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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Chemical Pre-Treatment of used Fuel for Long–Term Storage

Repository programs throughout the world have been slowed by the need for increased local public involvement in the siting and licensing process. The result has been an increase in the dry storage of used fuel at reactor sites and the potential that such storage may be extended for many decades, even centuries. While there are sound technical reasons to believe that dry storage can be conducted safely, there are increasing concerns that the ultimate transfer to either a future repository or a centralized separations plant may result in fractured cladding and serious handling issues, including criticality concerns. These concerns would be increased for higher burn-up fuels. Currently, various chemical pre-treatment processes under R&D for application to commercial used oxide fuel have been investigated at the laboratory scale as methods to simplify and increase the safety of the remaining stages of conventional solvent extraction processing. This includes advanced decladding methods and various oxidation/reduction processes designed to release volatile and semi-volatile fission products, produce finely divided uranium oxide powder, and ameliorate the subsequent nitric acid dissolution step. The paper examines the potential for combining several chemical and physical pre-treatment steps to minimize long-term concerns about safe transport of used fuel, possibly providing another option for future nuclear waste management. Laboratory data from both cold and hot testing will provide the basis for the evaluation. An example of a potential pre-treatment process includes shearing, advanced voloxidation and off-gas treatment, the possible mixing of the resulting uranium oxide with a secondary oxide, and densification and recanning in nitric acid-soluble storage containers for extended time periods. Chemical decladding may be feasible to replace shearing. Zirconium recycle may also be feasible, significantly reducing high level waste quantities. Both analytic and experimental data will be applied to the examination of this potential fuel cycle option.

Bresee, James↗
NASA NTRS2000

Development of a Composite Tailoring Procedure for Airplane Wings

The quest for finding optimum solutions to engineering problems has existed for a long time. In modern times, the development of optimization as a branch of applied mathematics is regarded to have originated in the works of Newton, Bernoulli and Euler. Venkayya has presented a historical perspective on optimization in [1]. The term 'optimization' is defined by Ashley [2] as a procedure "...which attempts to choose the variables in a design process so as formally to achieve the best value of some performance index while not violating any of the associated conditions or constraints". Ashley presented an extensive review of practical applications of optimization in the aeronautical field till about 1980 [2]. It was noted that there existed an enormous amount of published literature in the field of optimization, but its practical applications in industry were very limited. Over the past 15 years, though, optimization has been widely applied to address practical problems in aerospace design [3-5]. The design of high performance aerospace systems is a complex task. It involves the integration of several disciplines such as aerodynamics, structural analysis, dynamics, and aeroelasticity. The problem involves multiple objectives and constraints pertaining to the design criteria associated with each of these disciplines. Many important trade-offs exist between the parameters involved which are used to define the different disciplines. Therefore, the development of multidisciplinary design optimization (MDO) techniques, in which different disciplines and design parameters are coupled into a closed loop numerical procedure, seems appropriate to address such a complex problem. The importance of MDO in successful design of aerospace systems has been long recognized. Recent developments in this field have been surveyed by Sobieszczanski-Sobieski and Haftka [6].

