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Results for “Coupled process 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.

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At least 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

cDF Theory Software for mesoscopic modeling of equilibrium and transport phenomena

The approach is based on classical Density Functional Theory (cDFT) coupled with the Poisson-Nernst-Planck (PNP) transport kinetics model and quantum mechanical description of short-range interaction and elementary transport processes. The model we proposed and implemented is fully atomistic, taking into account pairwise short-range and manybody long-range interactions. But in contrast to standard molecular dynamics (MD) simulations, where long-range manybody interactions are evaluated as a sum of pair-wise atom-atom contributions, we include them analytically based on well-established theories of electrostatic and excluded volume interactions in multicomponent systems. This feature of the PNP/cDFT approach allows us to reach well beyond the length-scales accessible to MD simulations, while retaining the essential physics of interatomic interactions from first principles and in a parameter-free fashion.

Sushko, Maria↗
DOE OSTI2012

Modular Energy Storage System for Alternative Energy Vehicles

An electrical vehicle environment was established to promote research and technology development in the area of high power energy management. The project incorporates a topology that permits parallel development of an alternative energy delivery system and an energy storage system. The objective of the project is to develop technologies, specifically power electronics, energy storage electronics and controls that provide efficient and effective energy management between electrically powered devices in alternative energy vehicles plugin electric vehicles, hybrid vehicles, range extended vehicles, and hydrogen-based fuel cell vehicles. In order to meet the project objectives, the Vehicle Energy Management System (VEMS) was defined and subsystem requirements were obtained. Afterwards, power electronics, energy storage electronics and controls were designed. Finally, these subsystems were built, tested individually, and integrated into an electric vehicle system to evaluate and optimize the subsystems performance. Phase 1 of the program established the fundamental test bed to support development of an electrical environment ideal for fuel cell application and the mitigation of many shortcomings of current fuel cell technology. Phase 2, continued development from Phase 1, focusing on implementing subsystem requirements, design and construction of the energy management subsystem, and the integration of this subsystem into the surrogate electric vehicle. Phase 2 also required the development of an Alternative Energy System (AES) capable of emulating electrical characteristics of fuel cells, battery, gen set, etc. Under the scope of the project, a boost converter that couples the alternate energy delivery system to the energy storage system was developed, constructed and tested. Modeling tools were utilized during the design process to optimize both component and system design. This model driven design process enabled an iterative process to track and evaluate the impact of design alternatives and the impact of changes. Refinement of models was accomplished through correlation studies to measured data obtained from functioning hardware. Specifically, correlation and characterization of the boost converter resulted in a model that was effectively used to determine overall VEMS performance. The successful development of the boost converter can be attributed to utilization of previously proven technologies and adapting to meet the VEMS requirements. This program provided significant improvement in development time of various generations of boost converters. The software strategies and testing results support the development of current energy management systems and directly contribute to the future of similar, commercial products at Magna E-Car Systems. Because of this development project, Magna E-Car Systems is able to offer automotive customers a boost converter system with reduced time to market and decreased product cost, thus transferring the cost and timing benefits to the end use consumer.

25 ENERGY STORAGE↗
DOE OSTI2015

Simulator for an Accelerator-Driven Subcritical Fissile Solution System

LANL has developed a process to generate a progressive family of system models for a fissile solution system. This family includes a dynamic system simulation comprised of coupled nonlinear differential equations describing the time evolution of the system. Neutron kinetics, radiolytic gas generation and transport, and core thermal hydraulics are included in the DSS. Extensions to explicit operation of cooling loops and radiolytic gas handling are embedded in these systems as is a stability model. The DSS may then be converted to an implementation in Visual Studio to provide a design team the ability to rapidly estimate system performance impacts from a variety of design decisions. This provides a method to assist in optimization of the system design. Once design has been generated in some detail the C++ version of the system model may then be implemented in a LabVIEW user interface to evaluate operator controls and instrumentation and operator recognition and response to off-normal events. Taken as a set of system models the DSS, Visual Studio, and LabVIEW progression provides a comprehensive set of design support tools.

42 ENGINEERING↗
DOE OSTI2019

HEDP Workshop Summary: High-Intensity Laser Plasma (HILP) group.

Advances in HEDP research and limitations in currently established theories and models challenge us to better understand how high-intensity (>10 14 W/cm 2 ) laser light couples to plasmas. Considering both energy transfer processes and the resulting particle-beam and radiation generation, we find one overarching question: How do we understand, predict, and control laser-plasma interactions and laser-driven particle beams?

