Electro-chemo-mechanical finite-element model of single-crystal and polycrystalline NMC cathode particles embedded in an argyrodite solid electrolyte
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Taghikhani, Kasra (ORCID:0000000277638315)↗
SEARCH · Engineering Papers
Results for “continuum modeling”
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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Autoionizing polaritons with the Jaynes-Cummings model
Intense laser pulses have the capability to couple resonances in the continuum, leading to the formation of a split pair of autoionizing polaritons. These polaritons can exhibit extended lifetimes due to interference between radiative and Auger decay channels. In this work we show how an extension of the Jaynes-Cummings model to autoionizing states quantitatively reproduces the observed phenomenology. Furthermore, this extended model allows us to study how the dressing laser parameters can be tuned to control the ionization rate of the polariton multiplet.
74 ATOMIC AND MOLECULAR PHYSICS↗
Photoionization models for the winds from cataclysmic variables
Photoionization models are presented for the relative abundances of Si IV, C IV, and N V as a function of the ionization parameter and shape of the ionizing continuum spectrum in the EUV and X-ray energy range. These models are applied to the interpretation of the UV resonance lines observed from the cataclysmic variable TW Virginis by Cordova and Mason. The observed lines are assumed to be formed in gas flowing supersonically out from the continuum source in the form of a stellar wind. It is shown that the shape of the ionizing spectrum can be determined without assuming that the outflow is spherical by fitting to ratios of the line strengths. Models which fit the observed ratios include an X-ray continuum with a low-energy cutoff and may also include a lower luminosity component in the EUV spectral region. Under the added assumption of spherical outflow the derived ionization parameter for the X-ray component can be used to constrain the total mass flux in the wind.
Kallman, T. R.↗
Modeling and simulation of vascular tumors embedded in evolving capillary networks
Here in this work, we present a coupled 3D–1D model of solid tumor growth within a dynamically changing vascular network to facilitate realistic simulations of angiogenesis. Additionally, the model includes erosion of the extracellular matrix, interstitial flow, and coupled flow in blood vessels and tissue. We employ continuum mixture theory with stochastic Cahn–Hilliard type phase-field models of tumor growth. The interstitial flow is governed by a mesoscale version of Darcy’s law. The flow in the blood vessels is controlled by Poiseuille flow, and Starling’s law is applied to model the mass transfer in and out of blood vessels. The evolution of the network of blood vessels is orchestrated by the concentration of the tumor angiogenesis factors (TAFs); blood vessels grow towards the increasing TAFs concentrations. This process is not deterministic, allowing random growth of blood vessels and, therefore, due to the coupling of nutrients in tissue and vessels, makes the growth of tumors stochastic. We demonstrate the performance of the model by applying it to a variety of scenarios. Numerical experiments illustrate the flexibility of the model and its ability to generate satellite tumors. Simulations of the effects of angiogenesis on tumor growth are presented as well as sample-independent features of cancer.
3D–1D coupled blood flow models↗
A penny-shaped crack in a filament reinforced matrix. 1: The filament model
The electrostatic problem of a penny-shaped crack in an elastic matrix which reinforced by filaments or fibers perpendicular to the plane of the crack was studied. The elastic filament model was developed for application to evaluation studies of the stress intensity factor along the periphery of the crack, the stresses in the filaments or fibers, and the interface shear between the matrix and the filaments or fibers. The requirements expected of the model are a sufficiently accurate representation of the filament and applicability to the interaction problems involving a cracked elastic continuum with multi-filament reinforcements. The technique for developing the model and numerical examples of it are shown.
Erdogan, F.↗
Molecular dynamics and continuum analyses of the electrokinetic zeta potential in nanostructured slit channels
This work presents a theoretical and numerical study of electrokinetic flow and the zeta potential for the case of slit channels with nanoscale surface features of dimensions comparable to the Debye length, by employing molecular dynamics simulations and continuum-level analyses. Additionally, a simple analytical model for considering the average effect of such surface features producing nanoscale roughness is proposed by employing matched asymptotic solutions for the charge density and fluid flow field, and matching conditions that satisfy electroneutrality and the Onsager reciprocal relation between the electroosmotic flow rate and streaming current. The proposed analytical model quantitatively accounts for results from molecular dynamics simulations that consider the presence of ion solvation shells and surface hydration layers. Our analysis indicates that a simultaneous knowledge of the electroosmotic and pressure-driven flow rate or streaming current can be instrumental to unambiguously determine the zeta potential in the presence of nanoscale surface features.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Effect of diffusion constant on the morphology of dendrite growth in lithium metal batteries
Lithium dendrites can lead to a short circuit and battery failure, and developing strategies for their suppression is of considerable importance. In this work, we study the growth of dendrites in a simple model system where the solvent is a continuum and the lithium ions are hard spheres that can deposit by sticking to existing spheres or the electrode surface. Using stochastic dynamics simulations, we investigate the effect of applied voltage and diffusion constant on the growth of dendrites. We find that the diffusion constant is the most significant factor, and the inhomogeneity of the electric field does not play a significant role. Additionally, the growth is most pronounced when the applied voltage and diffusion constant are both low. We observe a structural change from broccoli to cauliflower shape as the diffusion constant is increased. The simulations suggest that a control of electrolyte parameters that impact lithium diffusion might be an attractive route to controlling dendrite growth.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
tonalli : an asexual genetic code to characterize APOGEE-2 stellar spectra. I. Validation with synthetic and solar spectra
ABSTRACT We present tonalli, a spectroscopic analysis python code that efficiently predicts effective temperature, stellar surface gravity, metallicity, $\alpha$-element abundance, and rotational and radial velocities for stars with effective temperatures between 3200 and 6250 K, observed with the Apache Point Observatory Galactic Evolution Experiment 2 (APOGEE-2). tonalli implements an asexual genetic algorithm to optimize the finding of the best comparison between a target spectrum and the continuum-normalized synthetic spectra library from the Model Atmospheres with a Radiative and Convective Scheme (MARCS), which is interpolated in each generation. Using simulated observed spectra and the APOGEE-2 solar spectrum of Vesta, we study the performance, limitations, accuracy, and precision of our tool. Finally, a Monte Carlo realization was implemented to estimate the uncertainties of each derived stellar parameter.
