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Results for “Maxwell method”
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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Data-driven, structure-preserving approximations to entropy-based moment closures for kinetic equations
In this study, we present a data-driven approach for approximating entropy-based closures of moment systems from kinetic equations. The proposed closure learns the entropy function by fitting the map between the moments and the entropy of the moment system, and thus does not depend on the spacetime discretization of the moment system or specific problem configurations such as initial and boundary conditions. With convex and C 2 approximations, this data-driven closure inherits several structural properties from entropy-based closures, such as entropy dissipation, hyperbolicity, and H-Theorem. We construct convex approximations to the Maxwell–Boltzmann entropy using convex splines and neural networks, test them on the plane source benchmark problem for linear transport in slab geometry, and compare the results to the standard, entropy-based systems which solve a convex optimization problem to find the closure. Numerical results indicate that these data-driven closures provide accurate solutions in much less computation time than that required by the optimization routine.
Medium amplitude parallel superposition (MAPS) rheology. Part 2: Experimental protocols and data analysis
An experimental protocol is developed to directly measure the new material functions revealed by medium amplitude parallel superposition (MAPS) rheology. This protocol measures the medium amplitude response of a material to a simple shear deformation composed of three sine waves at different frequencies, revealing a rich dataset consisting of up to 19 measurements of the third-order complex modulus at distinct three-frequency coordinates. We discuss how the choice of input frequencies influences the features of the MAPS domain studied by the experiment. A polynomial interpolation method for reducing the bias of measured values from spectral leakage and reducing variance due to noise is discussed, including a derivation of the optimal range of amplitudes for the input signal. This leads to the conclusion that conducting the experiment in a stress-controlled fashion possesses a distinct advantage to the strain-controlled mode. The experimental protocol is demonstrated through measurements of the MAPS response of a model complex fluid: a surfactant solution of wormlike micelles. The resulting dataset is indeed large and feature-rich, while still acquired in a time comparable to similar medium amplitude oscillatory shear (MAOS) experiments. We demonstrate that the data represent measurements of an intrinsic material function by studying its internal consistency, compatibility with low-frequency predictions for Coleman–Noll simple fluids, and agreement with data obtained via MAOS amplitude sweeps. Finally, the data are compared to predictions from the corotational Maxwell model to demonstrate the power of MAPS rheology in determining whether a constitutive model is consistent with a material’s time-dependent response.
The Nature of Standing Plasma Waves Following Fast Breakdown in Thunderstorms
Narrow bipolar events (NBEs) are produced by large-scale systems of streamer corona discharges that occur inside thunderstorms and radiate intensely at very-high frequencies. Here we examine 14 high-power NBEs recorded in Florida which are followed by a lasting oscillatory signal. We isolate the dominant frequencies of the oscillations using empirical mode decomposition methods, and cross-reference this information with the radiator size inferred from broadband interferometry. We conclude that the oscillations are evidence of a standing electromagnetic wave in the plasma cavity created by the preceding streamer system, that is, the cavity's fundamental mode with wavelength equal to twice the radiator length. Contrasting the dispersive and attenuation properties of these waves across several different events allows us to conclude that the cavity is filled with ions resulting in an average conductivity of 0.01–0.1 mS/m, which are left behind after the streamers decay via electron attachment to oxygen molecules.
Evaluating Contributions of Pitch-Carbon Coating to Improved Stability of Si Anodes Through Voltage-Resolved Multi-Phase Characterization
Silicon nanoparticles have emerged as a promising alternative to graphite to improve the energy density of next-generation lithium-ion battery anodes. Nano-sized Si domains facilitate rapid ion transport and minimize particle-scale mechanical degradation, but also exhibit increased (electro)chemical reactivity with Li-ion electrolyte components due to their high surface area. We have previously demonstrated that surface modification of Si nanoparticles with pitch-carbon is an effective strategy to reduce these parasitic reactions. In the present work, we holistically evaluate the mechanistic contribution of pitch-carbon coating to the observed stability improvement over uncoated Si. We utilize coupled in situ and ex situ methods to probe changes to solid-surface, volatile headspace, and gas-phase chemistry occurring during initial cycling. Measurements taken at targeted potentials associated with electrolyte species reduction enables the decoupling of specific reaction pathways tied to interfacial stability. Further, we demonstrate the non-trivial role of gas reconsumption in dictating the nature of the passivating surface layer evolved on both uncoated and pitch-coated Si. This multi-phase analysis offers insights into the mechanism of effective surface passivation, which may be applied to inform future Si material development.
