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At least 127 records · Page 7

ECLEIRS: Exact conservation law embedded identification of reduced states for parameterized nonlinear conservation laws from sparse and noisy data

Multi-query applications such as parameter estimation, uncertainty quantification and design optimization for parameterized partial differential equation (PDE) systems are expensive. While reduced/latent state dynamics approaches for parameterized PDEs offer a viable alternative, these approaches rely on high-quality data and struggle with highly sparse spatiotemporal noisy measurements typically obtained from experiments. Furthermore, there is no guarantee that these models satisfy governing physical conservation laws. In this article, we propose a reduced state dynamics approach, referred to as ECLEIRS, that embeds exact conservation in the solution and flux representation by utilizing a space-time divergence-free neural network formulation. We compare ECLEIRS with other reduced state dynamics approaches, those that do not enforce any physical constraints and those with physics-informed loss functions, for three shock-propagation problems: 1-D advection, 1-D Burgers and 2-D Euler equations. In conclusion, the numerical experiments conducted in this study demonstrate that ECLEIRS provides the most accurate prediction of dynamics for unseen parameters even in the presence of highly sparse and noisy data.

97 MATHEMATICS AND COMPUTING↗

Parallelized Quadrupole Simulations of Thermographic Responses of Composites

Thermography has been shown to be a viable technique for inspection of composites. Model inversion of the thermography data requires a fast method for performing the forward problem. Viable numerical methods for the thermal response forward problem are finite element, finite difference and the quadrupole method. Normally both the finite element and finite difference methods solve for the thermal response in the time domain which limits one’s ability to increase the speed of the simulation by parallelization. In contrast, the quadrupole method solves for the Laplace transform of the thermal response. One of the features of the Laplace transform methodology is the solution at any discrete time is independent of the solution at all other times. Therefore, it is easy to separate into a set of independent calculations with each of the times of interest being performed in parallel. Additionally, the numeric inversion of the Laplace transform typically involves numerically solving for the Laplace transform at multiple Laplace frequencies. Each of those solutions are also independent of solutions at other frequencies and can be calculated in parallel. By parallelization of this method, it is possible to perform the simulations of three-dimensional configurations in seconds. When the input stimulus for thermal response is a delta function heat flux (a reasonable approximation for flash heating), the thermal response is smooth. For this case, it is possible to accurately estimate the thermal response at any time within a given time interval from a set of simulations separated by exponentially increasing time steps. From these simulations, it is possible to accurately interpolate to find the response at intermediate times by a spline interpolation of the logarithm of time versus logarithm of temperature. The thermal response with exponential time stepping is shown to produce values for the thermal response which are within 1% of values within the time interval. The simulations are compared to finite element simulations of the same inspection configurations. The simulations are also compared to the thermographic measurements on composites where shape and depth of the delaminations are obtained from other inspection methods.

Thermography↗

Parallelized Quadrupole Simulations of Thermographic Responses of Composites

Thermography has been shown to be a viable technique for inspection of composites. Model inversion of the thermography data requires a fast method for performing the forward problem. Viable numerical methods for the thermal response forward problem are finite element, finite difference and the quadrupole method. Normally both the finite element and finite difference methods solve for the thermal response in the time domain which limits one’s ability to increase the speed of the simulation by parallelization. In contrast, the quadrupole method solves for the Laplace transform of the thermal response. One of the features of the Laplace transform methodology is the solution at any discrete time is independent of the solution at all other times. Therefore, it is easy to separate into a set of independent calculations with each of the times of interest being performed in parallel. Additionally, the numeric inversion of the Laplace transform typically involves numerically solving for the Laplace transform at multiple Laplace frequencies. Each of those solutions are also independent of solutions at other frequencies and can be calculated in parallel. By parallelization of this method, it is possible to perform the simulations of three-dimensional configurations in seconds. When the input stimulus for thermal response is a delta function heat flux (a reasonable approximation for flash heating), the thermal response is smooth. For this case, it is possible to accurately estimate the thermal response at any time within a given time interval from a set of simulations separated by exponentially increasing time steps. From these simulations, it is possible to accurately interpolate to find the response at intermediate times by a spline interpolation of the logarithm of time versus logarithm of temperature. The thermal response with exponential time stepping is shown to produce values for the thermal response which are within 1% of values within the time interval. The simulations are compared to finite element simulations of the same inspection configurations. The simulations are also compared to the thermographic measurements on composites where shape and depth of the delaminations are obtained from other inspection methods.