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Extending SST vanadis to Add SIMT Functional Units

Sandia National Laboratories is currently investigating scalable architectural simulation capabilities, with a focus on simulating and evaluating highly scalable supercomputers for high-performance computing applications. This exploration is driven by the shift toward more specialized forms of compute and the need for a more diverse set of accurate models. This project will explore the use of General-Purpose Graphical Processing Units (GPGPUs) in high-performance computing using both physical systems and new simulator models – traditional GPUs as well as tightly-coupled SIMT accelerators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

CompLaB v1.0: a scalable pore-scale model for flow, biogeochemistry, microbial metabolism, and biofilm dynamics

Abstract. Microbial activity and chemical reactions in porous media depend on the local conditions at the pore scale and can involve complex feedback with fluid flow and mass transport. We present a modeling framework that quantitatively accounts for the interactions between the bio(geo)chemical and physical processes and that can integrate genome-scale microbial metabolic information into a dynamically changing, spatially explicit representation of environmental conditions. The model couples a lattice Boltzmann implementation of Navier–Stokes (flow) and advection–diffusion-reaction (mass conservation) equations. Reaction formulations can include both kinetic rate expressions and flux balance analysis, thereby integrating reactive transport modeling and systems biology. We also show that the use of surrogate models such as neural network representations of in silico cell models can speed up computations significantly, facilitating applications to complex environmental systems. Parallelization enables simulations that resolve heterogeneity at multiple scales, and a cellular automaton module provides additional capabilities to simulate biofilm dynamics. The code thus constitutes a platform suitable for a range of environmental, engineering and – potentially – medical applications, in particular ones that involve the simulation of microbial dynamics.

58 GEOSCIENCES↗
NASA NTRS1980

Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

Jachimowski, C. J.↗
NASA NTRS1984

Development of a three-phrase combustion code for modeling liquid rocket engines

A two-dimensional/axisymmetric program for the simulation of three-phase reactive flows is presented. The three phases are: a multiple-species gaseous phase, a single-species liquid phase, and a particulate droplet phase. The liquid and gaseous phases are described with continuous Eulerian equations, while the droplets are described in a discrete Lagrangian fashion. The three phases are fully coupled together. An atomization model, a multireaction chemical kinetics model, and a subgrid scale turbulence model completes the description of a general liquid/gas bipropellant combustion process. The code development criteria and qualitative features are highlighted.

Liang, P. Y.↗
NASA NTRS1989

Cosmic evolution of non-topological solitons, paper 1

Nontopological solitons are stable field configurations which may be formed in a primordial phase transition. Their cosmic evolution is studied, and the possibility that such objects could contribute significantly to the energy density of the Universe is examined. As the Universe cools, initially all but the largest lumps evaporate into free particles; those which survive may subsequently enter a brief accretion phase before they freeze out at a final size. Although the minimum critical charges which survive depend on particle masses and couplings, researchers develop an analysis which applies to a wide class of models. In most cases, solitons of moderate size survive the evaporation process only if there is a significant charge asymmetry or if they form at a temperature well below their binding energy per charge.

Frieman, Joshua A.↗
NASA NTRS1988

Heat pipe dynamic behavior

The vapor flow in a heat pipe was mathematically modeled and the equations governing the transient behavior of the core were solved numerically. The modeled vapor flow is transient, axisymmetric (or two-dimensional) compressible viscous flow in a closed chamber. The two methods of solution are described. The more promising method failed (a mixed Galerkin finite difference method) whereas a more common finite difference method was successful. Preliminary results are presented showing that multi-dimensional flows need to be treated. A model of the liquid phase of a high temperature heat pipe was developed. The model is intended to be coupled to a vapor phase model for the complete solution of the heat pipe problem. The mathematical equations are formulated consistent with physical processes while allowing a computationally efficient solution. The model simulates time dependent characteristics of concern to the liquid phase including input phase change, output heat fluxes, liquid temperatures, container temperatures, liquid velocities, and liquid pressure. Preliminary results were obtained for two heat pipe startup cases. The heat pipe studied used lithium as the working fluid and an annular wick configuration. Recommendations for implementation based on the results obtained are presented. Experimental studies were initiated using a rectangular heat pipe. Both twin beam laser holography and laser Doppler anemometry were investigated. Preliminary experiments were completed and results are reported.

