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DOE OSTI2025

CFD Modeling of Concentration Polarization in High-Performance Flat-Sheet Modules

Membrane-based gas separation is a promising, regeneration-free route for industrial CO₂ capture, but its performance is often limited by concentration polarization (CP). Classical 1-D models neglect CP and thus overpredict fluxes, especially for today’s high-permeance, high-selectivity membranes. Therefore, we built a 3-D CFD model that resolves local species transport, boundary-layer resistance, permeate-side effects, and pressure drop in flat-sheet modules. Using the Concentration Polarization Coefficient (CPC) and the overall Effective Membrane CP Index (EAC), the model quantifies how geometry and operating conditions shape CP intensity. Simulations show CP becomes pronounced for advanced membranes, with feed-channel height emerging as the dominant geometric lever: shrinking the gap mitigates CP but raises pressure drop, forcing a trade-off between mass-transfer enhancement and energy cost. These insights emphasize the need for CFD-level analysis in next-generation module design, where 1-D treatments can severely underestimate required membrane area and misguide scale-up.

carbon capture↗

DOE OSTI2026

TChem-atm (v2.0.0): scalable performance-portable multiphase atmospheric chemistry

We present TChem-atm, a performance-portable approach that enables efficient simulation of chemically detailed and multiphase atmospheric chemistry on modern heterogeneous computing architectures. Unlike previous efforts that rely on architecture-specific code or focus exclusively on gas-phase chemistry, TChem-atm supports fully coupled gas–aerosol systems with execution across CPUs, NVIDIA GPUs, and AMD GPUs through the Kokkos programming model. It integrates the flexible multiphase capabilities of the Community Atmospheric Model Chemistry Package (CAMP) with the high-performance kinetic routines of TChem, and includes automatic Jacobian construction with support for a range of stiff ODE solvers. In a proof-of-concept integration with the particle-resolved model PartMC, TChem-atm reproduces the existing PartMC–CAMP implementation within solver tolerances and delivers substantial GPU speedups, especially for large particle populations. Performance benchmarks reveal substantial speedups on GPU platforms, particularly for large particle populations, with consistent results across hardware backends. TChem-atm enables performance-portable execution across CPUs and GPUs, though optimal efficiency may require modest architecture-specific tuning (e.g., team and vector sizes), with up to a twofold improvement on the NVIDIA H100. It directly supports sectional and particle-resolved host models, while modal aerosol schemes require minor adaptation to provide particle-scale quantities such as representative diameters. By enabling chemically detailed, multiphase simulations with performance portability and host-model flexibility, TChem-atm facilitates the incorporation of advanced chemistry into atmospheric models.

Díaz-Ibarra, Oscar Homero [Sandia National Laborat↗

NASA NTRS1985

SSME fuel preburner phase 1/phase 2+ comparison

An analytical comparison of the predicted combustion flowfields for the Phase 1 and Phase 2+ fuel preburner configurations using an advanced CFD combustion code is currently underway at Rocketdyne. The Phase 2+ injector has a modified element design. The redesigned element provides for improved atomization through a shift in the injector element/face bleed flow split while maintaining an acceptable pressure drop. Cold-flow tests of the new design have been encouraging. As a complement to those tests, the Advanced Rocket Injector Combustor Code (ARICC) was selected to conduct a detailed combustion flowfield simulation. ARICC models two-dimensional (or axisymmetric), transient, turbulent, two-phase mixing and combustion flowfields. It is derived from a member of the Los Alamos ICEd-ALE family of codes. Unique features of ARICC include explicit representation of the coaxial LOX jet and hydrogen gas flows, distributed atomization processes, droplet breakup, and supercritical vaporation processes. Predictions of temperature and OH concentration profiles for the Phase 1 and Phase 2+ injector flowfields indicate a trend toward more uniform temperature distributions and shorter flame lengths with the Phase 2+ design.