Thermography↗

Numerical models for Halley dust environments

The algebra, parameter values, and results of a reference model for the dust environment of Comet P/Halley are presented. The model employs simplified treatments of the icy conglomerate nucleus and of the hydrodynamic outflow of gas and dust. The model includes a gas production rate derived from observations of Halley's visual magnitude in 1910, gas and dust flux nonuniformly distributed over the nuclear surface, a dust distribution function consistent with large particle inferences from comet antitails, dust density variable with mass, and an approximation to the distribution of particles near the dust envelope. Many parameter values are derived by analogy with the results for other comets. The features are incorporated in a computer program which calculates the concentration, flux, and fluence of dust particles as functions of time, position and particle mass.

Divine, N.↗

An interative solution of an integral equation for radiative transfer by using variational technique

An effective iterative technique is introduced to solve a nonlinear integral equation frequently associated with radiative transfer problems. The problem is formulated in such a way that each step of an iterative sequence requires the solution of a linear integral equation. The advantage of a previously introduced variational technique which utilizes a stepwise constant trial function is exploited to cope with the nonlinear problem. The method is simple and straightforward. Rapid convergence is obtained by employing a linear interpolation of the iterative solutions. Using absorption coefficients of the Milne-Eddington type, which are applicable to some planetary atmospheric radiation problems. Solutions are found in terms of temperature and radiative flux. These solutions are presented numerically and show excellent agreement with other numerical solutions.

Yoshikawa, K. K.↗

Simulation of mixing in the quick quench region of a rich burn-quick quench mix-lean burn combustor

A computer program was developed to study the mixing process in the quick quench region of a rich burn-quick quench mix-lean burn combustor. The computer program developed was based on the density-weighted, ensemble-averaged conservation equations of mass, momentum (full compressible Navier-Stokes), total energy, and species, closed by a k-epsilon turbulence model with wall functions. The combustion process was modeled by a two-step global reaction mechanism, and NO(x) formation was modeled by the Zeldovich mechanism. The formulation employed in the computer program and the essence of the numerical method of solution are described. Some results obtained for nonreacting and reacting flows with different main-flow to dilution-jet momentum flux ratios are also presented.

Shih, Tom I.-P.↗

Mn-53 and Al-26 evidence for solar cosmic ray constancy - An improved model for interpretation

A general, numerical method for calculating activities of solar cosmic ray produced radionuclides at any point within an irregularly shaped lunar rock of known surface contour and lunar surface orientation is described. This method is then used to predict the activities of Mn-53 andAl-26 as a function of postion within lunar rock 68815 for various assumed values of solar cosmic ray flux (J), rigidity (R sub 0), and rock erosion rate (ER). The predicted activities agree with the measured activities of Kohl et al. (1978) when values of R sub 0 = 100 MV, J = 70 p/sq cm-sec (4 pi, E greater than 10 MeV), ER not greater than 1 mm/m.y. and a total exposure time of 2 m.y. are assumed. These values are in agreement with those found for rocks exposed for not less than 10 m.y. and provide no evidence for variation of the average solar cosmic ray parameters between the last 2 and 10 m.y. intervals. When interpreted with the improved model the activity vs. depth profiles for three faces of 68815 show no evidence of SCR anisotropy or differential erosion.

