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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dynamic modeling and simulation of pressure swing adsorption processes using toPSAil

Pressure swing adsorption (PSA) has attracted significant recent interest for chemical process intensification due to its potential for high energy efficiency and amenability to small, modular designs. However, the lack of simulation tools that are readily available, transparent, and trusted, has been identified as a serious impediment to widespread adoption of PSA, as well as to further research on PSA modeling, numerical solution, optimization, and control. This paper presents a complete framework for dynamic modeling and simulation of PSA processes and its implementation in an open-source simulator called toPSAil. Further, the presentation is tutorial and includes many modeling and implementation details often overlooked in existing literature. Novel methods are presented for handling flow reversals and implementing various pressure–flow relationships, along with controlled boundary conditions. Finally, the code contains several innovations designed to improve efficiency and reduce the extensive trial-and-error tuning often required to produce a working PSA cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Accurate determination of solvation free energies of neutral organic compounds from first principles

The main goal of molecular simulation is to accurately predict experimental observables of molecular systems. Another long-standing goal is to devise models for arbitrary neutral organic molecules with little or no reliance on experimental data. While separately these goals have been met to various degrees, for an arbitrary system of molecules they have not been achieved simultaneously. For biophysical ensembles that exist at room temperature and pressure, and where the entropic contributions are on par with interaction strengths, it is the free energies that are both most important and most difficult to predict. We compute the free energies of solvation for a diverse set of neutral organic compounds using a polarizable force field fitted entirely to ab initio calculations. The mean absolute errors (MAE) of hydration, cyclohexane solvation, and corresponding partition coefficients are 0.2 kcal/mol, 0.3 kcal/mol and 0.22 log units, i.e. within chemical accuracy. The model (ARROW FF) is multipolar, polarizable, and its accompanying simulation stack includes nuclear quantum effects (NQE). The simulation tools’ computational efficiency is on a par with current state-of-the-art packages. The construction of a wide-coverage molecular modelling toolset from first principles, together with its excellent predictive ability in the liquid phase is a major advance in biomolecular simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Calculating frequency at loads in simulations of electro-mechanical transients

This paper introduces a new method for calculating frequency at an electrical load in simulations of electro-mechanical transients. The method is designed for simulation studies that require accurate models of sensors such as phasor measurement units and F-Net devices, which measure frequency at locations away from generating plants. These sensors are poised to become critical components in the control systems of electrical power grids, and therefore simulation tools that incorporate accurate models of these devices are essential. The method proposed here corrects two drawbacks of using numerically computed phase angle derivatives to approximate frequency. First, it eliminates spurious spikes in frequencies calculated at loads. Second, it eliminates instabilities induced by the simulator in studies of frequency responsive loads. The proposed method is derived from a simplified model of the generators and loads in an electrical system, but in the final analysis does not depend critically on these simplifications and is therefore applicable to more sophisticated models. The method is demonstrated with the simplified model applied to the IEEE 14 and 300 bus systems.

42 ENGINEERING↗
NASA NTRS2015

Booster Interface Loads

The interaction between shock waves and the wake shed from the forward booster/core attach hardware results in unsteady pressure fluctuations, which can lead to large buffeting loads on the vehicle. This task investigates whether computational tools can adequately predict these flows, and whether alternative booster nose shapes can reduce these loads. Results from wind tunnel tests will be used to validate the computations and provide design information for future Space Launch System (SLS) configurations. The current work combines numerical simulations with wind tunnel testing to predict buffeting loads caused by the boosters. Variations in nosecone shape, similar to the Ariane 5 design (fig. 1), are being evaluated with regard to lowering the buffet loads. The task will provide design information for the mitigation of buffet loads for SLS, along with validated simulation tools to be used to assess future SLS designs.

