SEARCH · Search NASA

Results for “Implicit 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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31

All sources NASA NTRS DOE OSTI

NASA NTRS1993

Proteus three-dimensional Navier-Stokes computer code, version 1.0. Volume 3: Programmer's reference

A computer code called Proteus 3D was developed to solve the three-dimensional, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. The Programmer's Reference contains detailed information useful when modifying the program. The program structure, the Fortran variables stored in common blocks, and the details of each subprogram are described.

Towne, Charles E.↗

NASA NTRS1993

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 3: Programmer's reference

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. The Programmer's Reference contains detailed information useful when modifying the program. The program structure, the Fortran variables stored in common blocks, and the details of each subprogram are described.

Towne, Charles E.↗

DOE OSTI2026

Hyporheic‐Zone Processes and Stream Oxygen Dynamics: Insights From a Multiscale Reactive Transport Model

Aquatic ecosystem metabolism encapsulates the daily fixation (gross primary production, GPP d ) and mineralization (ecosystem respiration, ER d ) of organic carbon. In fluvial systems, these are commonly estimated by inverse solutions to field observations using a model that describes oxygen concentrations varying in the water column in response to metabolic fluxes and air‐water gas exchange controlled by a rate coefficient (K 600 ). The most common conceptual model is the single‐station metabolism (SSM) model. The simplicity and flexibility of this conceptualization make it attractive; however, it implicitly assumes that all the processes that consume oxygen in fluvial systems can be lumped into a bulk estimate of respiration with poorly understood consequences for estimates of GPP d , ER d , and K 600 . Here, we focus on the implications of using SSM conceptualization when estimating metabolic fluxes from oxygen dynamics in channels where hyporheic exchange occurs. We use a new multiscale numerical model for reactive transport in streams that represents hyporheic exchange and streambed heterotrophic respiration. Nondimensionalization of this model reveals dimensionless groups that collectively control oxygen dynamics. Numerical experiments offer a mechanistic understanding of the impacts of hyporheic exchange on diel oxygen dynamics revealing that potential biases arise from neglecting mass transfer limitations. Specifically, we found that hyporheic exchange significantly affects diel oxygen dynamics, even for nonreactive streambed sediments. Moreover, while the SSM performs well in many situations, we find conditions where significant bias is produced by hyporheic exchange, even when oxygen data are well‐fitted. These situations pose a major challenge in the interpretation of metabolism assessment estimates.

Gomez‐Velez, Jesus D. [Oak Ridge National Laborato↗

NASA NTRS1990

On the dynamic and thermodynamic structures of marine stratocumulus

Latent heating effects on stratocumulus circulations were studied successfully with a nine-coefficient spectral model of two-dimensional shallow Boussinesq convection (Laufersweiler and Shirer, 1989). Further, more realistic investigations are being performed currently with a larger, 18-coefficient spectral model, in which the effects of cloud top radiational cooling and in-cloud radiational heating are also being represented. Because assuming a rigid lid at the inversion base may have affected previous results significantly, the domain top was raised to include the lower portion of the capping inversion. As in the previous model, a uniform cloud base is assumed and latent heating effects are included implicitly such that the motions in the sub- and above-cloud regions are dry adiabatic and the motions in the cloud region are moist adiabatic. The effects of forcing by radiational heating profiles that are tied to the cloud layer, such as the one used by Nicholls will be investigated, as will profiles measured during the FIRE experiment. One concern of using truncated spectral models is that the phenomena are so poorly represented that they can change dramatically as the number of spectral coefficients is increased. The efficacy of the nine-coefficient model results is checked by examining the steady state solutions of the 18-coefficient model for parameter values used by Laufersweiler and Shirer (1989), which corresponds to the case of a moderately deep cloud and no capping inversion. The horizontally asymmetric circulation patterns that have narrow downdraft areas and broad updraft areas are virtually the same as those found in the smaller spectral model. Also captured in the case of weaker heating is an elevated circulation centered at cloud base. Thus, the results of the smaller model are substantiated. Since one of the goals of studying the new model is to represent a more realistic domain, the second test of the model is to investigate whether the steady solutions are suppressed in the case of an inversion with no cloud.