Chattopadhyay, Aditi↗
DOE OSTI2019

Kinetic Monte Carlo Simulations of Chemical Reactions on Surfaces

Lattice based kinetic Monte Carlo (kMC) simulations are a powerful tool for micro-kinetic modeling. The kinetic Monte Carlo technique stochastically simulates chemical reaction processes (e.g. adsorption, desorption, diffusion), where the probability of a given reaction process being selected is weighted by its rate constant. The open source software package, KMOS1, allows fast construction of kMC simulations by automatically implementing a computationally efficient kMC framework, thus allowing the researcher to focus on accurate parameterization and formulation of the kinetic model. From this, the spatiotemporal evolution (e.g. concentration, surface configuration, turnover frequencies) of crystal surfaces or bulk crystalline structures is obtained. KMOS uses the variable step-size method implementation of kMC. At each step, the VSSM updates available events, calculates the corresponding transition rates and simulation time, and selects one of the available events. The lattice based kMC technique has many potential applications within SRNL where chemical kinetics are of interest. By transitioning through time along a trajectory of configuration space, fundamental insights to a system's dominant reactions and parameters can be gained, leading to improved materials and process design. In this work, we have established capabilities for fast implementation of kMC simulations through the installation and testing of the KMOS software on SRNL high performance computing resources. The parameterization of kMC simulations is often performed from first-principles energetic calculations. For the purposes of this work, the test cases use arbitrary species and thus, have arbitrary parameterization. In order to demonstrate the use of KMOS, two primary test cases are shown. Case 1 involves simple adsorption and desorption. Case 2 involves a slightly more complex mechanism. The evolution of the surface concentration and the final surface configuration for simulation Case 2 is shown. Rate-limiting processes and rate-limiting configurations are not always known or understood, but kMC provides information pertaining to both. The capability to implement efficient micro-kinetic models using the kinetic Monte Carlo technique has been established through the testing and installation of KMOS on SRNL HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Grand challenges in the design, manufacture, and operation of future wind turbine systems

Abstract. Wind energy is foundational for achieving 100 % renewable electricity production, and significant innovation is required as the grid expands and accommodates hybrid plant systems, energy-intensive products such as fuels, and a transitioning transportation sector. The sizable investments required for wind power plant development and integration make the financial and operational risks of change very high in all applications but especially offshore. Dependence on a high level of modeling and simulation accuracy to mitigate risk and ensure operational performance is essential. Therefore, the modeling chain from the large-scale inflow down to the material microstructure, and all the steps in between, needs to predict how the wind turbine system will respond and perform to allow innovative solutions to enter commercial application. Critical unknowns in the design, manufacturing, and operability of future turbine and plant systems are articulated, and recommendations for research action are laid out. This article focuses on the many unknowns that affect the ability to push the frontiers in the design of turbine and plant systems. Modern turbine rotors operate through the entire atmospheric boundary layer, outside the bounds of historic design assumptions, which requires reassessing design processes and approaches. Traditional aerodynamics and aeroelastic modeling approaches are pressing against the limits of applicability for the size and flexibility of future architectures and flow physics fundamentals. Offshore wind turbines have additional motion and hydrodynamic load drivers that are formidable modeling challenges. Uncertainty in turbine wakes complicates structural loading and energy production estimates, both around a single plant and for downstream plants, which requires innovation in plant operations and flow control to achieve full energy capture and load alleviation potential. Opportunities in co-design can bring controls upstream into design optimization if captured in design-level models of the physical phenomena. It is a research challenge to integrate improved materials into the manufacture of ever-larger components while maintaining quality and reducing cost. High-performance computing used in high-fidelity, physics-resolving simulations offer opportunities to improve design tools through artificial intelligence and machine learning, but even the high-fidelity tools are yet to be fully validated. Finally, key actions needed to continue the progress of wind energy technology toward even lower cost and greater functionality are recommended.

17 WIND ENERGY↗
NASA NTRS2006

G2 Flywheel Module Design

Design of a flywheel module, designated the G2 module, is described. The G2 flywheel is a 60,000 RPM, 525 W-hr, 1 kW system designed for a laboratory environment; it will be used for component testing and system demonstrations, with the goal of applying flywheels to aerospace energy storage and integrated power and attitude control (IPACS) applications. G2 has a modular design, which allows for new motors, magnetic bearings, touchdown bearings, and rotors to be installed without a complete redesign of the system. This design process involves several engineering disciplines, and requirements are developed for the speed, energy storage, power level, and operating environment. The G2 rotor system consists of a multilayer carbon fiber rim with a titanium hub on which the other components mount, and rotordynamics analysis is conducted to ensure rigid and flexible rotor modes are controllable or outside of the operating speed range. Magnetic bearings are sized using 1-D magnetic circuit analysis and refined using 3-D finite element analysis. The G2 magnetic bearing system was designed by Texas A&M and has redundancy which allows derated operation after the loss of some components, and an existing liquid cooled two pole permanent magnet motor/generator is used. The touchdown bearing system is designed with a squeeze film damper system allowing spin down from full operating speed in case of a magnetic bearing failure. The G2 flywheel will enable module level demonstrations of component technology, and will be a key building block in system level attitude control and IPACS demonstrations.

