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NASA NTRS1974

Modeling and analysis of power processing systems: Feasibility investigation and formulation of a methodology

A review is given of future power processing systems planned for the next 20 years, and the state-of-the-art of power processing design modeling and analysis techniques used to optimize power processing systems. A methodology of modeling and analysis of power processing equipment and systems has been formulated to fulfill future tradeoff studies and optimization requirements. Computer techniques were applied to simulate power processor performance and to optimize the design of power processing equipment. A program plan to systematically develop and apply the tools for power processing systems modeling and analysis is presented so that meaningful results can be obtained each year to aid the power processing system engineer and power processing equipment circuit designers in their conceptual and detail design and analysis tasks.

Biess, J. J.↗

NASA NTRS2017

Mapping the Limitations of Breakthrough Analysis in Fixed-Bed Adsorption

The separation of gases through adsorption plays an important role in the chemical processing industry, where the separation step is often the costliest part of a chemical process and thus worthy of careful study and optimization. This work developed a number of new, archival aspects on the computer simulations used for the refinement and design of these gas adsorption processes: 1. Presented a new approach to fit the undetermined heat and mass transfer coefficients in the axially dispersed plug flow equation and associated balance equations 2. Examined and described the conditions where non-physical simulation results can arise 3. Presented an approach to determine the limits of the axial dispersion and LDF mass transfer terms above which non-physical simulation results occur.

Knox, James Clinton↗

DOE OSTI2018

A Composition-Based Approach for Predicting Hanford Tank Waste Liquid Viscosity

Liquid viscosity is an important Hanford waste physical property that governs, in part, the performance of key Hanford flowsheet unit operations and processes, including waste filtration, ion exchange, pumping and transport, and mixing. Evaluation and optimization of these processes rely on liquid viscosity correlations subject to substantial error (at least ±60%) that can lead to overly conservative, and sometimes physically unachievable, limits for validation and operation of these unit operations. The current liquid viscosity correlations used for the Hanford flowsheet attempt to capture the effects of specific waste chemistry (namely, the speciation of various salts) on liquid viscosity using liquid density alone. It is postulated that the ±60% or greater error associated with these “density-based” liquid viscosity predictions is driven in part by the inability of waste density to capture the full impact of waste chemistry on liquid viscosity, and that improved prediction accuracy could be achieved by implementing a composition-based approach to evaluating liquid viscosity for Hanford wastes. Recent publications, namely those of Lencka et al. (1998), Hu (2004), and Laliberté (2007a), provide correlations and comprehensive, consolidated databases of single-salt solution viscosity that enable composition-based predictions for Hanford-type liquids (i.e., concentrated multi-component aqueous electrolyte solutions). In the current study, the viscosities of Hanford wastes and waste simulants were predicted using a composition-based model developed by Laliberté (2007a) (hereafter referred to as the “Laliberté viscosity model”) to evaluate its accuracy relative to the current density-based models used to predict waste viscosity for engineering applications at the Hanford Site. A viscosity database that captured the composition and viscosity of wastes and waste simulants was developed to support this evaluation. To facilitate application of the Laliberté viscosity model, waste and waste simulant compositions were converted to an equivalent salt recipe composed of salts with known viscosity coefficients using a number of simplifying assumptions that have the potential to impact the fidelity of the model prediction. Despite these simplifications, the Laliberté viscosity model was able to predict viscosity more accurately than the density-based correlations currently available for Hanford flowsheet use, such as that proposed in RPP-RPT- 51652. The use of composition-based viscosity models, like that proposed by Laliberté (2007a), shows promise for leading to improved prediction of liquid waste viscosity. As implemented in this study, application of the Laliberté viscosity model could lead to a decrease in the uncertainty associated with liquid viscosity prediction by as much as a factor of two, allowing for reduction in unit operation design conservatism and for the more realistic selection of test simulants for flowsheet process evaluation and optimization, all of which could potentially reduce flowsheet design margins, lower costs and reduce duration of the Hanford mission, and reduce Hanford flowsheet risks.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

FY13 Glycolic-Nitric Acid Flowsheet Demonstrations of the DWPF Chemical Process Cell with Simulants

