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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A reduced model for the ITER divertor based on SOLPS solutions for ITER Q = 10 baseline conditions: B. A reduced model based on reversed-direction two point modeling

Edge codes such as SOLPS coupled to neutral codes such as EIRENE have become so comprehensive and sophisticated that they now constitute, in effect, 'code-experiments' that, as for actual experiments, can benefit from interpretation using simple models and conceptual frameworks, i.e. reduced models. The first task is the identification of options for the reduced model control parameters that are best suited for control of the action of the divertor, i.e. for control of target power loading and sputter–erosion, primarily. A strong correlation between the electron temperature at the divertor target, T e,t , and the neutral deuterium D 2 density at the target, n D2,t , flux-tube resolved, has recently been reported for a number of code studies including SOLPS-4.3 modeling of a set of ~50 ITER baseline cases: Q DT = 10, q 95 = 3, P SOL = 100 MW, metallic walls, and Ne seeding (Pitts et al 2019). Part A of the present study reports new results for largely the same ITER cases, confirming the strong correlation reported earlier between local values of T e,t , and (i) n D2,t , and (ii) normalized volumetric losses of power and pressure in the divertor. Strong correlations have now also been found, and are reported here for the first time, between T e,t and all of the divertor target quantities of practical interest. A physical explanation for this surprising result has not as yet been fully identified; nevertheless it has encouraging implications for reduced modeling of the ITER divertor. For such ITER conditions, (i) the global Ne injection rate, Inj Ne (Ne s –1 ), and (ii) the electron temperature at the location on the target where the peak power deposition occurs, T e,t @q ⊥,pk (eV), are found to be promising reduced model control parameters. In this part B, a reduced model for the ITER divertor is developed and described in detail, based on reversed-direction two point modeling, Rev2PM. The input to the reduced model is a value of the variable pair (T e,t @q ⊥,pk , Inj Ne )for a chosen case and the output are values of the various target as well as divertor-entrance quantities of practical interest, e.g. q ⊥,pk , the electron density at the X-point, n e,Xpt , etc. The reduced model was quantitatively characterized using one half of the code cases; it was then used to successfully predict (replicate) the code values of e.g. n e,Xpt for the other half.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Pairwise-interaction extended point-particle model for particle-laden flows

In this work we consider the pairwise interaction extended point-particle (PIEP) model for Euler–Lagrange simulations of particle-laden flows. By accounting for the precise location of neighbors the PIEP model goes beyond local particle volume fraction, and distinguishes the influence of upstream, downstream and laterally located neighbors. The two main ingredients of the PIEP model are (i) the undisturbed flow at any particle is evaluated as a superposition of the macroscale flow and a microscale flow that is approximated as a pairwise superposition of perturbation fields induced by each of the neighboring particles, and (ii) the forces and torque on the particle are then calculated from the undisturbed flow using the Faxén form of the force relation. The computational efficiency of the standard Euler–Lagrange approach is retained, since the microscale perturbation fields induced by a neighbor are pre-computed and stored as PIEP maps. Here we extend the PIEP force model of Akiki et al. with a corresponding torque model to systematically include the effect of perturbation fields induced by the neighbors in evaluating the net torque. Also, we use DNS results from a uniform flow over two stationary spheres to further improve the PIEP force and torque models. We then test the PIEP model in three different sedimentation problems and compare the results against corresponding DNS to assess the accuracy of the PIEP model and improvement over the standard point-particle approach. In the case of two sedimenting spheres in a quiescent ambient the PIEP model is shown to capture the drafting-kissing-tumbling process. In cases of 5 and 80 sedimenting spheres a good agreement is obtained between the PIEP simulation and the DNS. For all three simulations, the DEM-PIEP was able to recreate, to a good extent, the results from the DNS, while requiring only a negligible fraction of the numerical resources required by the fully-resolved DNS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Test Results of the CERN HL-LHC low- Quadrupole Short Models MQXFS3c and MQXFS4

For the High Luminosity Upgrade of the CERN Large Hadron Collider, lower * quadrupole magnets based on advanced Nb3Sn conductors will be installed on each side of the ATLAS and CMS experiment insertion zones. As part of the technological developments needed to achieve the required field gradient of 132.6 T/m within a 150-mm aperture, short length model magnets, named MQXFS, are tested both at the CERN SM18 and FERMI Lab test facilities. The model magnets rely on two types of Nb3Sn conductors (RRP and PIT) and on an innovative bladders and keys design to provide mechanical support against the Lorentz forces. In 2016 and 2017, the powering tests of the first two models MQXFS3 (RRP) and MQXFS5 (PIT) proved that nominal performance (16.5 kA) could be reached with excellent memory of the quench current after thermal cycle. However both magnets showed a slow training behavior with clear observations of voltage disturbances before the quench. Besides MQXFS5 only could reach ultimate current (17.9 kA) whereas erratic behavior was observed on MQXFS3 due to conductor local degradation at the head of one of the coil. In 2018, this limiting coil was changed and the applied azimuthal pre-stress increased. If ultimate current could then be reached, no stable current could be maintained due to identified defect on the outer layer of the new coil. Finally the outcome of the test of the new model MQXFS4, featuring the final RRP conductors that will be used for the series production and variation on the inner layer quench heater designs are here reported in details.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Model reduction for hypersonic aerodynamics via conservative LSPG projection and hyper-reduction