Simulating coupled surface–subsurface flows with ParFlow v3.5.0: capabilities, applications, and ongoing development of an open-source, massively parallel, integrated hydrologic model
Surface flow and subsurface flow constitute a naturally linked hydrologic continuum that has not traditionally been simulated in an integrated fashion. Recognizing the interactions between these systems has encouraged the development of integrated hydrologic models (IHMs) capable of treating surface and subsurface systems as a single integrated resource. IHMs are dynamically evolving with improvements in technology, and the extent of their current capabilities are often only known to the developers and not general users. This article provides an overview of the core functionality, capability, applications, and ongoing development of one open-source IHM, ParFlow. ParFlow is a parallel, integrated, hydrologic model that simulates surface and subsurface flows. ParFlow solves the Richards equation for three-dimensional variably saturated groundwater flow and the two-dimensional kinematic wave approximation of the shallow water equations for overland flow. The model employs a conservative centered finite-difference scheme and a conservative finite-volume method for subsurface flow and transport, respectively. ParFlow uses multigrid-preconditioned Krylov and Newton–Krylov methods to solve the linear and nonlinear systems within each time step of the flow simulations. The code has demonstrated very efficient parallel solution capabilities. ParFlow has been coupled to geochemical reaction, land surface (e.g., the Common Land Model), and atmospheric models to study the interactions among the subsurface, land surface, and atmosphere systems across different spatial scales. This overview focuses on the current capabilities of the code, the core simulation engine, and the primary couplings of the subsurface model to other codes, taking a high-level perspective.
WISDOM project – XVIII. Molecular gas distributions and kinematics of three megamaser galaxies
ABSTRACT The co-evolution of galaxies and supermassive black holes (SMBHs) underpins our understanding of galaxy evolution, but different methods to measure SMBH masses have only infrequently been cross-checked. We attempt to identify targets to cross-check two of the most accurate methods, megamaser, and cold molecular gas dynamics. Three promising galaxies are selected from all those with existing megamaser SMBH mass measurements. We present Atacama Large Millimeter/sub-millimeter Array (ALMA) 12CO (2–1) and 230-GHz continuum observations with angular resolutions of ≈0${_{.}^{\prime\prime}}$5. Every galaxy has an extended rotating molecular gas disc and 230-GHz continuum source(s), but all also have irregularities and/or non-axisymmetric features: NGC 1194 is highly inclined and has disturbed and lopsided central 12CO (2–1) emission; NGC 3393 has a nuclear disc with fairly regular but patchy 12CO (2–1) emission with little gas near the kinematic major axis, faint emission in the very centre, and two brighter structures reminiscent of a nuclear ring and/or spiral; NGC 5765B has a strong bar and very bright 12CO (2–1) emission concentrated along two bisymmetric offset dust lanes and two bisymmetric nuclear spiral arms. 12CO (2–1) and 12CO (3–2) observations with the James Clerk Maxwell Telescope are compared with the ALMA observations. Because of the disturbed gas kinematics and the impractically long integration times required for higher angular resolution observations, none of the three galaxies is suitable for a future SMBH mass measurement. None the less, increasing the number of molecular gas observations of megamaser galaxies is valuable, and the ubiquitous disturbances suggest a link between large-scale gas properties and the existence of megamasers.
Extrusion‐Spheronization of Energetic Materials
The prevailing method to produce plastic‐bonded explosive (PBX) molding powder, or “prills”, is a complex, multiphase, and bespoke process that was developed by the high explosives (HEs) manufacturing industry several decades ago. This work demonstrates the utility of a simpler, widely‐used mechanical process—extrusion‐spheronization—to produce PBX prills. We begin by detailing precautions taken to enable safe remote operation of extrusion‐spheronization equipment with HE. We then perform a study investigating the effect of lacquer solvent composition on the particle packing, pressed density, and compressive strength properties of a 95 wt.% TATB/5 wt.% polymer binder formulation akin to PBX 9502. It was found that increased composition of low vapor pressure solvents caused prolonged retention of the solvent, resulting in tackier materials that would agglomerate and form larger prills. The larger prills also led to lower poured density and tapped density of HE prills and compressive strength of pressed PBX articles. The samples prepared with a 75% propyl acetate/25% butyl acetate lacquer solvent composition exhibited the highest compressive strength. However, it is believed that the prill packing and compressive strength properties are primarily driven by the prill size rather than the chemical composition of the lacquer itself. Extrusion‐spheronization remains a promising method to reliably and repeatably produce HE prills that is less sensitive to feedstock or process variation than traditional methods.
