Search NASA⌕ Search

SEARCH · Search NASA

Results for “model efficiency”

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.

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

At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Deep Learning-based Surrogate Model for Efficient Reservoir Simulation in Large-scale Geological Carbon Storage: Application in IBDP Dataset

This project introduces an advanced deep learning (DL)-based surrogate modeling approach to enhance the efficiency and accuracy of large-scale geological carbon storage (GCS) simulations. Using the Illinois Basin Decatur Project (IBDP) dataset as training data, the study employs a residual U-Net architecture to predict critical state variables such as pressure and CO₂ saturation, as well as CO₂ plume migration. By incorporating key geological parameters (e.g., porosity, permeability, and rock facies) and physics-informed inputs like the diffusive time of flight and time step, the DL model effectively reduces computational complexity while maintaining robust physical constraints. Compared to traditional simulators like Eclipse, the DL model achieves remarkable accuracy, with a root mean square error (RMSE) of 1.57 psi for pressure and 0.007 for saturation, and dramatically reduces computational time from hours to just 69.9 seconds for 50-step simulations. These results demonstrate the potential of innovative DL methodologies to improve the predictivity and operational efficiency of GCS simulations, providing a reliable foundation for decision-making in CCS operations. Supported by the SMART initiative, this project underscores the success of leveraging computational innovations to advance CCS technologies.

advanced deep learning↗
DOE OSTI2015

How to decide between competing efficiency droop models for GaN-based light-emitting diodes

GaN-based light-emitting diodes (LEDs) exhibit a strong efficiency droop with higher current injection, which has been mainly attributed to Auger recombination and electron leakage, respectively. Thus far, the few reports on direct measurements of these two processes do not confirm their dominating influence on the droop unambiguously. Advanced numerical simulations of experimental characteristics are shown to validate one or the other explanation by variation of uncertain material parameters. We finally demonstrate how the comparative simulation of temperature effects enables a clear distinction between both models. Contrary to common assumptions, the consistently measured efficiency reduction of blue LEDs with higher ambient temperature eliminates electron leakage as primary cause of the efficiency droop in these devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Reduced-order modeling for efficient cross section library development in high-temperature gas reactor pebble-bed depletion analysis

Accurate modeling of running-in and equilibrium conditions in pebble-bed reactors (PBRs) requires precise microscopic multigroup neutron cross sections. In Griffin, deterministic neutronics calculations rely on multivariate interpolation over large cross section libraries, resulting in significant memory usage and performance bottlenecks. This work, together with a companion paper on Griffin integration, explores reduced-order models (ROMs) to replace interpolation with lightweight surrogates. Several ROM techniques are benchmarked, with deep neural networks (DNNs) demonstrating superior memory efficiency, scalability, and predictive accuracy. A total of 295 DNNs were trained to build a comprehensive isotope library, integrated into Griffin through a custom LibTorch interface for depletion analysis. Initial results demonstrate that DNN-based ROMs drastically reduce memory demands while preserving accuracy, enabling finer tabulations and additional state variables without overhead. In conclusion, the framework also supports online cross section generation and real-time DNN updates through transfer learning, improving fidelity by capturing self-shielding and evolving nuclide compositions during burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2001

Turbofan Duct Propagation Model

The CDUCT code utilizes a parabolic approximation to the convected Helmholtz equation in order to efficiently model acoustic propagation in acoustically treated, complex shaped ducts. The parabolic approximation solves one-way wave propagation with a marching method which neglects backwards reflected waves. The derivation of the parabolic approximation is presented. Several code validation cases are given. An acoustic lining design process for an example aft fan duct is discussed. It is noted that the method can efficiently model realistic three-dimension effects, acoustic lining, and flow within the computational capabilities of a typical computer workstation.

