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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Where did the tumor start? An inverse solver with sparse localization for tumor growth models

In this work, we present a numerical scheme for solving an inverse problem for parameter estimation in tumor growth models for glioblastomas, a form of aggressive primary brain tumor. The growth model is a reaction–diffusion partial differential equation (PDE) for the tumor concentration. We use a PDE-constrained optimization formulation for the inverse problem. The unknown parameters are the reaction coefficient (proliferation), the diffusion coefficient (infiltration), and the initial condition field for the tumor PDE. Segmentation of magnetic resonance imaging (MRI) scans drive the inverse problem where segmented tumor regions serve as partial observations of the tumor concentration. Like most cases in clinical practice, we use data from a single time snapshot. Moreover, the precise time relative to the initiation of the tumor is unknown, which poses an additional difficulty for inversion. We perform a frozen-coefficient spectral analysis and show that the inverse problem is severely ill-posed. We introduce a biophysically motivated regularization on the structure and magnitude of the tumor initial condition. In particular, we assume that the tumor starts at a few locations (enforced with a sparsity constraint on the initial condition of the tumor) and that the initial condition magnitude in the maximum norm is equal to one. We solve the resulting optimization problem using an inexact quasi-Newton method combined with a compressive sampling algorithm for the sparsity constraint. Our implementation uses PETSc and AccFFT libraries. We conduct numerical experiments on synthetic and clinical images to highlight the improved performance of our solver over a previously existing solver that uses standard two-norm regularization for the calibration parameters. The existing solver is unable to localize the initial condition. Our new solver can localize the initial condition and recover infiltration and proliferation. In clinical datasets (for which the ground truth is unknown), our solver results in qualitatively different solutions compared to the two-norm regularized solver.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

Vapor transport processes of Ge-chalcogenides under normal and reduced gravity conditions

Experimental and theoretical studies of the GeSe-GeI4 system revealed the multicomponent, multireaction nature of this system and the existence of a diffusion boundary layer; they also yielded equations for the prediction of diffusion limited mass transport rates. Vapor transport and crystal growth experiments of the GeSe-GeI4 and GeSe-Xe systems on earth and in a microgravity environment demonstrated the effects of convection and of microgravity on mass flux and crystal morphology. The surface and bulk morphology of GeSe crystals obtained for both systems in microgravity is considerably improved relative to ground-based specimens. Unexpected crystal growth phenomena were observed for the GeSe-Xenon system on recent Shuttle flights.

Wiedemeier, H.↗
NASA NTRS1989

Evolution of the sun's polar fields during sunspot cycle 21 - Poleward surges and long-term behavior

Longitudinally averaged observations of the photospheric field during 1976-1986 are analyzed using a flux transport model. The way in which source eruptions, supergranular diffusion, and meridional flow collaborate to produce strong, highly concentrated polar fields near sunspot minimum is clarified as follows: (1) widespread eruptions of individual bipolar magnetic regions, with their leading polarity flux equatorward of their trailing polarity flux, collectively establish a large-scale separation of polarities in latitude; (2) the low-latitude, leading polarity flux diffuses across the equator and merges with its opposite hemisphere counterpart; and (3) meridional flow carries the resulting surplus of trailing polarity flux to the poles, and concentrates it there against the spreading effect of diffusion. Episodic 'surges' of flux to the poles are induced by fluctuations in the source eruption rate. Simulations indicate that relatively weak, trailing polarity surges may occur even in a steady flow field. However, in order to account for the giant surges of alternating polarity and the resulting oscillations in the polar field strength observed during 1980-1982, both accelerated flow and enhanced eruption rates are required.

Wang, Y.-M.↗
NASA NTRS1986

Convective diffusion in protein crystal growth

A protein crystal modeled as a flat plate suspended in the parent solution, with the normal to the largest face perpendicular to gravity and the protein concentration in the solution adjacent to the plate taken to be the equilibrium solubility, is studied. The Navier-Stokes equation and the equation for convective diffusion in the boundary layer next to the plate are solved to calculate the flow velocity and the protein mass flux. The local rate of growth of the plate is shown to vary significantly with depth due to the convection. For an aqueous solution of lysozyme at a concentration of 40 mg/ml, the boundary layer at the top of a 1-mm-high crystal has a thickness of 80 microns at 1 g, and 2570 microns at 10 to the -6th g.