Gentz, Steve↗
NASA NTRS2016

Simulation of Satellite, Airborne and Terrestrial LiDAR with DART (I):Waveform Simulation with Quasi-Monte Carlo Ray Tracing

Light Detection And Ranging (LiDAR) provides unique data on the 3-D structure of atmosphere constituents and the Earth's surface. Simulating LiDAR returns for different laser technologies and Earth scenes is fundamental for evaluating and interpreting signal and noise in LiDAR data. Different types of models are capable of simulating LiDAR waveforms of Earth surfaces. Semi-empirical and geometric models can be imprecise because they rely on simplified simulations of Earth surfaces and light interaction mechanisms. On the other hand, Monte Carlo ray tracing (MCRT) models are potentially accurate but require long computational time. Here, we present a new LiDAR waveform simulation tool that is based on the introduction of a quasi-Monte Carlo ray tracing approach in the Discrete Anisotropic Radiative Transfer (DART) model. Two new approaches, the so-called "box method" and "Ray Carlo method", are implemented to provide robust and accurate simulations of LiDAR waveforms for any landscape, atmosphere and LiDAR sensor configuration (view direction, footprint size, pulse characteristics, etc.). The box method accelerates the selection of the scattering direction of a photon in the presence of scatterers with non-invertible phase function. The Ray Carlo method brings traditional ray-tracking into MCRT simulation, which makes computational time independent of LiDAR field of view (FOV) and reception solid angle. Both methods are fast enough for simulating multi-pulse acquisition. Sensitivity studies with various landscapes and atmosphere constituents are presented, and the simulated LiDAR signals compare favorably with their associated reflectance images and Laser Vegetation Imaging Sensor (LVIS) waveforms. The LiDAR module is fully integrated into DART, enabling more detailed simulations of LiDAR sensitivity to specific scene elements (e.g., atmospheric aerosols, leaf area, branches, or topography) and sensor configuration for airborne or satellite LiDAR sensors.

Gastellu-Etchegorry, Jean-Philippe↗
DOE OSTI2012

GRIZZLY

Grizzly is a simulation tool for assessing the effects of age-related degradation on systems, structures, and components of nuclear power plants. Grizzly is built on the MOOSE framework, and uses a Jacobian-free Newton Krylov method to obtain solutions to tightly coupled thermo-mechanical simulations. Grizzly runs on a wide range of hardware, from a single processor to massively parallel machines.

Spencer, Benjamin↗
DOE OSTI2011

Investigation of advanced UQ for CRUD prediction with VIPRE.

This document summarizes the results from a level 3 milestone study within the CASL VUQ effort. It demonstrates the application of 'advanced UQ,' in particular dimension-adaptive p-refinement for polynomial chaos and stochastic collocation. The study calculates statistics for several quantities of interest that are indicators for the formation of CRUD (Chalk River unidentified deposit), which can lead to CIPS (CRUD induced power shift). Stochastic expansion methods are attractive methods for uncertainty quantification due to their fast convergence properties. For smooth functions (i.e., analytic, infinitely-differentiable) in L{sup 2} (i.e., possessing finite variance), exponential convergence rates can be obtained under order refinement for integrated statistical quantities of interest such as mean, variance, and probability. Two stochastic expansion methods are of interest: nonintrusive polynomial chaos expansion (PCE), which computes coefficients for a known basis of multivariate orthogonal polynomials, and stochastic collocation (SC), which forms multivariate interpolation polynomials for known coefficients. Within the DAKOTA project, recent research in stochastic expansion methods has focused on automated polynomial order refinement ('p-refinement') of expansions to support scalability to higher dimensional random input spaces [4, 3]. By preferentially refining only in the most important dimensions of the input space, the applicability of these methods can be extended from O(10{sup 0})-O(10{sup 1}) random variables to O(10{sup 2}) and beyond, depending on the degree of anisotropy (i.e., the extent to which randominput variables have differing degrees of influence on the statistical quantities of interest (QOIs)). Thus, the purpose of this study is to investigate the application of these adaptive stochastic expansion methods to the analysis of CRUD using the VIPRE simulation tools for two different plant models of differing random dimension, anisotropy, and smoothness.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS2006

