, there have been few studies that provide detailed shape and surface complexity measurements for the small ice crystals that often compose cirrus clouds.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2024

Land Cover Change Analysis and Spatial Variations in Southeast Asian Nations: Insights on Spatial Scale Dynamics

Land cover type is a fundamental aspect of studies using remote sensing for environmental analysis such as monitoring deforestation, quantifying wildland fire emissions, and more. There are many land cover products available for varying time periods and spatial resolutions, each with different land cover class definitions and number of land cover classes. These differences yield inherent variation in land cover estimates. In this study, we explore the spatial and areal variation between two major datasets for their commonly available time of 2018 to 2022 (MODIS 500m Land Cover and Esri Sentinel-2 10m land cover) in the continental Southeast Asia countries of Cambodia, Laos, Myanmar, Thailand, and Vietnam. To enable comparison, we resampled the datasets and reclassified the land cover classes to a common scheme. Major disagreement was detected between Esri and MODIS, especially for the wetlands/flooded vegetation class in which only 3.6% of pixels were in agreement. In addition to quantifying variation between the datasets, we quantify land cover change at the decadal scale of 2001, 2011, and 2021 for each country and identified province-level hotspots of land cover change. Cambodia experienced the highest rate of land cover change with 67.8% of total land area changed, followed by Vietnam (58.6%), Laos (50.2%), Myanmar (46.9%), and Thailand (46.3%). The highest rate of land cover change was detected in Odtar Mean Chey, Cambodia, which had large swaths of forest area cleared for agricultural production, river damming, and more. Ultimately, many areas in the region experienced forest clearing for crop production (i.e. rice) which appeared to be classified as wetland in the MODIS product, and crop in the Esri product. Myanmar was the only country which did not experience net decline in forest area over the 2001 to 2021 time period.

Land Cover Change↗
DOE OSTI2022

Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing

Polypeptoids differ from polypeptides in that the amide bond can more frequently adopt both cis and trans conformations. The transition between the two conformations requires overcoming a large energy barrier, making it difficult for conventional molecular simulations to adequately visit the cis and trans structures. A replica-exchange method is presented that allows for easy rotations of the amide bond and also an efficient linking to a high temperature replica. The method allows for just three replicas (one at the temperature and Hamiltonian of interest, a second high temperature replica with a biased dihedral potential, and a third connecting them) to overcome the amide bond sampling problem and also enhance sampling for other coordinates. Here our results indicate that for short peptoid oligomers, the conformations can range from all cis to all trans with an average cis/trans ratio that depends on side chain and potential model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