Savannah River Remediation is evaluating changes to its current Defense Waste Processing Facility flowsheet to replace formic acid with glycolic acid in order to improve processing cycle times and decrease by approximately 100x the production of hydrogen, a potentially flammable gas. Higher throughput is needed in the Chemical Processing Cell since the installation of the bubblers into the melter has increased melt rate. Due to the significant maintenance required for the safety significant gas chromatographs and the potential for production of flammable quantities of hydrogen, eliminating the use of formic acid is highly desirable. Previous testing at the Savannah River National Laboratory has shown that replacing formic acid with glycolic acid allows the reduction and removal of mercury without significant catalytic hydrogen generation. Five back-to-back Sludge Receipt and Adjustment Tank (SRAT) cycles and four back-to-back Slurry Mix Evaporator (SME) cycles were successful in demonstrating the viability of the nitric/glycolic acid flowsheet. The testing was completed in FY13 to determine the impact of process heels (approximately 25% of the material is left behind after transfers). In addition, back-to-back experiments might identify longer-term processing problems. The testing was designed to be prototypic by including sludge simulant, Actinide Removal Product simulant, nitric acid, glycolic acid, and Strip Effluent simulant containing Next Generation Solvent in the SRAT processing and SRAT product simulant, decontamination frit slurry, and process frit slurry in the SME processing. A heel was produced in the first cycle and each subsequent cycle utilized the remaining heel from the previous cycle. Lower SRAT purges were utilized due to the low hydrogen generation. Design basis addition rates and boilup rates were used so the processing time was shorter than current processing rates.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Li-Ion Diffusion Correlations in LiAlGeO 4 : Quasielastic Neutron Scattering and Ab Initio Simulation

Here, we investigated the impact of Li stoichiometry and host flexibility on Li + diffusion processes in LiAlGeO 4 at the microscopic level using quasielastic neutron scattering (QENS) and ab initio molecular dynamics (AIMD) simulations. Using sufficiently long AIMD trajectories, we could simulate the observed QENS signal and identify the localized dynamics of Li in crystalline LiAlGeO 4 . Such information is vital to identify the bottleneck of diffusion processes and design materials for battery application. Our AIMD simulations in LiAlGeO 4 reveal that the Li + conductivity can be significantly improved by manipulating the Li stoichiometry and/or host flexibility via amorphization. We determined that excess Li stoichiometry enhances the Coulomb repulsion of neighboring Li sites and softens the host structure to enable faster Li + diffusion along the hexagonal c-axis. In the amorphous structure, random orientations of AlO 4 and GeO 4 polyhedral units create a wide distribution of intersite distances and significantly soften the host structure, greatly enhancing the Li + diffusion. The simulations are used to understand the nature of diffusion, especially the role of the host structure, the possible hopping pathways, and the diffusion behavior in various structures of LiAlGeO 4 .

localized dynamics↗

NASA NTRS1997

Using APEX to Model Anticipated Human Error: Analysis of a GPS Navigational Aid

The interface development process can be dramatically improved by predicting design facilitated human error at an early stage in the design process. The approach we advocate is to SIMULATE the behavior of a human agent carrying out tasks with a well-specified user interface, ANALYZE the simulation for instances of human error, and then REFINE the interface or protocol to minimize predicted error. This approach, incorporated into the APEX modeling architecture, differs from past approaches to human simulation in Its emphasis on error rather than e.g. learning rate or speed of response. The APEX model consists of two major components: (1) a powerful action selection component capable of simulating behavior in complex, multiple-task environments; and (2) a resource architecture which constrains cognitive, perceptual, and motor capabilities to within empirically demonstrated limits. The model mimics human errors arising from interactions between limited human resources and elements of the computer interface whose design falls to anticipate those limits. We analyze the design of a hand-held Global Positioning System (GPS) device used for radical and navigational decisions in small yacht recalls. The analysis demonstrates how human system modeling can be an effective design aid, helping to accelerate the process of refining a product (or procedure).

VanSelst, Mark↗

NASA NTRS2017

Multi-Layer RF Tissue Phantoms for Mimicking a Human Core

This work presents the design recipe, fabrication process and characterization of tissue-simulating materials, configured as a physical model to mimic the electrical and some physical properties of an abdominal cavity. The complete three layer design is called the human core model (HCM). To our knowledge, presented is the first hybrid skin-muscle phantom developed to mimic the electrical properties of the intervening tissue layers of an abdominal cavity within the frequency band of 1 GHz 2 GHz, a band of interest for human body sensing due to its deep detection depth. To complete the model, a liquid blood phantom was also developed and characterized in this frequency band. The phantoms were characterized with respect to complex dielectric constant using the Agilent 85070E dielectric probe kit, and the results compared to the Gabriel model, which is used as the standard for human tissue characterization. Since the tissue impedance is an important parameter for characterizing on-body sensors and near field antenna performance, the impedance of the phantoms were also calculated and presented in the analysis.