Update On the Status of the FLUKA Monte Carlo Transport Code*

The FLUKA Monte Carlo transport code is a well-known simulation tool in High Energy Physics. FLUKA is a dynamic tool in the sense that it is being continually updated and improved by the authors. We review the progress achieved since the last CHEP Conference on the physics models, some technical improvements to the code and some recent applications. From the point of view of the physics, improvements have been made with the extension of PEANUT to higher energies for p, n, pi, pbar/nbar and for nbars down to the lowest energies, the addition of the online capability to evolve radioactive products and get subsequent dose rates, upgrading of the treatment of EM interactions with the elimination of the need to separately prepare preprocessed files. A new coherent photon scattering model, an updated treatment of the photo-electric effect, an improved pair production model, new photon cross sections from the LLNL Cullen database have been implemented. In the field of nucleus-- nucleus interactions the electromagnetic dissociation of heavy ions has been added along with the extension of the interaction models for some nuclide pairs to energies below 100 MeV/A using the BME approach, as well as the development of an improved QMD model for intermediate energies. Both DPMJET 2.53 and 3 remain available along with rQMD 2.4 for heavy ion interactions above 100 MeV/A. Technical improvements include the ability to use parentheses in setting up the combinatorial geometry, the introduction of pre-processor directives in the input stream. a new random number generator with full 64 bit randomness, new routines for mathematical special functions (adapted from SLATEC). Finally, work is progressing on the deployment of a user-friendly GUI input interface as well as a CAD-like geometry creation and visualization tool. On the application front, FLUKA has been used to extensively evaluate the potential space radiation effects on astronauts for future deep space missions, the activation dose for beam target areas, dose calculations for radiation therapy as well as being adapted for use in the simulation of events in the ALICE detector at the LHC.

Ferrari, A.↗
DOE OSTI2021

Verification of induction zone models for wind farm annual energy production estimation

Fast engineering wake models are the backbone of wind farm annual energy production (AEP) estimators, whereas the addition of induction zone models in existing tools is a more recent response to rising concerns over wind farm blockage associated losses. Here, "blockage" describes the combined induction fields of all wind turbines inside a farm. Unlike the term might suggest, blockage not only reduces flow speeds, but also increases them; for instance along the outer edges of wind farms. Evaluating the overall impact on AEP of these gains and losses necessitates accurate wind farm induction models. Whilst engineering wake models are tuned to predict wind farm performance, existing induction zone models are all derived for accurately predicting the near field induction not the far field value—important for wind farm simulations. This paper presents the induction models implemented in the wind farm simulation tool PyWake, as well as results from novel analytical models and compares their far field predictions to RANS-AD simulations of different turbines. We demonstrate that when including blockage in AEP simulations, the downstream speed-ups need to be included to avoid an unrealistic bias toward AEP loss and that wake expansion significantly impacts induction at rated thrust levels.

17 WIND ENERGY↗
DOE OSTI2012

Calibration and Validation of a FAST Floating Wind Turbine Model of the DeepCwind Scaled Tension-Leg Platform: Preprint

With the intent of improving simulation tools, a 1/50th-scale floating wind turbine atop a TLP was designed based on Froude scaling by the University of Maine under the DeepCwind Consortium. This platform was extensively tested in a wave basin at MARIN to provide data to calibrate and validate a full-scale simulation model. The data gathered include measurements from static load tests andfree-decay tests, as well as a suite of tests with wind and wave forcing. A full-scale FAST model of the turbine-TLP system was created for comparison to the results of the tests. Analysis was conducted to validate FAST for modeling the dynamics of this floating system through comparison of FAST simulation results to wave tank measurements. First, a full-scale FAST model of the as-tested scaledconfiguration of the system was constructed, and this model was then calibrated through comparison to the static load, free-decay, regular wave only, and wind-only tests. Next, the calibrated FAST model was compared to the combined wind and wave tests to validate the coupled hydrodynamic and aerodynamic predictive performance. Limitations of both FAST and the data gathered from the tests arediscussed.