Jensen, R. J.↗

NASA NTRS1990

Aeroacoustic effects of reduced aft tip speed at constant thrust for a model counterrotation turboprop at takeoff conditions

A model high-speed, advanced counterrotation propeller, F7/A7, was tested in the anechoic wind tunnel at simulated takeoff and approach conditions of Mach 0.2. The propeller was operated in a baseline configuration with the forward and aft rotor blade setting angles and forward and aft rotational speeds essentially equal. Two additional configurations were tested with the aft rotor at increased blade setting angles and the rotational speed reduced to achieve overall performance similar to that of the baseline configuration. Acoustic data were taken with an axially translating microphone probe that was attached to the tunnel floor. Concurrent aerodynamic data were taken to define propeller operating conditions.

Woodward, Richard P.↗

NASA NTRS1991

Candidate control design metrics for an agile fighter

Success in the fighter combat environment of the future will certainly demand increasing capability from aircraft technology. These advanced capabilities in the form of superagility and supermaneuverability will require special design techniques which translate advanced air combat maneuvering requirements into design criteria. Control design metrics can provide some of these techniques for the control designer. Thus study presents an overview of control design metrics and investigates metrics for advanced fighter agility. The objectives of various metric users, such as airframe designers and pilots, are differentiated from the objectives of the control designer. Using an advanced fighter model, metric values are documented over a portion of the flight envelope through piloted simulation. These metric values provide a baseline against which future control system improvements can be compared and against which a control design methodology can be developed. Agility is measured for axial, pitch, and roll axes. Axial metrics highlight acceleration and deceleration capabilities under different flight loads and include specific excess power measurements to characterize energy meneuverability. Pitch metrics cover both body-axis and wind-axis pitch rates and accelerations. Included in pitch metrics are nose pointing metrics which highlight displacement capability between the nose and the velocity vector. Roll metrics (or torsion metrics) focus on rotational capability about the wind axis.

Murphy, Patrick C.↗

NASA NTRS1991

Satellite B-ISDN traffic analysis

The impact of asynchronous transfer mode (ATM) traffic on the advanced satellite broadband integrated services digital network (B-ISDN) with onboard processing is reported. Simulation models were built to analyze the cell transfer performance through the statistical multiplexer at the earth station and the fast packet switch at the satellite. The effectiveness of ground ATM cell preprocessing was established, as well as the performance of several schemes for improving the down-link beam utilization when the space segment employs a fast packet switch.

Shyy, Dong-Jye↗

DOE OSTI2016

Phenomena Identification and Ranking Table (PIRT) for Fluoride High-Temperature Reactor (FHR) Neutronics

The deployment of Fluoride (salt-cooled) High Temperature Reactors (FHRs) has many potential benefits such as improved safety, improved economics, and a diversification of the energy portfolio because of its capability to supply industrial process heat. However, significant challenges remain before this class of reactors can be deployed, mostly related to its technology readiness. A recent study identified several areas in need of further development in order to advance the technology. These include the verification and validation of neutronics and thermal hydraulics modeling and simulation tools in support of design, safety analysis and licensing. The focus of this paper is to summarize the issues for verification and validation of neutronics tools. Current tools for neutronics analysis of LWRs are inadequate for the simulation of salt cooled reactors. The methodologies developed for the high temperature gas cooled reactors (HTGRs) have some relevance for FHRs because of the similarities between the two reactors such as graphite block structure, encapsulated fuel particles, and high operating temperatures. However, they are not sufficient for the accuracy desired of a code for licensing as they have a number of important differences neutronically, such as the use of liquid salt containing beryllium as a coolant and their unique fuel configuration.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Phenomena Identification and Ranking Table (PIRT) for Fluoride High-Temperature Reactor (FHR) Neutronics