High-speed aerospace engineering applications rely heavily on computational fluid dynamics (CFD) models for design and analysis due to the expense and difficulty of flight tests and experiments. This reliance on CFD models necessitates performing accurate and reliable uncertainty quantification (UQ) of the CFD models. However, it is very computationally expensive to run CFD for hypersonic flows due to the fine grid resolution required to capture the strong shocks and large gradients that are typically present. Furthermore, UQ approaches are “many-query” problems requiring many runs with a wide range of input parameters. One way to enable computationally expensive models to be used in such many-query problems is to employ projection-based reduced-order models (ROMs) in lieu of the (high-fidelity) full-order model. In particular, the least-squares Petrov–Galerkin (LSPG) ROM (equipped with hyper-reduction) has demonstrated the ability to significantly reduce simulation costs while retaining high levels of accuracy on a range of problems including subsonic CFD applications. This allows computationally inexpensive LSPG ROM simulations to replace the full-order model simulations in UQ studies, which makes this many-query task tractable, even for large-scale CFD models. This work presents the first application of LSPG to a hypersonic CFD application. In particular, we present results for LSPG ROMs of the HIFiRE-1 in a three-dimensional, turbulent Mach 7.1 flow, showcasing the ability of the ROM to significantly reduce computational costs while maintaining high levels of accuracy in computed quantities of interest.

Fluid Dynamics↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Model-to-model interface for multiscale materials modeling

A low-level model-to-model interface is presented that will enable independent models to be linked into an integrated system of models. The interface is based on a standard set of functions that contain appropriate export and import schemas that enable models to be linked with no changes to the models themselves. These ideas are presented in the context of a specific multiscale material problem that couples atomistic-based molecular dynamics calculations to continuum calculations of fluid ow. These simulations will be used to examine the influence of interactions of the fluid with an adjacent solid on the fluid ow. The interface will also be examined by adding it to an already existing modeling code, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and comparing it with our own molecular dynamics code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

The DOE E3SM Model Version 2: Overview of the Physical Model and Initial Model Evaluation

Abstract This work documents version two of the Department of Energy's Energy Exascale Earth System Model (E3SM). E3SMv2 is a significant evolution from its predecessor E3SMv1, resulting in a model that is nearly twice as fast and with a simulated climate that is improved in many metrics. We describe the physical climate model in its lower horizontal resolution configuration consisting of 110 km atmosphere, 165 km land, 0.5° river routing model, and an ocean and sea ice with mesh spacing varying between 60 km in the mid‐latitudes and 30 km at the equator and poles. The model performance is evaluated with Coupled Model Intercomparison Project Phase 6 Diagnosis, Evaluation, and Characterization of Klima simulations augmented with historical simulations as well as simulations to evaluate impacts of different forcing agents. The simulated climate has many realistic features of the climate system, with notable improvements in clouds and precipitation compared to E3SMv1. E3SMv1 suffered from an excessively high equilibrium climate sensitivity (ECS) of 5.3 K. In E3SMv2, ECS is reduced to 4.0 K which is now within the plausible range based on a recent World Climate Research Program assessment. However, a number of important biases remain including a weak Atlantic Meridional Overturning Circulation, deficiencies in the characteristics and spectral distribution of tropical atmospheric variability, and a significant underestimation of the observed warming in the second half of the historical period. An analysis of single‐forcing simulations indicates that correcting the historical temperature bias would require a substantial reduction in the magnitude of the aerosol‐related forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Final Report: Modeling coupled ice sheet-ocean interactions in the Model for Prediction Across Scales (MPAS) and in DOE Earth System Models