Issacci, F.↗
NASA NTRS2002

Ship Radar Observations of a Developing Hurricane in the East Pacific

During the recently completed East Pacific Investigation of Climate Processes in the Coupled Ocean-Atmosphere System (EPIC) field program, the NOAA research vessel Ronald H. Brown (RHB) was deployed in the east Pacific Inter Tropical Convergence Zone (ITCZ) for approximately 3 weeks near 10 deg. N, 95 deg. W. One of the principal objectives of the EPIC-ITCZ program was to observe the modulation of convection by synoptic-scale easterly waves and the air-sea coupling process in this poorly sampled region of the east Pacific. Data from the experiment will be used as validation to improve forecast models. The RHB carried a variety of platforms during EPIC to sample atmospheric and oceanic phenomena, including a scanning C-band Doppler radar, radiation flux instrumentation, air-sea flux system, Doppler lidar, 35 GHz cloud radar, UHF wind profiler, sea surface temperature (SST) sensors, as well as standard surface meteorological instrumentation and a suite of rain gauges. This presentation will focus on the analysis of C-band radar data that was collected on 10 September, 2001 as the ship passed through an easterly wave which later developed into hurricane Ivo. The ship captured approximately 12 hours of convection associated with the tropical disturbance. During this period, the domain sampled by the radar (approximately 71,000 sq km) contained a significant number of echo features. Specifically, the fraction of the domain containing radar echo above 10 dBZ reached 80% for over 2 hours and remained near 60% for a continuous six hour period. Animation of radar images showed distinct rotation in echo features associated with the easterly wave passage. Despite an approximate 4 C drop in surface air temperature and sustained winds approaching 20 m/ s, the SST remained nearly constant throughout the observation period (approx. 29.5 C). Peak values of latent and sensible heat flux exceeded 400 and 100 W /sq m, respectively. The radar documented the change in precipitation vertical structure as the ship passed through regions of significant convection with echo tops approaching 14 km and 30 dBZ echo tops extending to near 9 km embedded in regions that were predominantly stratiform in nature. Single Doppler retrievals (Extended Velocity Azimuth Display) were conducted continuously at 10-minute resolution for approximately 4 hours in the latter part of the observation period, and documented the transition from convection (low-level convergence, upper level divergence) to stratiform (mid-level convergence sandwiched between upper and lower level divergence) kinematic structure.

Cifelli, Robert↗
NASA NTRS2005

Characterization of Space Shuttle Ascent Debris Aerodynamics Using CFD Methods

An automated Computational Fluid Dynamics process for determining the aerodynamic Characteristics of debris shedding from the Space Shuttle Launch Vehicle during ascent is presented. This process uses Cartesian fully-coupled, six-degree-of-freedom simulations of isolated debris pieces in a Monte Carlo fashion to produce models for the drag and crossrange behavior over a range of debris shapes and shedding scenarios. A validation of the Cartesian methods against ballistic range data for insulating foam debris shapes at flight conditions, as well as validation of the resulting models, are both contained. These models are integrated with the existing shuttle debris transport analysis software to provide an accurate and efficient engineering tool for analyzing debris sources and their potential for damage.

Murman, Scott M.↗
NASA NTRS2018

Aerothermal Design of a Common Probe for Multiple Planetary Destinations

Estimate the mass of the Thermal Protection System (TPS) for a single design construct of an atmospheric entry probe with a rigid aeroshell, which could be used at five destinations, i.e. Venus, Saturn, Uranus, Neptune, and perhaps, Jupiter. The entry mass of the probe is 400 kg with a ballistic coefficient of 216 kg/m2. Process: The 3DoF trajectory simulation program Traj, coupled with the TPS response program FIAT was used for simulation and design. The assumed atmospheric models were VIRA (Venus-GRAM) for Venus, the Julianne Moses' model for Saturn, a NASA Ames engineering model for Uranus, Neptune-GRAM for Neptune, and Galileo Probe (Al Seiff's) result for Jupiter.

Allen, Gary A., Jr.↗
NASA NTRSDate not supplied

Characterization of Structural Vibration and Acoustic Radiation with a Beam-Array Doppler Vibrometer

This paper discusses the operational principles of an assembly of two opto-electronic modules with their configurations based on a Laser-Array Doppler Vibrometer (LADV) and a Shack-Hartmann Wavefront Sensor (SHWFS). Both sensors can operate concurrently providing complementary data. While the SHWFS is a well-established system that enables low-bandwidth spatio-temporal characterization of aerodynamic turbulence, the LADV technology allows real-time detection of structural vibrations and associated acoustic radiation fields. Practical examples are shown of the instruments’ capabilities, focusing on the ability to simultaneously capture, visualize and quantitatively characterize full-field non-stationary structural dynamics and unsteady sound fields or transient flow fields around ground test facility airframe models or other structures of interest. The parallel multi-channel architecture of the LADV system enables synchronous detection and temporal correlation of indicators related to the spatio-temporal vibration of the structure under inspection. This unique feature is essential for real time detection and categorization of the structural and acoustic dynamics of transient events. For the present study, the LADV data have been successfully compared with measurements obtained with the SHWFS in the wake of a subsonic scale-model airfoil. The ability of the LADV-SHWFS coupled measurements to perform real time non-intrusive evaluation and characterization of dynamic processes at operationally relevant bandwidths should provide a deeper insight into the complex structural dynamics that contribute to radiated sound fields.