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

ASPIRES: Airport Shuttle Planning and Improved Routing Event-driven Simulation

Most of the existing traffic simulation packages require significant calibration work to be able to reflect reality. To evaluate special operations including emerging technologies, a microscopic simulation that tracks detailed interactions of all the elements of the traffic systems is usually needed. This type of simulation is usually computationally demanding. This work developed an Airport Shuttle Planning and Improved Routing Event-driven Simulation (ASPIRES) package to simulate and evaluate current, potential, and future airport shuttle operations. Here, the simulation was driven by data and thus did not require much calibration effort. The discrete-event simulation nature of ASPIRES makes the simulation computationally efficient. Simulating 1 day of shuttle operations takes less than 2s. The study site of this work is the Dallas/Fort Worth International Airport in the U.S. The shuttle service that connects the five terminals of the airport and the rental car center was studied. Travel times, dwell times, and passenger arrivals were simulated using empirical distributions derived mainly from real data to capture the stochastic nature of the rental car center shuttle bus operations. Data on bus miles traveled, bus energy consumption, passenger wait times, and passengers left behind at stops were collected to study the trade-off between energy use and passenger experience. Electric bus and on-demand bus operations were also included. The simulation outputs can show passengers statistics at terminals, shuttles statistics, and charging station statistics. ASPIRES cannot be used to model a generic traffic system but is well-suited for fleet systems.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Advanced Features and Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim is an open-source tool developed in Matlab/Simulink to simulate wave energy converters. WEC-Sim has been developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) since its initial release in 2014. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. WEC-Sim functionalities are developed using Simulink blocks and Matlab functions. WEC-Sim is capabilities include simulation of different wave conditions, constraints and PTOs, body dynamics, mooring systems, among other advanced features such as nonlinear hydrodynamics, nonlinear PTOs, body-to-body interactions, etc.

hydrodynamics modeling↗

NASA NTRS1981

Experimental and analytical studies of advanced air cushion landing systems

Several concepts are developed for air cushion landing systems (ACLS) which have the potential for improving performance characteristics (roll stiffness, heave damping, and trunk flutter), and reducing fabrication cost and complexity. After an initial screening, the following five concepts were evaluated in detail: damped trunk, filled trunk, compartmented trunk, segmented trunk, and roll feedback control. The evaluation was based on tests performed on scale models. An ACLS dynamic simulation developed earlier is updated so that it can be used to predict the performance of full-scale ACLS incorporating these refinements. The simulation was validated through scale-model tests. A full-scale ACLS based on the segmented trunk concept was fabricated and installed on the NASA ACLS test vehicle, where it is used to support advanced system development. A geometrically-scaled model (one third full scale) of the NASA test vehicle was fabricated and tested. This model, evaluated by means of a series of static and dynamic tests, is used to investigate scaling relationships between reduced and full-scale models. The analytical model developed earlier is applied to simulate both the one third scale and the full scale response.