Laufersweiler, Mark J.↗

DOE OSTI2026

Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials

Accurate molecular property predictions require 3D geometries, which are typically obtained using expensive methods such as density functional theory (DFT). Here, we attempt to obtain molecular geometries by relying solely on machine learning interatomic potential (MLIP) models. To this end, we first curate a large-scale molecular relaxation dataset comprising 3.5 million molecules and 300 million snapshots. Then MLIP pre-trained models are trained with supervised learning to predict energy and forces given 3D molecular structures. Once trained, we show that the pre-trained models can be used in different ways to obtain geometries either explicitly or implicitly. First, it can be used to obtain approximate low-energy 3D geometries via geometry optimization. While these geometries do not consistently reach DFT-level chemical accuracy or convergence, they can still improve downstream performance compared to non-relaxed structures. To mitigate potential biases and enhance downstream predictions, we introduce geometry fine-tuning based on the relaxed 3D geometries. Second, the pre-trained models can be directly fine-tuned for property prediction when ground truth 3D geometries are available. Our results demonstrate that MLIP pre-trained models trained on relaxation data can learn transferable molecular representations to improve downstream molecular property prediction and can provide practically valuable but approximate molecular geometries that benefit property predictions. Our code is publicly available at: https://github.com/divelab/AIRS/.

Fu, Cong [Texas A & M Univ., College Station, TX (↗

DOE OSTI2020

Multiscale model predictive control of battery systems for frequency regulation markets using physics-based models

In this work, we propose a multiscale model predictive control (MPC) framework for stationary battery systems that exploits high-fidelity models to trade-off short-term economic incentives provided by energy and frequency regulation (FR) markets and long-term degradation effects. We find that the MPC framework can drastically reduce long-term degradation while properly responding to FR and energy market signals (compared to MPC formulations that use low-fidelity models). Our results also provide evidence that sophisticated battery models can be embedded within closed-loop MPC simulations by using modern nonlinear programming solvers (we provide an efficient and easy-to-use implementation in Julia). We use insights obtained with our simulations to design a low-complexity MPC formulation that matches the behavior obtained with high-fidelity models. This is done by designing a suitable terminal penalty term that implicitly captures long-term degradation. The results suggest that complex degradation behavior can be accounted for in low-complexity MPC formulations by properly designing the cost function. We believe that our proof-of-concept results can be of industrial relevance, as battery vendors are seeking to participate in fast-changing electricity markets while maintaining asset integrity.

42 ENGINEERING↗

DOE OSTI2025

Lens Modeling of STRIDES Strongly Lensed Quasars Using Neural Posterior Estimation

Strongly lensed quasars can be used to constrain cosmological parameters through time-delay cosmography. Models of the lens masses are a necessary component of this analysis. To enable time-delay cosmography from a sample of $\mathcal{O}(10^3)$ lenses, which will soon become available from surveys like the Rubin Observatory’s Legacy Survey of Space and Time and the Euclid Wide Survey, we require fast and standardizable modeling techniques. To address this need, we apply neural posterior estimation (NPE) for modeling galaxy-scale strongly lensed quasars from the Strong Lensing Insights into the Dark Energy Survey (STRIDES) sample. NPE brings two advantages: speed and the ability to implicitly marginalize over nuisance parameters. We extend this method by employing sequential NPE to increase precision of mass model posteriors. We then fold individual lens models into a hierarchical Bayesian inference to recover the population distribution of lens mass parameters, accounting for out-of-distribution shift. After verifying our method using simulated analogs of the STRIDES lens sample, we apply our method to 14 Hubble Space Telescope single-filter observations. We find the population mean of the power-law elliptical mass distribution slope, γ lens , to be $\mathcal{M}_γ$ lens = 2.13 ± 0.06. Our result represents the first population-level constraint for these systems. This population-level inference from fully automated modeling is an important stepping stone toward cosmological inference with large samples of strongly lensed quasars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Photon calibration techniques for high resolution cryogenic detectors

Monoenergetic photons from a pulsed laser diode or LED are commonly used to calibrate the detector response of high-resolution calorimetric detectors. However, when the detector’s resolution is larger than the energy of a single photon, a calibration is normally derived using Poisson statistics. In this paper, we clarify the assumptions implicit in this calibration method, before considering how a more realistic model of a detector’s performance will violate these assumptions, biasing the calibration. Lastly, we judge the individual impact of specific detector parameters on our calibration, and conclude with discussion of both the limits of our calculations and the implications for state-of-the art detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1972

Ephemeris of a highly eccentric orbit - Explorer 28.