Lan, Justin H.↗
DOE OSTI2016

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

An efficient numerical model for predicting residual stress and strain in parts manufactured by laser powder bed fusion

Abstract Computational modeling of additively manufactured structures plays an increasingly important role in product design and optimization. For laser powder bed fusion processes, the accurate modeling of stress and distortion requires large amount of computational cost due to very localized heat input and evolving complex geometries. The current study takes advantage of a graphics processing unit accelerated explicit finite element analysis code and approximated heat conduction analysis to predict the macroscopic thermo-mechanical behavior in laser selective melting. Adjacent layers and tracks were lumped to reduce the number of time steps and elements in the finite element model. The effects of track and layer grouping on prediction accuracy and solution efficiency are investigated to provide a guidance for a cost-effective simulation. Thin-wall builds from Inconel alloy 625 (IN625) powders were simulated by applying the developed modeling approach to get the detailed residual stress and distortion at a computational speed 50 times higher than conventional approach. Under repeated heating and cooling cycles, a high tensile stress was produced near surfaces of a build due to a larger shrinkage on surface than that in central area. It is also shown that horizontal stresses concentrate near the root and top layers of the IN625 build. The predicted residual elastic strain distribution was validated by the experimental measurement using x-ray synchrotron diffraction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Method of Finite Averages

The Method of Finite Averages (MoFA) is a rigorous multiscale modeling methodology for efficiently modeling multi-physical phenomena in heterogeneous porous media. The code developed in this project aims to perform the numerical calculations required to formulate, implement, and verify MoFA models for Earth and Energy systems (i.e., model verification refers to performing fully-resolved simulations of the systems and comparing their results to those of the models). In general, MoFA transforms partial differential equations (PDEs) describing the fine-scale physics of a system into coupled ordinary differential equations (ODEs)---in time---that describe the coarse-scale---or "average"---physical behaviors of the system. This transformation significantly expedites system simulation, as the coarse-scale ODEs involve vastly fewer degrees of freedom than the fine-scale PDEs. The code developed under this project will allow users to 1.) generate system geometries and numerical meshes, 2.) solve the PDE and ODE systems required for MoFA model formulation and implementation, 3.) solve the PDE systems required to obtain fully-resolved simulation results for model verification, and 4.) compare and plot results (e.g., the model and fully-resolved simulation solutions, the error between the solutions, etc.).

Pietrzyk, KyleM [Lawrence Livermore National Labor↗
DOE OSTI2025

Techno-Economic Analysis of Gas-Liquid Contactors for Tritium Extraction from Lead-Lithium

To enable a sustainable fuel cycle, any deuterium-tritium fusion reactor must breed its tritium fuel onsite. Lead-lithium (PbLi), a eutectic metal, is a leading liquid breeder material for tritium generation. One challenge with PbLi blanket technology is the extraction of tritium from the molten eutectic. Three technologies are the focus of worldwide research: the vacuum permeator, the vacuum sieve tray, and the gas-liquid contactor (GLC). The present work offers a methodology for designing, sizing, optimizing, and costing a trickle-bed GLC. Here, we analyzed tritium extraction from PbLi using MELODIE experimental data by applying traditional packed bed mass transfer efficiency models along with supplementary models, like film theory. Our analysis revealed that traditional packed bed mass transfer efficiency models do not fit the MELODIE loop experimental data. Moreover, uncertainty in PbLi solubility resulted in a 325-fold increase in required gas flow rates when comparing identical packing heights. The film theory liquid mass transfer coefficient, Delt-Olujic wettability model, and Reiter tritium solubility values fit the MELODIE data best and were used both in the design and to conduct the economic analysis. Techno-economic analysis of the GLC was performed to evaluate three design sizes, all achieving a minimum extraction efficiency of 90 [%] for a total tritium extraction of 31 [kg/yr].

Fusion Fuel Cycle↗
DOE OSTI2018

Estimating returns to scale and scale efficiency for energy consuming appliances

Energy consuming appliances accounted for over 40% of the energy use and $17 billion in sales in the U.S. in 2014. Whether such amounts of money and energy were optimally combined to produce household energy services is not straightforwardly determined. The efficient allocation of capital and energy to provide an energy service has been previously approached, and solved with Data Envelopment Analysis (DEA) under constant returns to scale. That approach, however, lacks the scale dimension of the problem and may restrict the economic efficient models of an appliance available in the market when constant returns to scale does not hold. We expand on that approach to estimate returns to scale for energy using appliances. We further calculate DEA scale efficiency scores for the technically efficient models that comprise the economic efficient frontier of the energy service delivered, under different assumptions of returns to scale. We then apply this approach to evaluate dishwashers available in the market in the U.S. Our results show that (a) for the case of dishwashers scale matters, and (b) the dishwashing energy service is delivered under non-decreasing returns to scale. The results further demonstrate that this method contributes to increase consumers’ choice of appliances.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2018