Russ, G. P., III↗

Numerical Evaluation of Entry System Trajectory Control via Active Porosity Control of Transpiration Cooled Thermal Protection System

As space exploration expands, atmospheric descent requirements will tighten to improve landing accuracy to areas of interest. One way to meet higher landing accuracy requirements is by increasing vehicle maneuverability. This study explores the concept of manipulating a transpiration cooling scheme for entry capsules that could provide both active aerodynamic control as well as thermal protection for external surfaces. Numerical methods of fluid dynamics and heat transfer are presented to study the effectiveness of the concept in both thermal protection and entry vehicle attitude control. This effort works through development of an entry vehicle model at aeromaneuvering conditions with designated boundary activated for effects of transpiration cooling. Preliminary results show calculated values of heat flux and aerodynamic forces as a function of varying transpiration cooling flow rates. This contributes evidence of asymmetric cooling utilization as an additional mechanism for vehicle attitude control.

Caroline Anderson↗

Regulatory Coordination of Photophysical, Photochemical, and Biochemical Reactions in the Photosynthesis of Land Plants

Balance among the sequential photophysical, photochemical, and biochemical reactions of photosynthesis is needed for converting fleeting energy in light to stable energy in chemical bonds. Any imbalance acts as either a bottleneck for limiting photosynthetic efficiency or an agent for inducing structural and functional damage to photosynthetic apparatus. Not only must each reaction be carefully regulated, but regulatory processes must also be coordinated across the reactions. However, regulations of different stages of photosynthesis have rarely been studied jointly. Non-photochemical quenching (NPQ) and stomatal conductance (g s ) are key regulators of photophysical and biochemical reactions, respectively. Existing evidence suggests that the redox state of plastoquinone regulates g s and that the photochemical reactions are partially regulated by the ultrastructural dynamics of thylakoids induced by osmotic water fluxes in chloroplasts of land plants. To examine how these regulations are coordinated and feedback to each other, we simultaneously measured NPQ and gs and inferred the redox state of plastoquinone and the light-induced thylakoid swelling/shrinking on numerous C 3 and C 4 species. For all species measured, NPQ and gs covary with the redox states of the electron transport chain, particularly plastoquinone, and increase as thylakoid swelling is inferred. NPQ has the maximal sensitivity at the light intensity at which thylakoid is inferred to be fully swollen. Our findings suggest that plant energy and water use strategies are intimately linked by evolution, and studying the regulations of different photosynthetic stages as a whole can lead to new insights of the functioning of photosynthetic machinery in dynamic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Calculation of wall and free turbulent-shear flows at supersonic speeds

Supersonic turbulent flows are simulated numerically by solving the Reynolds-averaged full Navier-Stokes equations by an implicit finite-volume method. This flux-vector-split upwind scheme uses approximate factorization followed by line-Gauss-Seidel relaxations. The effects of turbulence are modeled by two eddy viscosity models. High-Reynolds-number form of the k-epsilon model is coupled with a wall-function to avoid excessive refinement of the grid in the low-Reynolds number regions. The k-epsilon equations are solved by the explicit-implicit MacCormack method. The algebraic Baldwin-Lomax model is also being used as an inexpensive alternative for the cases which do not experience massive separation. Several examples of two-dimensional solutions are given to illustrate both wall and free turbulent shear flows which include fluid dynamic phenomena, such as shocks, boundary layers, shear layers, wakes, separations and recirculations. The results compared with experimental data show good agreeent.

Baysal, O.↗

On the physics of waves in the solar atmosphere: Wave heating and wind acceleration

New calculations of the acoustic wave energy fluxes generated in the solar convective zone have been performed. The treatment of convective turbulence in the sun and solar-like stars, in particular, the precise nature of the turbulent power spectrum has been recognized as one of the most important issues in the wave generation problem. Several different functional forms for spatial and temporal spectra have been considered in the literature and differences between the energy fluxes obtained for different forms often exceed two orders of magnitude. The basic criterion for choosing the appropriate spectrum was the maximal efficiency of the wave generation. We have used a different approach based on physical and empirical arguments as well as on some results from numerical simulation of turbulent convection.