An ephemeris has been obtained for Explorer 28 (IMP 3) which agrees well with 2 years of radio observations and with SAO observations a year later. This ephemeris is generated over the 3 year lifetime by a numerical integration method utilizing a set of initial conditions at launch and without requiring further differential correction. Because highly eccentric orbits are difficult to compute with acceptable accuracy and because a long continuous arc has been obtained which compares with actual data to a known precision, this ephemeris may be used as a standard for computing highly eccentric orbits in the earth-moon system. Orbit improvement was used to obtain the initial conditions which generated the ephemeris. This improvement was based on correcting the energy by adjusting the semimajor axis to match computed times of perigee passage with the observed. This procedure may generate errors in semimajor axis to compensate for model errors in the energy; however, this compensation error is also implicit in orbit determination itself.

Lowrey, B. E.↗

NASA NTRS1975

Nonlinear seismic analysis of a reactor structure impact between core components

The seismic analysis of the FFTF-PIOTA (Fast Flux Test Facility-Postirradiation Open Test Assembly), subjected to a horizontal DBE (Design Base Earthquake) is presented. The PIOTA is the first in a set of open test assemblies to be designed for the FFTF. Employing the direct method of transient analysis, the governing differential equations describing the motion of the system are set up directly and are implicitly integrated numerically in time. A simple lumped-nass beam model of the FFTF which includes small clearances between core components is used as a "driver" for a fine mesh model of the PIOTA. The nonlinear forces due to the impact of the core components and their effect on the PIOTA are computed.

Hill, R. G.↗

NASA NTRS1977

A dual-loop model of the human controller

A representative model of the human controller in single-axis compensatory tracking tasks that exhibits an internal feedback loop which is not evident in single-loop models now in common use is presented. This hypothetical inner-loop involves a neuromuscular command signal derived from the time rate of change of controlled element output which is due to control activity. It is not contended that the single-loop human controller models now in use are incorrect, but that they contain an implicit but important internal loop closure, which, if explicitly considered, can account for a good deal of the adaptive nature of the human controller in a systematic manner.

Hess, R. A.↗

NASA NTRS1978

An efficient explicit-implicit-characteristic method for solving the compressible Navier-Stokes equations

Explicit, implicit, and characteristic finite-difference methods are applied to solve model equations representative of the compressible Navier-Stokes equations. An approach is then formulated for solving the Navier-Stokes equation at high Reynolds numbers. The approach has drastically reduced the computation time required to obtain viscous flow solutions. Computational results for shock wave separated flows are presented.

Maccormack, R. W.↗

NASA NTRS1983

Prediction of high speed propeller flow fields using a three-dimensional Euler analysis

To overcome the limitations of classical propeller theory, a computer program, NASPROP-E, was developed which solves for the flow field surrounding a multibladed propeller and axisymmetric nacelle combination using a finite difference method. The governing equations are the three dimensional unsteady Euler equations written in a cylindrical coordinate system. They are marched in time until a steady state solution is obtained. The Euler equations require no special treatment to model the blade work vorticity. The equations are solved using an implicit approximate factorization method. Numerical results are presented which have greatly increased the understanding of high speed propeller flow fields. Numerical results for swirl angle downstream of the propeller and propeller power coefficient are higher than experimental results. The radial variation of coefficient are higher than experimental results. The radial variation of swirl angle, however, is in reasonable agreement with the experimental results. The predicted variation of power coefficient with blade angle agrees very well with data.