Lee, E. G. S.↗

NASA NTRS2009

NASA Tech Briefs, November 2009

Topics covered include: Cryogenic Chamber for Servo-Hydraulic Materials Testing; Apparatus Measures Thermal Conductance Through a Thin Sample from Cryogenic to Room Temperature; Rover Attitude and Pointing System Simulation Testbed; Desktop Application Program to Simulate Cargo-Air-Drop Tests; Multimodal Friction Ignition Tester; Small-Bolt Torque-Tension Tester; Integrated Spacesuit Audio System Enhances Speech Quality and Reduces Noise; Hardware Implementation of a Bilateral Subtraction Filter; Simple Optoelectronic Feedback in Microwave Oscillators; Small X-Band Oscillator Antennas; Free-Space Optical Interconnect Employing VCSEL Diodes; Discrete Fourier Transform Analysis in a Complex Vector Space; Miniature Scroll Pumps Fabricated by LIGA; Self-Assembling, Flexible, Pre-Ceramic Composite Preforms; Flight-speed Integral Image Analysis Toolkit; Work Coordination Engine; Multi-Mission Automated Task Invocation Subsystem; Autonomously Calibrating a Quadrupole Mass Spectrometer; Determining Spacecraft Reaction Wheel Friction Parameters; Composite Silica Aerogels Opacified with Titania; Multiplexed Colorimetric Solid-Phase Extraction; Detecting Airborne Mercury by Use of Polymer/Carbon Films; Lattice-Matched Semiconductor Layers on Single Crystalline Sapphire Substrate; Pressure-Energized Seal Rings to Better Withstand Flows; Rollerjaw Rock Crusher; Microwave Sterilization and Depyrogenation System; Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images; NiF2/NaF:CaF2/Ca Solid-State High-Temperature Battery Cells; Critical Coupling Between Optical Fibers and WGM Resonators; Microwave Temperature Profiler Mounted in a Standard Airborne Research Canister; Alternative Determination of Density of the Titan Atmosphere; Solar Rejection Filter for Large Telescopes; Automated CFD for Generation of Airfoil Performance Tables; Progressive Classification Using Support Vector Machines; Active Learning with Irrelevant Examples; A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis; Deployable Shroud for the International X-Ray Observatory; Improved Model of a Mercury Ring Damper; Optoelectronic pH Meter: Further Details; X-38 Advanced Sublimator; and Solar Simulator Represents the Mars Surface Solar Environment.

Source record↗

DOE OSTI2015

SU-E-T-558: Monte Carlo Photon Transport Simulations On GPU with Quadric Geometry

Purpose: Monte Carlo simulation on GPU has experienced rapid advancements over the past a few years and tremendous accelerations have been achieved. Yet existing packages were developed only in voxelized geometry. In some applications, e.g. radioactive seed modeling, simulations in more complicated geometry are needed. This abstract reports our initial efforts towards developing a quadric geometry module aiming at expanding the application scope of GPU-based MC simulations. Methods: We defined the simulation geometry consisting of a number of homogeneous bodies, each specified by its material composition and limiting surfaces characterized by quadric functions. A tree data structure was utilized to define geometric relationship between different bodies. We modified our GPU-based photon MC transport package to incorporate this geometry. Specifically, geometry parameters were loaded into GPU’s shared memory for fast access. Geometry functions were rewritten to enable the identification of the body that contains the current particle location via a fast searching algorithm based on the tree data structure. Results: We tested our package in an example problem of HDR-brachytherapy dose calculation for shielded cylinder. The dose under the quadric geometry and that under the voxelized geometry agreed in 94.2% of total voxels within 20% isodose line based on a statistical t-test (95% confidence level), where the reference dose was defined to be the one at 0.5cm away from the cylinder surface. It took 243sec to transport 100million source photons under this quadric geometry on an NVidia Titan GPU card. Compared with simulation time of 99.6sec in the voxelized geometry, including quadric geometry reduced efficiency due to the complicated geometry-related computations. Conclusion: Our GPU-based MC package has been extended to support photon transport simulation in quadric geometry. Satisfactory accuracy was observed with a reduced efficiency. Developments for charged particle transport in this geometry are currently in progress.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1984

Advanced numerics for multi-dimensional fluid flow calculations

In recent years, there has been a growing interest in the development and use of mathematical models for the simulation of fluid flow, heat transfer and combustion processes in engineering equipment. The equations representing the multi-dimensional transport of mass, momenta and species are numerically solved by finite-difference or finite-element techniques. However despite the multiude of differencing schemes and solution algorithms, and the advancement of computing power, the calculation of multi-dimensional flows, especially three-dimensional flows, remains a mammoth task. The following discussion is concerned with the author's recent work on the construction of accurate discretization schemes for the partial derivatives, and the efficient solution of the set of nonlinear algebraic equations resulting after discretization. The present work has been jointly supported by the Ramjet Engine Division of the Wright Patterson Air Force Base, Ohio, and the NASA Lewis Research Center.