Musielak, Z. E.↗

The impact of land-surface wetness heterogeneity on mesoscale heat fluxes

Vertical heat fluxes associated with mesoscale circulations generated by land-surface wetness discontinuities are often stronger than turbulent fluxes, especially in the upper part of the atmospheric planetary boundary layer. As a result, they contribute significantly to the subgrid-scale fluxes in large-scale atmospheric models. Yet they are not considered in these models. To provide some insights into the possible parameterization of these fluxes in large-scale models, a state-of-the-art mesoscale numerical model was used to investigate the relationships between mesoscale heat fluxes and atmospheric and land-surface characteristics that play a key role in the generation of mesoscale circulations. The distribution of land-surface wetness, the wavenumber and the wavelength of the land-surface discontinuities, and the large-scale wind speed have a significant impact on the mesoscale heat fluxes. Empirical functions were derived to characterize the relationships between mesoscale heat fluxes and the spatial distribution of land-surface wetness. The strongest mesoscale heat fluxes were obtained for a wavelength of forcing corresponding approximately to the local Rossby deformation radius. The mesoscale heat fluxes are weakened by large-scale background winds but remain significant even with moderate winds.

Chen, Fei↗

Space Launch System Base Heating Test: Environments and Base Flow Physics

The NASA Space Launch System (SLS) vehicle is composed of four RS-25 liquid oxygen-hydrogen rocket engines in the core-stage and two 5-segment solid rocket boosters and as a result six hot supersonic plumes interact within the aft section of the vehicle during flight. Due to the complex nature of rocket plume-induced flows within the launch vehicle base during ascent and a new vehicle configuration, sub-scale wind tunnel testing is required to reduce SLS base convective environment uncertainty and design risk levels. This hot-fire test program was conducted at the CUBRC Large Energy National Shock (LENS) II short-duration test facility to simulate flight from altitudes of 50 kft to 210 kft. The test program is a challenging and innovative effort that has not been attempted in 40+ years for a NASA vehicle. This paper discusses the various trends of base convective heat flux and pressure as a function of altitude at various locations within the core-stage and booster base regions of the two-percent SLS wind tunnel model. In-depth understanding of the base flow physics is presented using the test data, infrared high-speed imaging and theory. The normalized test design environments are compared to various NASA semi-empirical numerical models to determine exceedance and conservatism of the flight scaled test-derived base design environments. Brief discussion of thermal impact to the launch vehicle base components is also presented.

Mehta, Manish↗

ReactionMechanismSimulator.jl: A modern approach to chemical kinetic mechanism simulation and analysis

Abstract We present ReactionMechanismSimulator.jl (RMS), a modern differentiable software for the simulation and analysis of chemical kinetic mechanisms, including multiphase systems. RMS has already been applied to problems in combustion, pyrolysis, polymers, pharmaceuticals, catalysis, and electrocatalysis. RMS is written in Julia, making it easy to develop and allowing it to take advantage of Julia's extensive numerical computing ecosystem. In addition to its extensive library of optimized analytic Jacobians, RMS can generate and use Jacobians computed using automatic differentiation and symbolically generated analytic Jacobians. RMS is demonstrated to be faster than Cantera and Chemkin in several benchmarks. RMS also implements an extensive set of features for analyzing chemical mechanisms, including a library of easy‐to‐call plotting functions, molecular structure resolved flux diagram generation, crash analysis, traditional sensitivity analysis, transitory sensitivity analysis, and an automatic mechanism analysis toolkit. RMS implements efficient adjoint and parallel forward sensitivity analyses. We also demonstrate the ease of adding new features to RMS.