Bober, L. J.↗

NASA NTRS1985

On the Solution of the Three-Dimensional Flowfield About a Flow-Through Nacelle

The solution of the three dimensional flow field for a flow through nacelle was studied. Both inviscid and viscous inviscid interacting solutions were examined. Inviscid solutions were obtained with two different computational procedures for solving the three dimensional Euler equations. The first procedure employs an alternating direction implicit numerical algorithm, and required the development of a complete computational model for the nacelle problem. The second computational technique employs a fourth order Runge-Kutta numerical algorithm which was modified to fit the nacelle problem. Viscous effects on the flow field were evaluated with a viscous inviscid interacting computational model. This model was constructed by coupling the explicit Euler solution procedure with a flag entrainment boundary layer solution procedure in a global iteration scheme. The computational techniques were used to compute the flow field for a long duct turbofan engine nacelle at free stream Mach numbers of 0.80 and 0.94 and angles of attack of 0 and 4 deg.

Compton, William Bernard↗

NASA NTRS1988

A 3D-PNS computer code for the calculation of supersonic combusting flows

A computer code has been developed based on the three-dimensional parabolized Navier-Stokes (PNS) equations which govern the supersonic combusting flow of the hydrogen-air system. The finite difference algorithm employed was a hybrid of the Schiff-Steger algorithm and the Vigneron, et al., algorithm which is fully implicit and fully coupled. The combustion of hydrogen and air was modeled by the finite-rate two-step combustion model of Rogers-Chinitz. A new dependent variable vector was introduced to simplify the numerical algorithm. Robustness of the algorithm was considerably enhanced by introducing an adjustable parameter. The computer code was used to solve a premixed shock-induced combustion problem and the results were compared with those of a full Navier-Stokes code. Reasonably good agreement was obtained at a fraction of the cost of the full Navier-Stokes procedure.

Chitsomboon, Tawit↗

NASA NTRS1988

Navier-Stokes calculations of scramjet-afterbody flowfields

Scramjet simulant-gas exhaust flows are computed using two-dimensional Navier-Stokes (NS) equations. The NS equations are solved using an implicit, upwind, finite-volume scheme, and the Reynolds stresses are modeled algebraically. The solutions are compared with experimental data where the freestream and the nozzle exhaust fluids are air. The NS equations for the flow, where the scramjet exhaust simulant gas is a mixture of Freon-12 and argon, are solved by an explicit, finite difference scheme. The results are compared with experimental data, and certain discrepancies are explained.

Baysal, O.↗

NASA NTRS1991

Combustion of liquid fuel droplets in supercritical conditions

A comprehensive analysis of liquid-fuel droplet combustion in both sub- and super-critical environments has been conducted. The formulation is based on the complete conservation equations for both gas and liquid phases, and accommodates finite-rate chemical kinetics and a full treatment of liquid-vapor phase equilibrium at the droplet surface. The governing equations and the associated interface boundary conditions are solved numerically using a fully coupled, implicit scheme with the dual time-stepping integration technique. The model is capable of treating the entire droplet history, including the transition from the subcritical to the supercritical state. As a specific example, the combustion of n-pentane fuel droplets in air is studied for pressures of 5-140 atm. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influences on the fluid transport, gas/liquid interface thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibits a significant variation near the critical burning pressure, mainly as a result of reduced mass-diffusion rate and latent heat of vaporization with increased pressure. The influence of droplet size on the burning characteristics is also noted.

Shuen, J. S.↗

NASA NTRS1991

Vaporization and combustion of fuel droplets at supercritical conditions

Vaporization and combustion liquid-fuel droplets in both sub- and super-critical environments have been examined. The formulation is based on the complete conservation equations for both gas and liquid phases, and accommodates finite-rate chemical kinetics and a full treatment of liquid-vapor phase equilibrium at the droplet surface. The governing equations and the associated interface boundary conditions are solved numerically using a fully coupled, implicit scheme with the dual time-stepping integration technique. The model is capable of treating the entire droplet history, including the transition from the subcritical to the supercritical state. As a specific example, the combustion of n-pentane fuel droplets in air is studied for pressures of 5-140 atm. In addition, the dynamic responses of droplet vaporization and combustion to ambient-pressure oscillations are investigated. Results indicate that the droplet gasification and burning mechanisms depend greatly on the ambient pressure. In particular, a rapid enlargement of the vaporization and combustion responses occurs when the droplet surface reaches its critical point, mainly due to the strong variations of latent heat of vaporization and thermophysical properties at the critical state.

Yang, Vigor↗