Bonds, Quenton↗

DOE OSTI2016

Assessment of desalination technologies for treatment of a highly saline brine from a potential CO 2 storage site

Brine extraction is a promising strategy for the management of increased reservoir pressure, resulting from carbon dioxide (CO 2 ) injection in deep saline reservoirs. The extracted brines usually have high concentrations of total dissolved solids (TDS) and various contaminants, and require proper disposal or treatment. In this article, first by conducting a critical review, we evaluate the applicability, limits, and advantages or challenges of various commercially available and emerging desalination technologies that can potentially be employed to treat the highly saline brine (with TDS values >70.000 ppm) and those that are applicable to a ~200,000 ppm TDS brine extracted from the Mt. Simon Sandstone, a potential CO 2 storage site in Illinois, USA. Based on the side-by-side comparison of technologies, evaporators are selected as the most suitable existing technology for treating Mt. Simon brine. Process simulations are then conducted for a conceptual design for desalination of 454 m 3 /h (2000 gpm) pretreated brine for near-zero liquid discharge by multi-effect evaporators. In conclusion, the thermal energy demand is estimated at 246kWh perm 3 of recoveredwater, ofwhich 212kWh/m 3 is required for multiple-effect evaporation and the remainder for salt drying. The process also requires additional electrical power of ~2 kWh/m 3 .

42 ENGINEERING↗

DOE OSTI2015

Draft Test Plan for Brine Migration Experimental Studies in Run-of-Mine Salt Backfill

The primary objective of the experimental effort described here is to aid in understanding the complex nature of liquid, vapor, and solid transport occurring around heated nuclear waste in bedded salt. In order to gain confidence in the predictive capability of numerical models, experimental validation must be performed to ensure that (a) hydrological and physiochemical parameters and (b) processes are correctly simulated. The experiments proposed here are designed to study aspects of the system that have not been satisfactorily quantified in prior work. In addition to exploring the complex coupled physical processes in support of numerical model validation, lessons learned from these experiments will facilitate preparations for larger-scale experiments that may utilize similar instrumentation techniques.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

Multi-Layer RF Tissue Phantoms for Mimicking a Human Core

Biomedical Microwave Sensing↗

NASA NTRS2019

Generation of a Reduced-Order Model of an Unmanned Combat Air Vehicle Using Indicial Response Functions

Within the NATO STO AVT-251 Task Group, a generic Unmanned Combat Air Vehicle (UCAV) planform was redesigned based on requirements derived from parts of the flight envelope of the defined mission. Because of the lambda-shape planform and associated flow phenomena including shocks and vortices, the aerodynamic design process relies heavily on high-fidelity predictions from computational fluid dynamics (CFD). These simulations enable accurate flight dynamics predictions, allowing for the identification of any potential performance issues early in the design process. Potentially, a complete flight dynamics model can be derived from CFD calculations provided that the underlying reduced order model (ROM) captures the underlying physics contained within the CFD results. This work investigates the creation of a nonlinear ROM using indicial response functions. The response functions are obtained using a grid motion approach that separates the effects of angle of attack and pitch rate. This approach is demonstrated using three different CFD codes from various organizations: ENSOLV at Royal Netherlands Aerospace Centre, USM3D at NASA Langley Research Center, and Kestrel at the United States Air Force Academy. ROM predictions were generated for a manoeuver resembling a low-speed pull-up. The predictions are found to be sensitive to the quality of the steady-state solutions from which step-response calculations were started, as well as the convergence of the step responses themselves. Nevertheless, the indicial response method is shown to provide aerodynamic predictions with acceptable accuracy including transient effects, and as such is a promising method for computationally efficient flight dynamics predictions.