Efficient Unsteady Model Estimation Using Computational and Experimental Data

Improving aircraft simulations for pilot training in loss-of-control and stalled conditions is one goal of NASA research in the System Wide Safety Program. One part of this effort is to develop appropriate generic aerodynamic models that provide representative responses in simulation for a given class of aircraft. In this part of the flight envelope nonlinear unsteady responses are often present and may require an extended aerodynamic model compared to that used in the conventional flight envelope. In this preliminary study, two objectives are addressed. First, to obtain a representative model for a NASA generic aircraft at an unsteady condition in the flight envelope and second, to evaluate the techniques involved. To meet these objectives, two different generic aircraft configurations are modeled using both experimental and analytical data. With these results, an initial assessment of the efficiency and quality of the tools and test techniques are evaluated to develop guidance for analytical and experimental approaches to unsteady modeling.

Murphy, Patrick C.↗
DOE OSTI2016

Enantioselective Syntheses of Lignin Models: An Efficient Synthesis of β‐O‐4 Dimers and Trimers by Using the Evans Chiral Auxiliary

AbstractWe describe an efficient five‐step, enantioselective synthesis of (R,R)‐ and (S,S)‐lignin dimer models possessing a β‐O‐4 linkage, by using the Evans chiral aldol reaction as a key step. Mitsunobu inversion of the (R,R)‐ or (S,S)‐isomers generates the corresponding (R,S)‐ and (S,R)‐diastereomers. We further extend this approach to the enantioselective synthesis of a lignin trimer model. These lignin models are synthesized with excellent ee (>99 %) and high overall yields. The lignin dimer models can be scaled up to provide multigram quantities that are not attainable by using previous methodologies. These lignin models will be useful in degradation studies probing the selectivity of enzymatic, microbial, and chemical processes that deconstruct lignin.

catalysis (homogeneous), catalysis (heterogeneous)↗
DOE OSTI2017

Investigation of Transmission Warming Technologies at Various Ambient Conditions

This work details two approaches for evaluating transmission warming technology: experimental dynamometer testing and development of a simplified transmission efficiency model to quantify effects under varied real world ambient and driving conditions. Two vehicles were used for this investigation: a 2013 Ford Taurus and a 2011 Ford Fusion. The Taurus included a production transmission warming system and was tested over hot and cold ambient temperatures with the transmission warming system enabled and disabled. A robot driver was used to minimize driver variability and increase repeatability. Additionally the Fusion was tested cold and with the transmission pre-heated prior to completing the test cycles. These data were used to develop a simplified thermally responsive transmission model to estimate effects of transmission warming in real world conditions. For the Taurus, the fuel consumption variability within one standard deviation was shown to be under 0.5% for eight repeat Urban Dynamometer Driving Cycles (UDDS). These results were valid with the transmission warming system active or passive. Using the transmission warming system under 22 degrees C ambient temperature, fuel consumption reduction was shown to be 1.4%. For the Fusion, pre-warming the transmission reduced fuel consumption 2.5% for an urban drive cycle at -7 degrees C ambient temperature, with 1.5% of the 2.5% gain associated with the transmission, while consumption for the US06 test was shown to be reduced by 7% with 5.5% of the 7% gain associated with the transmission. It was found that engine warming due to conduction between the pre-heated transmission and the engine resulted in the remainder of the benefit. For +22 degrees C ambient tests, the pre-heated transmission was shown to reduce fuel consumption approximately 1% on an urban cycle, while no benefit was seen for the US06 cycle. The simplified modeling results showed gains in efficiency ranging from 0-1.5% depending on the ambient temperature and drive cycle.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1993

The importance of properties in modeling

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Giamei, A. F.↗
DOE OSTI2019

Analysis and Simulation of One-Dimensional Transport Models for Lithium Symmetric Cells