A High-Magnetic-Field Polarized 3He Target for JLab's CLAS12 Spectrometer
We are developing a polarized 3He target for use in high luminosity electron scattering experiments within the high magnetic field environment of Jefferson Lab's CLAS12 spectrometer. By combining recent advancements in metastability exchange optical pumping (MEOP) of 3He with cryogenic, double-cell target methods as used for the MIT-Bates 88-02 experiment, a target with polarization and gas density comparable to traditional, low-field polarized 3He targets can be reached within high magnetic field environments. We have begun polarizing sealed 3He cells at fields up to 5 T at Jefferson Lab, and are preparing for our first tests exploring polarization performance versus magnetic field and gas pressure in a single cell before we move to the construction of a full, cryogenic, double-cell prototype target. A key focus of our research is the determination of polarization relaxation under the irradiation of an ionizing particle beam within high magnetic fields.
A new cw-NMR Q-meter for dynamically polarized targets for particle physics
Polarized solid targets produced via Dynamic Nuclear Polarization rely on Continuous-Wave Nuclear Magnetism Resonance measurements to accurately determine the degree of polarization of bulk samples polarized to nearly 100%. Since the late 1970's phase sensitive detection methods have been utilized to observe the magnetization of a sample as a small change in inductance under RF excitation near the Larmor frequency of the nuclear species of interest, using a device known as a Q-meter. Liverpool Q-meters, produced in the UK in the 80's and 90's, have been the workhorse devices for these targets for decades, however their age and scarcity has meant new systems are needed. In conclusion, we describe a Q-meter system designed and built at Jefferson Lab in the Liverpool style to have comparable electronic performance with several improvements to update and adapt the devices for modern use.
Proton form factor ratio μ p G E p / G M p from double spin asymmetry
We report the ratio of the electric and magnetic form factor of the proton, $\mu_p G_E^p/G_M^p$, has been measured for elastic electron-proton scattering with polarized beam and target up to four-momentum transfer squared, $Q^2=5.66$ (GeV/c)$^2$ using the double spin asymmetry for target spin orientation aligned nearly perpendicular to the beam momentum direction. This measurement of $\mu_p G_E^p/G_M^p$ agrees with the $Q^2$ dependence of previous recoil polarization data and reconfirms the discrepancy at high $Q^2$ between the Rosenbluth and the polarization-transfer method with a different measurement technique and systematic uncertainties uncorrelated to those of the recoil-polarization measurements. The form factor ratio at $Q^2$=2.06 (GeV/c)$^2$ has been measured as $\mu_p G_E^p/G_M^p = 0.720 \pm 0.176_{stat} \pm 0.039_{sys}$, which is in agreement with an earlier measurement with the polarized target technique at similar kinematics. The form factor ratio at $Q^2$=5.66 (GeV/c)$^2$ has been determined as $\mu_p G_E^p/G_M^p=0.244\pm0.353_{stat}\pm0.013_{sys}$, which represents the highest $Q^2$ reach with the double spin asymmetry with polarized target to date.
The Gemini Planet Imager View of the HD 32297 Debris Disk
We present new H-band scattered light images of the HD 32297 edge-on debris disk obtained with the Gemini Planet Imager. The disk is detected in total and polarized intensity down to a projected angular separation of 0.″15, or 20 au. On the other hand, the large-scale swept-back halo remains undetected, likely a consequence of its markedly blue color relative to the parent body belt. We analyze the curvature of the disk spine and estimate a radius of ≈100 au for the parent body belt, smaller than past scattered light studies but consistent with thermal emission maps of the system. We employ three different flux-preserving post-processing methods to suppress the residual starlight and evaluate the surface brightness and polarization profile along the disk spine. Unlike past studies of the system, our high-fidelity images reveal the disk to be highly symmetric and devoid of morphological and surface brightness perturbations. We find the dust scattering properties of the system to be consistent with those observed in other debris disks, with the exception of HR 4796. Finally, we find no direct evidence for the presence of a planetary-mass object in the system.
Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique
Abstract We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas ) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.
Deformations, relaxation, and broken symmetries in liquids, solids, and glasses: A unified topological field theory
Here, we combine hydrodynamic and field theoretic methods to develop a general theory of phonons as Goldstone bosons in crystals, glasses, and liquids based on nonaffine displacements and the consequent Goldstone phase relaxation. We relate the conservation, or lack thereof, of specific higher-form currents with properties of the underlying deformation field—nonaffinity—which dictates how molecules move under an applied stress or deformation. In particular, the single-valuedness of the deformation field is associated with conservation of higher-form charges that count the number of topological defects. Our formalism predicts, from first principles, the presence of propagating shear waves above a critical wave vector in liquids, thus giving a formal derivation of the phenomenon in terms of fundamental symmetries. The same picture provides also a theoretical explanation of the corresponding “positive sound dispersion” phenomenon for longitudinal sound. Importantly, accordingly to our theory, the main collective relaxation timescale of a liquid or a glass (known as the α relaxation for the latter) is given by the phase relaxation time, which is not necessarily related to the Maxwell time. Finally, we build a nonequilibrium effective action using the in-in formalism defined on the Schwinger-Keldysh contour, that further supports the emerging picture. In summary, our work suggests that the fundamental difference between solids, fluids, and glasses has to be identified with the associated generalized higher-form global symmetries and their topological structure, and that the Burgers vector for the displacement fields serves as a suitable topological order parameter distinguishing the solid (ordered) phase and the amorphous ones (fluids, glasses).