Vanka, S. P.↗

DOE OSTI2022

Development, verification, and validation of comprehensive acoustic fluid-structure interaction capabilities in an open-source computational platform

The acoustic fluid-structure interaction (FSI) formulation is a practical numerical approach for the seismic analysis of fluid-filled tanks. However, there are no verification and validation studies reported in the literature that demonstrate the ability of an acoustic FSI numerical model to predict responses important to structural and mechanical design for intense translational and rotational earthquake inputs. Herein, an acoustic FSI formulation is implemented in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE), and is formally verified and validated using analytical solutions and code-to-code verification, and experimental data, respectively. The analytical solutions are for small amplitude, unidirectional seismic inputs. The code-to-code verification utilizes a previously verified and validated Arbitrary Lagrangian-Eulerian (ALE) numerical model in the commercial finite element code LS-DYNA. The validation studies utilize a comprehensive data set assembled from results of 3D earthquake-simulator tests of a fluid-filled vessel. The acoustic numerical model in MOOSE is verified and validated for hydrodynamic pressures and support reactions except for cases that involve significant convective response. For small amplitude inputs, numerically predicted wave heights match those of the analytical solutions. The numerical model is not verified and validated for wave height calculations under intense 3D seismic inputs. The run times for the acoustic FSI simulations in MOOSE are an order of magnitude, or more, shorter than for the corresponding ALE simulations in LS-DYNA. The utility of the MOOSE acoustic FSI implementation is demonstrated by seismic analysis of a building equipped with a fluid-filled, advanced nuclear reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Modeling Amorphous Microporous Polymers for CO 2 Capture and Separations

Here, this review concentrates on the advances of atomistic molecular simulations to design and evaluate amorphous microporous polymeric materials for CO 2 capture and separations. A description of atomistic molecular simulations is provided, including simulations techniques, structural generation approaches, relaxation and equilibration methodologies, and considerations needed for validation of simulated samples. Finally, the review provides general guidelines and a comprehensive update of the recent literature (since 2007) to promote the acceleration of the discovery and screening of amorphous microporous polymers for CO 2 capture and separation processes.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Boundary layer simulator (BLIMPJ) improvement

Improvements were made to advance the current Boundary Layer Integral Matrix Procedure - Version J (BLIMPJ) containing previously modeled simplified calculation methods accounting for surface roughness, relaminarization, and thick boundary layer effects. These improvements have potential applications in the design of the future Orbit Transfer Vehicles (OTV) engines. The coded wall roughness module was validated successfully against measured data from the LeRC 60-15 degree half-angle conical nozzle. The relaminarization model was modified to include wall cooling and roughness based on a set of test data from the same nozzle. The model was compared against typical data sets for validation in different flow regimes. The thrust loss calculation for thick boundary layer effects was computerized where the iterations between TDK and BLIMPJ proceeded automatically until convergence was achieved. An example is given for a typical OTV nozzle with an area ratio 1293.

Praharaj, S. C.↗

NASA NTRS1994

Dual-Use Space Technology Transfer Conference and Exhibition, Volume 1

This document contains papers presented at the Dual-Use Space Technology Transfer Conference and Exhibition held at the Johnson Space Center February 1-3, 1994. Possible technology transfers covered during the conference were in the areas of information access; innovative microwave and optical applications; materials and structures; marketing and barriers; intelligent systems; human factors and habitation; communications and data systems; business process and technology transfer; software engineering; biotechnology and advanced bioinstrumentation; communications signal processing and analysis; new ways of doing business; medical care; applications derived from control center data systems; human performance evaluation; technology transfer methods; mathematics, modeling, and simulation; propulsion; software analysis and decision tools systems/processes in human support technology; networks, control centers, and distributed systems; power; rapid development perception and vision technologies; integrated vehicle health management; automation technologies; advanced avionics; ans robotics technologies. More than 77 papers, 20 presentations, and 20 exhibits covering various disciplines were presented b experts from NASA, universities, and industry.

Kumar Krishen↗