Baird, J. K.↗
NASA NTRS1986

The Martian climate and energy balance models with CO2/H2O atmospheres

The analysis begins with a seasonal energy balance model (EBM) for Mars. This is used to compute surface temperature versus x = sin(latitude) and time over the seasonal cycle. The core model also computes the evolving boundaries of the CO2 icecaps, net sublimational/condensation rates, and the resulting seasonal pressure wave. Model results are compared with surface temperature and pressure history data at Viking lander sites, indicating fairly good agreement when meridional heat transport is represented by a thermal diffusion coefficient D approx. 0.015 W/sq. m/K. Condensational wind distributions are also computed. An analytic model of Martian wind circulation is then proposed, as an extension of the EMB, which incorporates vertical wind profiles containing an x-dependent function evaluated by substitution in the equation defining the diffusion coefficient. This leads to a parameterization of D(x) and of the meridional circulation which recovers the high surface winds predicted by dynamic Mars atmosphere models (approx. 10 m/sec). Peak diffusion coefficients, D approx. 0.6 w/sq m/K, are found over strong Hadley zones - some 40 times larger than those of high-latitude baroclinic eddies. When the wind parameterization is used to find streamline patterns over Martian seasons, the resulting picture shows overturning hemispheric Hadley cells crossing the equator during solstices, and attaining peak intensities during the south summer dust storm season, while condensational winds are most important near the polar caps.

Hoffert, M. I.↗
DOE OSTI2025

From clutter to clarity: Emergent neural operators via questionnaire metrics

Real-world datasets in chemical engineering and bioengineering processes—such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials—can often be unlabeled or disorganized, rendering the training of existing supervised learning models ineffective at learning the underlying dynamics. To salvage these datasets for decision-making, we first seek to obtain clarity from the cluttered data. Here, we present a framework for developing “structural” generative models, discovering emergent equations, and constructing efficient emulators from scrambled datasets by integrating unsupervised organizational learning techniques (Questionnaires) with advanced deep learning architectures (Deep Hidden Physics Models and Deep Operator Networks). Our approach is demonstrated on two illustrative model systems: (a) a 1D advection–diffusion partial differential equation representing a winding underground pipe and (b) an ensemble of Stuart–Landau oscillators, an agent-based system of coupled ordinary differential equations. In both cases, we successfully reconstruct meaningful spatial, temporal, and parameter embeddings from scrambled data, enabling good predictions of system dynamics. As a result, we highlight the framework’s potential for broader applications, enabling data-driven system identification in fields with inherently disorganized or hidden parameter spaces.

42 ENGINEERING↗
NASA NTRS1977

Simple analytical solutions for spherically symmetric production and modulation of energetic solar particles

Exact analytical solutions are presented for the standard time-independent spherically symmetric convection-diffusion-adiabatic deceleration equation governing the transport of cosmic rays in the interplanetary medium for the case in which particles are produced with spherical symmetry at the sun. It is assumed that the solar-wind speed is constant and radial, and that the spatial diffusion coefficient has a power-law dependence on momentum. The Green's function describing the modulation of a monoenergetic production of particles is presented. The solutions provide a useful basis for the study of time-integrated properties of energetic solar-flare particle spectra.

Gross, M. W.↗
NASA NTRS1972

Synthesis of Jicamarca data during the great storm of March 8, 1970.

Continuous measurement of electron temperature and electron concentration during the great magnetic storm of Mar. 8, 1970, when the F2 peak rose as high as 800 km. Continuous measurements of the vertical component of E x B drift were made from 1130 to 1730 LT. A synthesis of the observed electron concentrations was made using a model that solved the time-dependent electron-ion continuity equation for O(+) and the molecular ions; the latter chemistry was included to improve the solutions at lower heights. It was found, using the observed values of vertical drift, that most of the observed features of the F2-region ionosphere were synthesized by the model. An interpretation of the synthesis that emphasizes the importance of horizontal diffusion at the equator is given. Observations are presented for Mar. 7, 8, and 9, 1970, including the Huancayo magnetograms, which display a close correlation with the drift measurements.

Woodman, R. F.↗
DOE OSTI2020

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the polynomial order used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Verification of the DIF3D Software to Support Fast Reactor Analysis (Rev. 3)

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A mass-transfer particle-tracking method for simulating transport with discontinuous diffusion coefficients

The problem of a spatially discontinuous diffusion coefficient (D(x)) is one that may be encountered in hydrogeologic systems due to natural geological features or as a consequence of numerical discretization of flow properties. To date, mass-transfer particle-tracking (MTPT) methods, a family of Lagrangian methods in which diffusion is jointly simulated by random walk and diffusive mass transfers, have been unable to solve this problem. This manuscript presents a new mass-transfer (MT) algorithm that enables MTPT methods to accurately solve the problem of discontinuous D(x). To achieve this, we derive a semi-analytical solution to the discontinuous D(x) problem by employing a predictor-corrector approach, and we use this semi-analytical solution as the weighting function in a reformulated MT algorithm. Furthermore, this semi-analytical solution is generalized for cases with multiple 1D interfaces as well as for 2D cases, including a 2 × 2 tiling of 4 subdomains that corresponds to a numerically-generated diffusion field. The solutions generated by this new mass-transfer algorithm closely agree with an analytical 1D solution or, in more complicated cases, trusted numerical results, demonstrating the success of our proposed approach.