Extracting scattering amplitudes for arbitrary two-particle systems with one-particle left-hand cuts via lattice QCD
We derive a general formalism that relates the spectrum of two-particle systems in a finite volume to physical scattering amplitudes, taking into account the presence of any left-hand branch cuts due to single-particle exchanges. The method first relates the finite-volume spectrum to an infinite-volume short-range quantity, denoted ${\mathcal{M}}_0$, and then relates the latter to the physical scattering amplitudes via known integral equations. The derivation of both relations is performed using all-orders perturbation theory and is exact up to neglected exponentially suppressed volume dependence. The relations hold for arbitrary two-particle systems with any number of coupled channels, non-identical and non-degenerate particles, and any intrinsic spin.
Early calendar life and health prediction of silicon batteries via machine learning with uncertainty quantification
Lithium-ion batteries with silicon anodes promise high energy density but are limited by calendar lifetime. Reducing the long iteration time to obtain experimental results requires predicting calendar lifetime early in a cell's life. In this study, we demonstrate that lightweight machine learning models with feature engineering can provide calendar lifetime estimates from early electrochemical signals. After 1 month of electrochemical aging, the best models achieve 10% error in calendar-life prediction and can separate "bad" from "good" lifetime cells with a mean F1 score of 0.857. As battery systems exhibit inherent variability, four methods for uncertainty quantification are compared, and confidence intervals are demonstrated with an uncertainty of +-3.6 months in lifetime prediction. A feature importance analysis indicates that early patterns in voltage decay are the strongest indicators of calendar lifetime. Finally, this modeling approach has high error when generalizing to new electrode chemistries or testing conditions but with appropriately low confidence.
Li2O-Based Cathode Additives Enabling Prelithiation of Si Anodes
Low first-cycle Coulombic efficiency is especially poor for silicon (Si)-based anodes due to the high surface area of the Si-active material and extensive electrolyte decomposition during the initial cycles forming the solid electrolyte interphase (SEI). Therefore, developing successful prelithiation methods will greatly benefit the development of lithium-ion batteries (LiBs) utilizing Si anodes. In pursuit of this goal, in this study, lithium oxide (Li2O) was added to a LiNi0.6Mn0.2Co0.2O2 (NMC622) cathode using a scalable ball-milling approach to compensate for the initial Li loss at the anode. Different milling conditions were tested to evaluate the impact of particle morphology on the additive performance. In addition, Co3O4, a well-known oxygen evolution reaction catalyst, was introduced to facilitate the activation of Li2O. The Li2O + Co3O4 additives successfully delivered an additional capacity of 1116 mAh/gLi2O when charged up to 4.3 V in half cells and 1035 mAh/gLi2O when charged up to 4.1 V in full cells using Si anodes.
CROCUS Urban Fluxes of CO₂, H₂O, and Turbulence at University of Illinois Chicago
As of May 12, 2026 this dataset is currently being versioned to include data up to April 2026. Once the versioning process is complete, new data files will be available for access. The dataset metadata will also be updated to reflect the data availability of the new data being versioned. This dataset was collected at the UIC Plant Research Laboratory in Chicago, Illinois, as part of the Community Research on Climate and Urban Science (CROCUS) Urban Integrated Field Laboratory (UIFL) project, led by Argonne National Laboratory. The site provides continuous atmospheric flux measurements, focusing on CO₂, H₂O, and heat and momentum transport in an urban setting. The data is processed at 30 minutes interval using the Eddy Covariance method and includes quality control and diagnostic data generated by EddyPro software. The data is stored in the netCDF files following CF conventions. The UIC Plant Research Laboratory is located near major highways and urban infrastructure, including buildings and parking areas. The surrounding landscape consists of a mix of turf, plants, trees, and impervious surfaces such as concrete and asphalt, making it ideal for studying urban at for studies on urban sustainability, air quality, and the effects of urbanization on atmospheric processes on urban climate dynamics, air quality, and surface-atmosphere exchanges within the city of Chicago. This dataset is funded by the U.S. Department of Energy’s Office of Science, Biological and Environmental Research (BER) program.