Ice sheet-ocean interactions are involved in a potential climate tipping point in the climate system. Weakening of dynamical ocean barriers that currently hold warmer waters off the Antarctic continental shelf could lead to warming under Antarctica’s largest ice shelves, causing as much as a hundredfold increase in sub-ice-shelf melting. Increased ice-sheet melting could trigger dynamical instabilities in the ice sheet itself if sufficient buttressing from ice shelves is lost. This project developed and tested several modeling capabilities needed to investigate these phenomena. In collaboration with a number of international groups, notably the climate modeling group at Los Alamos National Laboratory (LANL), the following capabilities were added to the Energy Exascale Earth System Model (E3SM) and its ocean component (the Model for Prediction Across Scales Ocean, MPAS-Ocean): 1) a new vertical coordinate appropriate for ice-shelf cavities; 2) an initialization procedure appropriate for damping waves from imbalances in ocean pressure and that of the overlying ice shelf; 3) A suite of idealized test cases related to ice shelf-ocean interactions; 4) A set of diagnostics for tracking freshwater fluxes and heat budgets from ice-shelf melting; 5) infrastructure for computing ice sheet-ocean fluxes in the E3SM coupler; and 6) A set of analysis and visualization tools for E3SM ocean and sea-ice validation with a particular focus on Antarctic and Southern Ocean climate. Additionally, the project included participation and leadership in a number of international model intercomparison projects (MIPs). Most notably, the PI was a co-chair of the Marine Ice Sheet-Ocean Model Intercomparison Project (MISOMIP), designing the experiment, coordinating participation in the MIP and performing the bulk of the analysis. Although the project was cut short when the PI accepted a staff scientist position at LANL, the project played a role in seven publications and has segued smoothly into ongoing Department of Energy projects in the “ecosystem” surrounding E3SM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Hierarchical calibration and validation for modeling bench-scale solvent-based carbon capture. Part 1: Non-reactive physical mass transfer across the wetted wall column

A hierarchical model calibration and validation are proposed here for quantifying the confidence level of mass transfer prediction using a computational fluid dynamics (CFD) model, where the solvent-based carbon dioxide (CO 2 ) capture is simulated and the predicted results are compared to the corresponding bench-scale experimental data. Two unit problems with an increasing level of complexity are proposed to break down the complex physical/chemical processes of solvent-based CO 2 capture into relatively simpler problems to separate the effects of physical transport and chemical reaction. This paper focuses on the calibration and validation of the first unit problem, i.e., the CO 2 mass transfer across a falling ethanolamine (MEA) film in the absence of chemical reaction. This problem is investigated both experimentally and numerically using non-reactive nitrous oxide (N 2 O) as a surrogate for CO 2 . To capture motion of the gas-liquid interface, a volume of fluid method is employed with a one-fluid formulation to compute the mass transfer between the two phases. Parallel bench-scale experiments are designed and conducted to validate and calibrate the CFD models using a general Bayesian calibration approach. Two important transport parameters, Henry's constant and gas diffusivity, are calibrated to produce the posterior distributions, which will be used as input for the second unit problem to address the chemical absorption of CO 2 across the MEA falling film, where both mass transfer and chemical reaction are involved. Finally, mass transfer coefficients predicted by CFD are also compared with those predicted by the traditional/empirical correlations under both steady and wavy falling film conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

From minimum-viable-products to full models: a step-wise development of diagnostic forward models in support of design, analysis and modelling on the ST40 tokamak

Like most magnetic confined fusion experiments, the ST40 tokamak started off with a small subset of diagnostics and gradually increased the diagnostic set to include more complex and comprehensive systems. To make the most of each operational phase, forward models of various diagnostics are used and developed to aid design, provide consistency-checks during commissioning, test analysis methods, and build workflows to constrain high-level parameters to inform interpretation, theory and modelling. For new models and new analysis workflows, minimum-viable-products are released early, and their complexity is increased in a step-wise manner, facilitating the support of all programme phases on multiple parallel applications, while enabling learning opportunities and feedback loops. In this contribution we review the philosophy, scope and architecture of the framework under development. We discuss the details of some forward models, with examples on how they are used to aid diagnostic design, to investigate analysis methodologies through synthetic data, and how they are embedded in experimental analysis workflows. We compare previously published experimental results with new, more advanced analysis workflows employing more recent, detailed models and new diagnostic data, providing confirmation of the published material from the 2021–22 experimental campaign.

integrated data analysis↗
DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-dominated Watersheds using a Fully Distributed Integrated Hydrology Model: Datasets, code, models files

This model-data archive is for a modeling study focused on the effects of artificial drainage on agriculture-dominated watersheds using a fully distributed integrated hydrology model. This study introduced a novel strategy to represent the effects of tile drains and agricultural ditches in a fully distributed basin-scale integrated hydrology model. The numerical experiments in this study reveal the effects of surface and subsurface drainage on various hydrological states and fluxes. The details about the datasets can be found in the "readme" document attached with the dataset.

Agricultural Watersheds↗