42 ENGINEERING↗
DOE OSTI2020

Operator inference for non-intrusive model reduction of systems with non-polynomial nonlinear terms

Here in this work we present a non-intrusive model reduction method to learn low-dimensional models of dynamical systems with non-polynomial nonlinear terms that are spatially local and that are given in analytic form. In contrast to state-of-the-art model reduction methods that are intrusive and thus require full knowledge of the governing equations and the operators of a full model of the discretized dynamical system, the proposed approach requires only the non-polynomial terms in analytic form and learns the rest of the dynamics from snapshots computed with a potentially black-box full-model solver. The proposed method learns operators for the linear and polynomially nonlinear dynamics via a least-squares problem, where the given non-polynomial terms are incorporated on the right-hand side. The least-squares problem is linear and thus can be solved efficiently in practice. The proposed method is demonstrated on three problems governed by partial differential equations, namely the diffusion–reaction Chafee–Infante model, a tubular reactor model for reactive flows, and a batch-chromatography model that describes a chemical separation process. The numerical results provide evidence that the proposed approach learns reduced models that achieve comparable accuracy as models constructed with state-of-the-art intrusive model reduction methods that require full knowledge of the governing equations.

42 ENGINEERING↗
NASA NTRS1991

Single Doppler radar and lidar studies of the dynamics of mixed layers and overlying stable regions

Some examples of profiles of PBL quantities retrieved from Doppler radar and lidar observations are shown, and the extent to which the deduced quantities agree with the traditional eddy viscosity concept is examined. It is found in one case that the concept of 'top down bottom up' diffusion introduced by Wyngaard (1983) is more pertinent than that of the eddy viscosity. In another case it is found that, in stable layers with sufficiently large Richardson number, the momentum fluxes could be counter-gradient. In this latter case the use of a negative turbulence diffusion coefficient would result in an ill-posed differential equation, thus confusing the 'diffusion problem'.

Xu, Mei↗
NASA NTRS1990

Injection and diffusive transport of suprathermal through energetic solar flare protons (35 keV to 20 MeV)

Consideration is given to the injection and interplanetary propagation of low-energy protons caused by the solar particle event of July 20, 1981, in which flare protons in the range from 35 keV to 20 MeV were observed by instruments on ISEE 3. The observed time-intensity and time-anisotropy profiles were fitted over the entire energy range using a model based on the spherically symmetric Fokker-Plank equation, including convection, diffusion, and adiabatic deceleration. The results are used to discuss the behavior of the radial interplanetary diffusion coefficient and the scattering mean free path for protons. Also, evidence is found for diffusive coronal shock acceleration of protons during the event.

Beeck, J.↗
NASA NTRS1975

Wave theory of turbulence in compressible media (acoustic theory of turbulence)

The generation and the transmission of sound in turbulent flows are treated as one of the several aspects of wave propagation in turbulence. Fluid fluctuations are decomposed into orthogonal Fourier components, with five interacting modes of wave propagation: two vorticity modes, one entropy mode, and two acoustic modes. Wave interactions, governed by the inhomogeneous and nonlinear terms of the perturbed Navier-Stokes equations, are modeled by random functions which give the rates of change of wave amplitudes equal to the averaged interaction terms. The statistical framework adopted is a quantum-like formulation in terms of complex distribution functions. The spatial probability distributions are given by the squares of the absolute values of the complex characteristic functions. This formulation results in nonlinear diffusion-type transport equations for the probability densities of the five modes of wave propagation.

Kentzer, C. P.↗
NASA NTRS1983

Analytical Modeling of Operating Characteristics of Premixing-prevaporizing Fuel-air Mixing Passages

A model for predicting the distribution of liquid fuel droplets and fuel vapor in premixing-prevaporizing fuel-air mixing passages of the direct injection type is described. This model consists of three computer programs: a calculation of the two dimensional or axisymmetric air flow field neglecting the effects of fuel; a calculation of the three dimensional fuel droplet trajectories and evaporation rates in a known, moving air flow; and a calculation of fuel vapor diffusing into a moving three dimensional air flow with source terms dependent on the droplet evaporation rates. The air flow calculation can treat compressible swirling flows in arbitrary ducts with arbitrary distributions of temperature and velocity as initial conditions. The fuel droplets are treated as initial conditions. The fuel droplets are treated as individual particle classes each satisfying Newton's law, a heat transfer, and a mass transfer equation. The vapor diffusion calculation treats three dimensional, gas phase, turbulent diffusion processes with the turbulence level determined by the air flow calculations and the source terms determined by the droplet evaporation rates.

Anderson, O. L.↗
NASA NTRS1984

Pitch angle diffusion in the Jovian magnetodisc

Using a linear approximation to the field variation and a mathematical technique for distorting the orbit integration into the complex gyrophase plane, a formula is derived for the nonadiabatic change in magnetic moment. This change varies as the cosine of the particle gyrophase at the equator, so that if a particle traverses the equator several times with different values of this gyrophase, it suffers randomly correlated values for the nonadiabatic change in magnetic moment. The algebraic formula for this nonadiabatic change is found to be in excellent agreement with previous numerical computations. The phase space density, averaged over several bounce periods, is found to satisfy a diffusion equation in pitch angle. The diffusion coefficient is dependent on particle energy, pitch angle, and the field line along which the particles are moving.

Birmingham, T. J.↗