Johnson, Matthew S.↗

Generation of monodisperse droplets by spontaneous condensation of flow in nozzles

Submicron size monodisperse particles are of interest in many industrial and scientific applications. These include the manufacture of ceramic parts using fine ceramic particles, the production of thin films by deposition of ionized clusters, monodisperse seed particles for laser anemometry, and the study of size dependence of cluster chemical and physical properties. An inexpensive and relatively easy way to generate such particles is by utilizing the phenomenon of spontaneous condensation. The phenomenon occurs when the vapor or a mixture of a vapor and a noncondensing gas is expanded at a high expansion rate. The saturation line is crossed with the supercooled vapor behaving like a gas, until all of a sudden at the so called Wilson point, condensation occurs, resulting in a large number of relatively monodisperse droplets. The droplet size is a function of the expansion rate, inlet conditions, mass fraction of vapor, gas properties, etc. Spontaneous condensation of steam and water vapor and air mixture in a one dimensional nozzle was modeled and the resulting equations solved numerically. The droplet size distribution at the exit of various one dimensional nozzles and the flow characteristics such as pressure ratio, mean droplet radius, vapor and droplet temperatures, nucleation flux, supercooling, wetness, etc., along the axial distance were obtained. The numerical results compared very well with the available experimental data. The effect of inlet conditions, nozzle expansion rates, and vapor mass fractions on droplet mean radius, droplet size distribution, and pressure ratio were examined.

Lai, Der-Shaiun↗

Aspects of a high-resolution scheme for the Navier-Stokes equations

In this paper we emphasize the importance of the form of the numerical dissipation model in computing accurate viscous flow solutions. A high-resolution scheme for viscous flows based on three-point central differencing and a matrix dissipation is considered. The various components of this scheme, including 'entropy fix', limiter function, and boundary-point dissipation are discussed. By analyzing boundary-point dissipation stencils, we confirm that with the matrix dissipation model the normal numerical dissipation terms in the streamwise momentum equation are independent of the Reynolds number. Such independence is not achieved with a scalar dissipation form. The accuracy of the central-difference scheme, with and without matrix dissipation, and the flux-difference split scheme of Roe, which is classified as a high-resolution scheme, is compared. For this comparison, three high Reynolds number laminar flows are considered. Solutions of the Navier-Stokes equations are obtained for low-speed flow over a flat plate, transonic flow over an airfoil with transition near the leading edge, and hypersonic flow over a compression ramp. The emphasis of the comparison is primarily on the details of the viscous flows. The necessity of the high-resolution property is revealed.

Swanson, R. C.↗

Assimilation of GOES Land Surface Data: Benefits to Numerical Weather Prediction

A technique has been developed for assimilating GOES-derived skin temperature tendencies and insolation into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature change closely agrees with the satellite observations. A critical assumption of the technique is that the availability of moisture (either from the soil or vegetation) is the least known term in the model's surface energy budget. Therefore, the simulated latent heat flux, which is a function of surface moisture availability, is adjusted based upon differences between the modeled and satellite observed skin temperature tendencies. An advantage of this technique is that satellite temperature tendencies are assimilated in an energetically consistent manner that avoids energy imbalances and surface stability problems that arise from direct assimilation of surface shelter temperatures. The fact that the rate of change of the satellite skin temperature is used rather than the absolute temperature means that sensor calibration is not as critical. The technique has been employed on a semi-operational basis at the GHCC within the PSU/CAR MM5 since 1 November 1998. A one-way nested grid configuration was employed with a 75 kin CONUS domain and a 25 km grid over the southeastern United States. Initial conditions were obtained from the 12 UTC Early Eta Data Assimilation System analyses and lateral boundary conditions from the Early Eta forecast available at 3 hour intervals. The satellite-derived land surface temperature tendencies and insolation were assimilated between two and five hours (1400 and 1650 UTC) of the forecast. We performed the assimilation on the Southeastern domain only. In addition, a control run without assimilation was performed to provide insight into the performance of the assimilation technique.

Lapenta, William M.↗

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