Adame, Lucía (ORCID:0000000263286099)↗
Observation of the near-threshold intruder 0 – resonance in 12 Be
A resonant state at $3.21^{+0.12}_{–0.04}$ MeV, located just above the one-neutron separation threshold, was observed for the first time in 12 Be from the 11 Be(d,p) 12 Be one-neutron transfer reaction in inverse kinematics. This state is assigned a spin-parity of 0 – according to the systematics of the level scheme of the N=8 isotones and decay-width analysis. Gamow coupled-channel and Gamow shell-model calculations show the importance of the continuum coupling, which dramatically influences the excitation energy and ordering of low-lying states. Various exotic structures associated with cross-shell intruding configurations in 12 Be and in its isotonic nucleus 11 Li are comparably discussed.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
mesoflow [SWR-22-56]
Mesoflow is a continuum scale simulation tool developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex surface morphologies (of catalysts/biomass particles among others) directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPU) compared to a single processor for representative problem sizes (2 million cell mesh).
Sitaraman, Hariswaran↗
APOGEE Data and Spectral Analysis from SDSS Data Release 16: Seven Years of Observations Including First Results from APOGEE-South
The spectral analysis and data products in Data Release 16 (DR16; 2019 December) from the high-resolution near-infrared Apache Point Observatory Galactic Evolution Experiment (APOGEE)-2/Sloan Digital Sky Survey (SDSS)-IV survey are described. Compared to the previous APOGEE data release (DR14; 2017 July), APOGEE DR16 includes about 200,000 new stellar spectra, of which 100,000 are from a new southern APOGEE instrument mounted on the 2.5 m du Pont telescope at Las Campanas Observatory in Chile. DR16 includes all data taken up to 2018 August, including data released in previous data releases. All of the data have been re-reduced and re-analyzed using the latest pipelines, resulting in a total of 473,307 spectra of 437,445 stars. Changes to the analysis methods for this release include, but are not limited to, the use of MARCS model atmospheres for calculation of the entire main grid of synthetic spectra used in the analysis, a new method for filling “holes” in the grids due to unconverged model atmospheres, and a new scheme for continuum normalization. Abundances of the neutron-capture element Ce are included for the first time. A new scheme for estimating uncertainties of the derived quantities using stars with multiple observations has been applied, and calibrated values of surface gravities for dwarf stars are now supplied. Compared to DR14, the radial velocities derived for this release more closely match those in the Gaia DR2 database, and a clear improvement in the spectral analysis of the coolest giants can be seen. The reduced spectra as well as the result of the analysis can be downloaded using links provided on the SDSS DR16 web page.
79 ASTRONOMY AND ASTROPHYSICS↗
Theory of the accretion column and cyclotron radiation in X ray pulsars
The energetics of the decelerating matter in the accretion column of X-ray pulsars is considered, in particular the Coulomb process. A two zone model is presented to account for the continuum and cyclotron line emission, incorporating a fan-beam radiation scheme, which appears able to explain the observed properties.
Meszaros, P.↗
Discovery of intrinsic linear polarization in SS433
Observations of variable linear polarization in the optical range in the unique radio and X-ray source SS 433, which is characterized by moving emission lines in its visible and near-IR spectra, are reported. The observations were made with an unfiltered GaAs photocathode covering the spectral region 3000-9000 A, with a passband characteristic wavelength near 7000 A. Measurements reveal the presence of both a long-term and a very short time-scale variation in linear polarization in the continuum and in H-alpha, which indicate that a substantial fraction of the polarization is intrinsic to SS 433 and not produced in the interstellar medium. It is suggested that the most likely source of polarization in the optical continuum is electron scattering, and constraints on models of SS 433 implied by the discovery of intrinsic polarization are considered.