17 WIND ENERGY↗
DOE OSTI2022

Multi-Physics Coupled Seismic Safety Analysis of Molten-Salt Reactors

Pool-type Molten Salt Reactors (MSRs) are a promising advanced nuclear reactor concept relying on passive physical behavior to provide increased safety characteristics. The high heat capacity, high boiling point, unpressurized liquid salt contains the nuclear fuel and as it passes through the vessel achieves criticality and produces nuclear power. The salt then carries away the heat produced along with the delayed neutron precursors towards heat exchangers and primary pumps before entering the core. This forms a highly coupled multiphysics problem between neutronics and fluid flow, which makes modeling these reactors challenging. The safety/licensing case heavily relies on modeling and simulation to prove their safety, and significant effort has been expanded by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to develop the appropriate simulation tools. Their safety/licensing will require a thorough analysis of their behavior during earthquake-based transients. Earthquakes are a transient condition commonly experienced in many regions, and are safely survived by dozens of reactors every year. Nonetheless, significant conservatisms were introduced with limited predictive modeling and simulation available. The first-of-a-kind capability developed by this research will allow for engineers to analyze ranges of design-basis and beyond-design basis accident scenarios to assess the integrity of the reactor vessel and surrounding system, possibly allowing for limiting the costly conservatisms in the design. This projects uses MASTODON, Griffin, and Pronghorn in the NEAMS ecosystem to model the coupled multiphysics problem posed by an earthquake in a molten salt reactor. It marches through a number of number of coupling schemes, from uncoupled simulations to tightly two-way coupled simulations. The appropriate level of coupling for these simulations will then be determined based on the accuracy in the quantities of interest (QoI) and computational effort involved in each scheme. The QoIs chosen for this paper include the mass flow rate across the heat exchanger (for Pronghorn simulations), power output of the reactor (for Griffin simulations), and the maximum Von Mises stress (for MASTODON simulations). This summary paper reports on the current progress of this project, with 2D tightly coupled multiphysics results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Leveraging National Laboratory Assets to Address Stability Challenges due to Declining Grid Inertia Using Geographically Distributed Electrical–Thermal Co-Emulation

Due to increased penetration of low-inertia resources into the electric grid, challenges are increasing for maintaining wide-area system stability. Grid stability assessment requires a faithful representation of the multiple-physics interaction at the system level, and timescales of interaction varying in orders of magnitude, from microseconds to seconds to several minutes. Along with the simulation-based techniques, hardware-in-the-loop (HIL), controller HIL, and power HIL techniques have been developed to better understand the emergent behavior of the system with emerging technologies. US National Laboratories have played a vital role in research and development to understand the behavior of individual technologies and devices integrated to the electric grid. Each national laboratory forwards a technological and strategic initiative tied core and enabling capabilities. Due to strategic, efficiency, and economic reasons, not all the labs have assets to conduct research on all technologies concomitantly, so it becomes crucial to integrate the labs across geographies to understand the interplay of different technologies together at the system level. This approach avoids duplication of the assets at different lab facilities and helps understand the integrated system behavior of various technologies representative of actual grid conditions by connecting multiple national labs. This article talks about techniques of connecting three national laboratories to enable co-emulation of electrical–mechanical–thermal characteristics of devices and systems. Such an approach can be used to understand the dynamic and transient interaction of multi-physics in a system level, at-scale emulation using real-time simulation tools and techniques.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