The main objective of this paper is to analyze transport models for lithium symmetric cells and arrive at an efficient model and code to simulate the same. Two one-dimensional models are considered. The first model uses the dilute solution Nernst–Planck equations in conjunction with the electroneutrality assumption (EN-NP model). For binary electrolytes, an analytical solution for electrolyte concentration is derived and compared with numerical solutions by an approximate finite volume method. The second approach relaxes the electroneutrality assumption by way of Poisson’s equation for the electrostatic potential (PNP model). The computational difficulties of the PNP model are tackled using the approximate finite volume method, with demonstrated convergence characteristics even with bulk dimensions several orders of magnitude larger than the characteristic double layer size. A robust code is developed for the PNP model. The computationally efficient transport models can facilitate simulations, physical understanding, and analysis. This is illustrated by a case study in which these models are coupled with modified kinetic models, which are then parameterized with experimental voltage response data using a systems-level approach. The estimated parameters provide further insight into the electrochemical phenomena underpinning voltage transitions in symmetric cells.

25 ENERGY STORAGE↗
NASA NTRS1994

Three-Dimensional Navier-Stokes Method with Two-Equation Turbulence Models for Efficient Numerical Simulation of Hypersonic Flows

A new computational efficient 3-D compressible Reynolds-averaged implicit Navier-Stokes method with advanced two equation turbulence models for high speed flows is presented. All convective terms are modeled using an entropy satisfying higher-order Total Variation Diminishing (TVD) scheme based on implicit upwind flux-difference split approximations and arithmetic averaging procedure of primitive variables. This method combines the best features of data management and computational efficiency of space marching procedures with the generality and stability of time dependent Navier-Stokes procedures to solve flows with mixed supersonic and subsonic zones, including streamwise separated flows. Its robust stability derives from a combination of conservative implicit upwind flux-difference splitting with Roe's property U to provide accurate shock capturing capability that non-conservative schemes do not guarantee, alternating symmetric Gauss-Seidel 'method of planes' relaxation procedure coupled with a three-dimensional two-factor diagonal-dominant approximate factorization scheme, TVD flux limiters of higher-order flux differences satisfying realizability, and well-posed characteristic-based implicit boundary-point a'pproximations consistent with the local characteristics domain of dependence. The efficiency of the method is highly increased with Newton Raphson acceleration which allows convergence in essentially one forward sweep for supersonic flows. The method is verified by comparing with experiment and other Navier-Stokes methods. Here, results of adiabatic and cooled flat plate flows, compression corner flow, and 3-D hypersonic shock-wave/turbulent boundary layer interaction flows are presented. The robust 3-D method achieves a better computational efficiency of at least one order of magnitude over the CNS Navier-Stokes code. It provides cost-effective aerodynamic predictions in agreement with experiment, and the capability of predicting complex flow structures in complex geometries with good accuracy.

Bardina, J. E.↗
DOE OSTI2016

Applicability of aquifer impact models to support decisions at CO 2 sequestration sites

The National Risk Assessment Partnership has developed a suite of tools to assess and manage risk at CO 2 sequestration sites. This capability includes polynomial or look-up table based reduced-order models (ROMs) that predict the impact of CO 2 and brine leaks on overlying aquifers. The development of these computationally-efficient models and the underlying reactive transport simulations they emulate has been documented elsewhere (Carroll et al., 2014a; Carroll et al., 2014b; Dai et al., 2014 ; Keating et al., 2016). Here in this paper, we seek to demonstrate applicability of ROM-based analysis by considering what types of decisions and aquifer types would benefit from the ROM analysis. We present four hypothetical examples where applying ROMs, in ensemble mode, could support decisions during a geologic CO 2 sequestration project. These decisions pertain to site selection, site characterization, monitoring network evaluation, and health impacts. In all cases, we consider potential brine/CO 2 leak rates at the base of the aquifer to be uncertain. We show that derived probabilities provide information relevant to the decision at hand. Although the ROMs were developed using site-specific data from two aquifers (High Plains and Edwards), the models accept aquifer characteristics as variable inputs and so they may have more broad applicability. We conclude that pH and TDS predictions are the most transferable to other aquifers based on the analysis of the nine water quality metrics (pH, TDS, 4 trace metals, 3 organic compounds). Guidelines are presented for determining the aquifer types for which the ROMs should be applicable.

54 ENVIRONMENTAL SCIENCES↗