Mclean, I. S.↗
Radiation and chemistry in the stratosphere - Sensitivity to O2 absorption cross sections in the Herzberg continuum
It is suggested that the discrepancies between observed and modeled vertical profiles of such halocarbons as CFCl3, as well as the problem of simultaneously fitting N2O, CH4, CF2Cl2 and CFCl3 profiles with a single eddy diffusion model, are due to an overestimation of the molecular oxygen absorption cross sections in the 200-220 nm spectral region. The replacement of current O2 cross sections in this range with values that are in better agreement with results for the compounds cited leads to N2O, CF2Cl2 and CFCl3 concentration reductions of factors 0.70, 0.62 and 0.19, respectively. Profiles of CH4, H2 and CO remain unchanged, and the predicted concentration of HNO3 above 30 km is reduced by about 50% for yet another improved fit with observations. It is noted that the correction proposed produces a 30% ozone increase near the 20-25 km peak.
Froidevaux, L.↗
The 1982 ultraviolet eclipse of the symbiotic binary AR Pav
Observations with the International Ultraviolet Explorer (IUE) of the symbiotic binary AR Pav through its 1982 eclipse show that the hot star is not eclipsed. The hot star is associated with an extended region of continuum emission which is partially eclipsed. The eclipsed radiation is hotter near to its center, with a maximum temperature of about 9000 K. The uneclipsed flux is hotter than this. UV emission lines are not measurably eclipsed and presumably arise in a much larger region than the continuum. These data provide new constraints on models of the system but also are apparently in contradiction to those based on ground-based data.
Hutchings, J. B.↗
Detection of the J-10 Manifold of the Pure Rotational Band of Phosphine on Saturn
The detection of the J = 10 manifold of the pure rotational band of PH3 on Saturn is reported. The observations were made from the far-infrared cooled grating spectrometer. The wavelengths and observed brightness temperatures for the full disk plus rings are 89 + or - 3 K at 97.04 micrometer, 77 + or - 3 K at 102.72 micrometer, 77 + or - 3 K at 102.94 micrometer, and 83 + or - 3 K at 105.12 micrometers. The points of 97.04 and 105.12 micrometers establish the continuum level and the two points near 103 micrometers measure the depth of the PH3 manifold. After the flux due to the rings is subtracted, the depth of the feature is 16 + or - 6 K relative to the nearby 102 K continuum. These results are compared to theoretical models which parameterize the PH3 mixing ratio as x = x sub zero (P/P sub zero)(alpha) for P P sub zero and as x = x sub zero for P or = P, where P is the total pressure and alpha = H/h is the ratio of the dynamical scale height (H) and the scale height for decreasing the PH3 mixing ratio (h). The parameters x sub zero, P sub zero, and h were varied, as well as the H/He mixing ratio and the pressure-temperature profile. The data are well fitted using pressure-temperature profiles. The preferred values of h, P sub zero, and x sub zero imply that there is little or no PH3 above the thermal inversion and that the mixing ratio below the inversion is consistent with PH3 being 1 to 4 times overabundant relative to the solar P/H ratio.
Haas, M. R.↗
Diffuser investigation for advanced multi-megawatt MPD engine development
Steady-state testing of advanced, multimegawatt MPD engines requires vacuum facilities with pumping speeds which are not presently available. Gas dynamic diffusers have been proposed as a possible solution to this problem. An analytical investigation into the feasibility of using a diffuser for pumping the MPD engine exhaust is presented here. This analysis uses a detailed equation of state based on the partition function for the high temperature argon exhaust. On the basis of the electron-ion momentum exchange collision frequency in the exhaust plasma, it was concluded that the diffuser gas dynamics could be modeled to a first approximation with ordinary continuum equations. Calculations of the stagnation pressure in the diffuser, downstream of a strong normal shock, yielded pressures on the order of 10 torr suggesting that the diffuser is feasible for pumping the MPD engine exhaust.
Brophy, J. R.↗
Chromosphere flare models
Further calculated results based on the F1 and F2 chromospheric models of Machado et al. (1980) are presented in addition to results from a model with enhanced temperatures relative to the weak-flare model F1 in the upper photosphere and low chromosphere, and from a model with enhanced temperatures relative to the strong flare model F2 in the upper chromosphere. The coupled equations of statistical equilibrium and radiative transfer for H, H(-), He I-II, C I-IV, Si I-II, Mg I-II, Fe, Al, O I-II, Na, and Ca II are solved, and the overall absorption and emission of radiation by lines throughout the spectrum are determined by means of a reduced set of opacities taken from a compilation of over 10 million lines. Semiempirical models show that the white light flare continuum may arise by extreme chromospheric overheating, as well as by an enhancement of the minimum temperature region.
Avrett, E. H.↗