Tuning the operational parameters of the first microtron stage

The Laboratorio do Acelerador Linear is building a racetrack microtron electron accelerator. It has two acceleration stages: the booster and the main microtron. The aim of this work is to optimize the operation parameters of the booster stage by means of simulation tools. The accelerator admittances were determined successfuly and the results are presented. The injection beam has been characterized previously, and the available data were used to match the transverse beam emittances of the injector to the transverse beam admittances of the booster. Preliminary results showed that the simulations have a good agreement with the working parameters.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Assessment of a Hybrid Retrofit Gas Water Heater

This project completed a modeling evaluation of a hybrid gas water heater that combines a reduced capacity tankless unit with a downsized storage tank. This product would meet a significant market need by providing a higher efficiency gas water heater solution for retrofit applications while maintaining compatibility with the 1/2 inch gas lines and standard B vents found in most homes. The TRNSYS simulation tool was used to model a base case 0.60 EF atmospheric gas storage water, a 0.82 EF non-condensing gas tankless water heater, an existing (high capacity) hybrid unit on the market, and an alternative hybrid unit with lower storage volume and reduced gas input requirements. Simulations were completed under a 'peak day' sizing scenario with 183 gpd hot water loads in a Minnesota winter climate case. Full-year simulations were then completed in three climates (ranging from Phoenix to Minneapolis) for three hot water load scenarios (36, 57, and 96 gpd). Model projections indicate that the alternative hybrid offers an average 4.5% efficiency improvement relative to the 0.60 EF gas storage unit across all scenarios modeled. The alternative hybrid water heater evaluated does show promise, but the current low cost of natural gas across much of the country and the relatively small incremental efficiency improvement poses challenges in initially building a market demand for the product.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Assessment of a Hybrid Retrofit Gas Water Heater

This project completed a modeling evaluation of a hybrid gas water heater that combines a reduced capacity tankless unit with a downsized storage tank. This product would meet a significant market need by providing a higher efficiency gas water heater solution for retrofit applications while maintaining compatibility with the 1/2 inch gas lines and standard B vents found in most homes. The TRNSYS simulation tool was used to model a base case 0.60 EF atmospheric gas storage water, a 0.82 EF non-condensing gas tankless water heater, an existing (high capacity) hybrid unit on the market, and an alternative hybrid unit with lower storage volume and reduced gas input requirements. Simulations were completed under a 'peak day' sizing scenario with 183 gpd hot water loads in a Minnesota winter climate case. Full-year simulations were then completed in three climates (ranging from Phoenix to Minneapolis) for three hot water load scenarios (36, 57, and 96 gpd). Model projections indicate that the alternative hybrid offers an average 4.5% efficiency improvement relative to the 0.60 EF gas storage unit across all scenarios modeled. The alternative hybrid water heater evaluated does show promise, but the current low cost of natural gas across much of the country and the relatively small incremental efficiency improvement poses challenges in initially building a market demand for the product.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Third-Year Report of the Atmosphere to Electrons Mesoscale-to-Microscale Coupling Project

The goal of the mesoscale-to-microscale coupling (MMC) project is to build new high-performance-computing-based multiscale wind-plant simulation tools that couple a broad range of scales to enable the optimization of wind plants to ensure the efficient, reliable production and integration of future wind-generated electricity. To meet this goal, the project seeks to create, assess, and validate state-of-the-science atmospheric simulation methodologies to incorporate important mesoscale flow characteristics into microscale wind-plant simulations.

17 WIND ENERGY↗
DOE OSTI2019

Report of the Atmosphere to Electrons Mesoscale-to-Microscale Coupling Project (FY 2018)

The goal of the Mesoscale-to-Microscale Coupling (MMC) project is to build new high-performance-computing-based multiscale wind-plant simulation tools that couple a broad range of scales to enable the optimization of wind plants to ensure the efficient, reliable production and integration of future wind-generated electricity. To meet this goal, the project seeks to create, assess, and validate state-of-the-science atmospheric simulation methodologies to incorporate important mesoscale flow characteristics into microscale wind-plant simulations.

17 WIND ENERGY↗