Michel P.C. van Rooij↗

DOE OSTI2025

Scan2Sim: Software to Convert Network Scans to Emulations

Within operational technology (OT) systems design, the construction of testing environments for simulation is often a tedious, manual process that slows down safety and security evaluations. This document details the design and functionality of Scan2Sim, a program designed to construct high-fidelity topological schematics for OT systems without significant manual human input. Scan2Sim may take as input a detailed network scan of a system, and produces an instruction set to re-create the original scanned network within a virtualized simulation network. This construction is achieved via heuristic methods of machine template selection, which allows for a fast, performant approach to automated environment construction. The current tool is designed to produce topology schematics compatible with the Minimega, a tool designed by Sandia National Laboratories for repeatable experimentation management.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Electrically-Assisted Tubing Processes for Enhancing Manufacturability of Oxide Dispersion Strengthened Structural Materials for Nuclear Reactor Applications

The overall goal of this project is to enhance the formability of Nanostructured Ferritic Alloys (NFAs) such that high-strength thin-walled claddings can be successfully and economically manufactured for use in future nuclear reactors. Specifically, four objectives were identified: Objective #1 – to achieve a good understanding of the mechanical behavior and resulting microstructure of 14YWT made from the powder form subjected to various Electrically- Assisted (EA) loading conditions. Objective #2 – to conduct EA-flat rolling of 14YWT completed and the prioritization/selection of two alternative designs of EA tube rolling processes. Objective #3 – to design and assemble a new EA tube rolling machine. Objective #4 – to conduct rolling using the new EA rolling machine. The above objectives were achieved and the findings can be further applied to establish other innovative fabrication processes. Specifically, the major accomplishments are summarized as: The use of an EA forming process was investigated to reduce the forming force of ODS ferritic steels. The effect of a continuous electric current on 14YWT during plastic deformation was evaluated. EA uniaxial tension tests show that the electric current is able to reduce the flow stress of 14YWT. 14YWT exhibits a ductility minimum at a current density of 34.5 A/mm2 which is consistent with fractography results. Hardness measurements and TEM results indicate that oxide particles are stable during the EA process. By following the tests, microstructure analysis was performed on the sample in its as-received state and after current treatment. The microstructures are stable when subjected to high current density. The related thermal model was developed to predict the Joule heating temperatures. The temperatures were compared with the experimental results. At last, a temperature-dependent hardening model was used to explore the mechanisms acting during EA deformation. Since the model can accurately predict the yield strength of 14YWT under EA conditions without the incorporation of non-thermal effects, it can be concluded that the reduction in yield strength is due to the Joule heating generated under continuous current loading conditions. An oven-heated pure thermal tension test was conducted to confirm this conclusion. The new EA tube rolling machine has been completely developed. The related work includes: (1) forming process design; (2) analysis of the effect of roll-tube contact geometry on rolling force; (3) analysis of machine performance under mechanical loading; (4) design of machine electrical setting path and insulation; (5) multi-pass process analysis; (6) design of power transmission system (axial/radial/torque feeding mechanisms), roll bearing system, cooling system, workpiece feeding mechanism, and other related mechanical connection support components; (7) design and optimization of roll profiles/dimensions; (8) analysis and simulation of the rolling process; (9) development of engineering drawings and fabrication; (10) assembly and calibration of the EA tube rolling machine; (11) design and integration of the electrical control system; (12) hardware integration for high power supply electrically-assisted rolling process; (13) induction heating system integration; (14) experimental tests for the new rolling process. Through the process from conceptual design to final machine calibration and experimental tests, there are many technical and physical works that have been implemented and improved for the best performance of the innovative prototype.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Using Co-Optimized Machine Learned Manifolds for Modeling Chemically Reacting Flows

Chemically reacting flows play a key role in a wide range of engineered systems, from chemical and polymer processing to combustion-based energy conversion technologies. Simulations of these flows involve solving a coupled set of partial differential equations for mass, momentum, energy, and all relevant chemical species in the system. Chemical reaction pathways may be extremely complex and involve hundreds or more intermediate species, with reactions that occur over timescales varying by several orders of magnitude - presenting a significant numerical stiffness challenge. The combination of these factors makes simulation of chemically reacting flows vastly more expensive than nonreactive simulations, and often makes direct solution of the governing equations intractable. It is necessary to apply lower-fidelity models in place of the detailed governing equations in order to reduce computational cost to enable reacting flow simulation tools to be used in the engineering design process. Many of the models employed for this purpose are based on reducing the dimension of the thermochemical state, motivated by the observation that the observed thermochemical states in a system lie on a low-dimensional manifold in thermochemical state space. This behavior occurs due to the fast equilibration of certain reactive and transport processes, and physics-based manifold models rely on idealized assumptions about the balance of timescales and the way in which chemistry and transport are coupled. In this work, we apply a novel method for data-driven manifold-based modeling that can leverage data from high-fidelity reacting flow simulations to improve model accuracy in cases where the physics-based modeling assumptions break down. The approach is designed to be broadly applicable across chemically reacting flow systems but is applied here to turbulent combustion modeling.

machine learning↗

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↗

NASA NTRS1997

Encounter Geometry and Science Data Gathering Simulation

Each space mission follows the process cycle of design, development, intergration and test, launch and operation, science analysis and archive. The desire for more frequent and cost effective missions has motivated various new research and development efforts to reduce the design to launch period and the operarion/analysis costs.