Vladimir B Markov↗
NASA NTRS2024

Meteorology Modulates the Impact of GCM Horizontal Resolution on Underestimation of Midlatitude Ocean Wind Speeds

We utilize ocean 10-m wind speed (U 10m ) from the microwave Multi-sensor Advanced Climatology data set to examine the coupling between convective cloud and precipitation processes, synoptic state, and U 10m and to evaluate the representation of U 10m in global climate models (GCMs). We find that midlatitude U 10m is underestimated by GCMs relative to observations. We examine two potential mechanisms to explain this model behavior: cold pool formation in cold air outbreaks (CAOs) associated with downdrafts that enhance U 10m and sea surface temperature (SST) gradients affecting U 10m through thermally forced surface winds at regional scales. When the effects of the CAO index (M) and SST gradients on U 10m are accounted for, a relationship between GCM horizontal resolution and U 10m appears. The strongest correlation between resolution and U 10m is over the western boundary currents characterized by frequent CAOs atop strong SST gradients which drives the strongest surface fluxes on Earth.

surface wind speed↗
DOE OSTI2020

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

The molecular dipole moment ( μ ) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly—via the ground state electron density—from high-level quantum mechanical calculations, making it an ideal target for machine learning (ML). Here, we choose to represent this quantity with a physically inspired ML model that captures two distinct physical effects: local atomic polarization is captured within the symmetry-adapted Gaussian process regression framework which assigns a (vector) dipole moment to each atom, while the movement of charge across the entire molecule is captured by assigning a partial (scalar) charge to each atom. The resulting “MuML” models are fitted together to reproduce molecular μ computed using high-level coupled-cluster theory and density functional theory (DFT) on the QM7b dataset, achieving more accurate results due to the physics-based combination of these complementary terms. The combined model shows excellent transferability when applied to a showcase dataset of larger and more complex molecules, approaching the accuracy of DFT at a small fraction of the computational cost. We also demonstrate that the uncertainty in the predictions can be estimated reliably using a calibrated committee model. The ultimate performance of the models—and the optimal weighting of their combination—depends, however, on the details of the system at hand, with the scalar model being clearly superior when describing large molecules whose dipole is almost entirely generated by charge separation. These observations point to the importance of simultaneously accounting for the local and non-local effects that contribute to μ ; furthermore, they define a challenging task to benchmark future models, particularly those aimed at the description of condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Tracking Improvement in Simulated Marine Biogeochemistry Between CMIP5 and CMIP6

The changes or updates in ocean biogeochemistry component have been mapped between CMIP5 and CMIP6 model versions, and an assessment made of how far these have led to improvements in the simulated mean state of marine biogeochemical models within the current generation of Earth system models (ESMs). The representation of marine biogeochemistry has progressed within the current generation of Earth system models. However, it remains difficult to identify which model updates are responsible for a given improvement. In addition, the full potential of marine biogeochemistry in terms of Earth system interactions and climate feedback remains poorly examined in the current generation of Earth system models. Increasing availability of ocean biogeochemical data, as well as an improved understanding of the underlying processes, allows advances in the marine biogeochemical components of the current generation of ESMs. The present study scrutinizes the extent to which marine biogeochemistry components of ESMs have progressed between the 5th and the 6th phases of the Coupled Model Intercomparison Project (CMIP).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Penetration Electric Fields and Inner Magnetosphere Dynamics: A Model and Data Comparison

The initial substorm interval to be studied has been selected to be the magnetic storm of June 4, 1991, and following. The CRRES electric and magnetic field data has been processed. We have added DMSP ion drift and energetic particle data and further refined the CRRES data for intercomparison. The DMSP data increase the frequency of monitoring of the temporal response of the penetration electric fields to every 100 min. Energy is seen to flow between the ionosphere and magnetosphere at low L values during the main phase of the magnetic storm in the form of field-aligned Poynting flux. This indicates electrodynamic coupling of the regions with Alfven waves. The first comparisons of the data with outputs of the Rice Magnetospheric Specification Model (MSM) were made. Both positive and negative correlation were seen as might be expected. Differences were especially evident in the time constants of the processes. Comparisons with the more physically self-consistent Rice Convection Model (RCM) with both electric fields and particle data are in progress to suggest physical constraints for our understanding of the phenomena.

Maynard, Nelson C.↗