Cost↗

DOE OSTI2014

Bayesian Treed Multivariate Gaussian Process with Adaptive Design: Application to a Carbon Capture Unit

Computer experiments (numerical simulations) are widely used in scientific research to study and predict the behavior of complex systems, which usually have responses consisting of a set of distinct outputs. The computational cost of the simulations at high resolution are often expensive and become impractical for parametric studies at different input values. To overcome these difficulties we develop a Bayesian treed multivariate Gaussian process (BTMGP) as an extension of the Bayesian treed Gaussian process (BTGP) in order to model and evaluate a multivariate process. A suitable choice of covariance function and the prior distributions facilitates the different Markov chain Monte Carlo (MCMC) movements. We utilize this model to sequentially sample the input space for the most informative values, taking into account model uncertainty and expertise gained. A simulation study demonstrates the use of the proposed method and compares it with alternative approaches. We apply the sequential sampling technique and BTMGP to model the multiphase flow in a full scale regenerator of a carbon capture unit. The application presented in this paper is an important tool for research into carbon dioxide emissions from thermal power plants.

Konomi, Bledar A.↗

NASA NTRS2023

Modeling and Simulation for Exercise Vibration Isolation and Stabilization System Design

The microgravity environment that crew members experience on orbit presents a well-known health challenge, particularly when it comes to loss of muscle and bone mass. To counteract these negative effects, exercise countermeasures play a critical role in the daily routine of the crew on the International Space Station (ISS). To help inform requirements for upcoming exploration missions such as the Gateway Program, a new device, called the European Enhanced Exploration Exercise Device (E4D), is being built by the European Space Agency through their contractor, the Danish Aerospace Company. The E4D is being demonstrated on the ISS and is unique from other current exercise devices in that it provides four separate modalities in a single device: resistive, cycle ergometry, seated aerobic rowing, and rope pulling. To support the integration of E4D on ISS, a passive Vibration Isolation and Stabilization (VIS) system was required by NASA, and this responsibility was given to the Johnson Space Center. This paper describes the end-to-end process of modeling, simulation, and analysis used to inform the mechanical design of the VIS system. The process begins with the collection of representative exerciser motion capture (MoCap) through ground-based testing with the developmental E4D in both the Prototype Immersive Technology (PIT) Laboratory and the Active Response Gravity Offload System (ARGOS) facility at the Johnson Space Center. These collected MoCap data are processed through human biomechanics modeling to create forcing functions as input to a multibody dynamics simulation of the combined E4D/VIS system, with numerous resulting outputs. These outputs include microgravity accelerations, overall system displacements, internal and transmitted loads, as well as collisions. Microgravity accelerations are compared for compliance against ISS requirements while displacements are used for sway space determinations on the design and volumetric constraints within the targeted module. Internal loads are supplied to the supporting stress analysis teams and external loads for structural loads and dynamics teams, both at NASA and ESA. Finally, contact and clearance analysis is performed using the simulation to eliminate potential design issues. To ensure that the elements of the multibody simulation were verified and validated, correlation against multiple VIS related ground hardware testbeds was performed and characterized. In addition to the isolation part of the VIS problem, stabilization is also key to the integrated performance and evaluation. Due to the difficulty in defining ISS requirements in this area, the stability of the exerciser was inspected via analysis. Loss of balance was defined analytically as occurring when the resultant force vector acting on the exerciser lies outside the base of support of the feet. Both the VIS and E4D teams have recently gone through their Critical Design Reviews (CDRs) and the iterative model-based approach has been integral to inform mechanical design, particularly in the case of the VIS. This same end-to-end approach is now being applied for the Gateway Program, where an Exploration Exercise Device (EED) derived from the E4D and notional VIS for the device are under concept development.

Countermeasures↗