Jensen, Ralph H.↗
NASA NTRSDate not supplied

Using Systems Engineering to Develop an Integrated Crew Health and Performance System to Mitigate Risk for Human Exploration Missions

New space exploration missions are currently being designed to take humanity beyond Low EarthOrbit (LEO) to cis-lunar space, the lunar surface, and eventually to Mars. These missions carryincreased risks due to a number of factors, including distance from Earth, exposure to deep spacehazards, reduced capacity and ability to resupply and evacuate, and increased communication delays.As distance from Earth grows and mission length increases, a growing proportion of overall missionrisk can be attributed to the “human system.” Almost twenty years ago, the Institute of Medicine in theUnited States recommended the early and complete integration of the human system into thespacecraft and mission design process to mitigate this increased risk inherent in exploration missions.Exploration missions will require increasing levels of crew self-sufficiency that will challenge thecurrent operational paradigms established in LEO. Enabling progressive Earth independence requiresmanagement of the increasingly complex interactions among spacecraft systems and integration of allthe data and functions that affect human health and performance into one coordinated system – theCrew Health and Performance (CHP) system. This system is a critical spacecraft system that isanalogous to other systems such as propulsion, guidance and navigation, or avionics. Design andintegration of the CHP system requires the evidence-based merger of typically disparate disciplinessuch as medicine, human factors, and physiological support system design, using systems engineering(SE) practices. The approach described here enables spacecraft and mission designers to align thescope of a CHP system with mission specific requirements, decrease risk to the crew, and increase theprobability of mission success.

Kerry Mcguire↗
DOE OSTI2021

Valence Effects of Fe Impurity for Recovered LiNi 0.6 Co 0.2 Mn 0.2 O 2 Cathode Materials

Iron impurities are generally included in the obtained leaching liquor solution during the hydrometallurgical recycling method of spent lithium-ion batteries (LIBs) due to the usage of iron in battery casings and machinery parts of recycling equipment, which would definitely affect the physical and electrochemical features of the recovered active materials. In this paper, the effects of iron impurity with different valence states (Fe 2+ and Fe 3+ ) and gradient concentrations (0.2, 1.0, and 5.0 at. %) for the obtained LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) cathodes are fully studied. It is found that Fe3+ impurity could easily lower the tap density and average size of NCM622 particles and even introduce some impurity phases in the NCM622 structure at high concentration (5.0 at. %), leading to much lower specific capacity, worse rate capability, and cycling performance of the Fe 3+ -based NCM622 cathode. On contrast, with certain concentrations of Fe 2+ impurity (0.2 and 1.0 at. %), the NCM622 cathode material exhibits comparable and much better electrochemical properties compared with the virgin NCM622 materials. Based on these results, the valence of Fe impurity should be considered and controlled as well as its concentration during the recycling process design for spent LIBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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

Physics-informed machine-learning model of temperature evolution under solid phase processes

We model temperature dynamics during Shear Assisted Proccess Extrusion (ShAPE), a solid phase process that plasticizes feedstock with a rotating tool and subsequently extrudes it into a consolidated tube, rod, or wire. Control of temperature is critical during ShAPE processing to avoid liquefaction, ensure smooth extrusion, and develop desired material properties in the extruded products. Accurate modeling of the complicated thermo-mechanical feedbacks between process inputs, material temperature, and heat generation presents a significant barrier to predictive modeling and process design. In particular, connecting micro-structural scale mechanisms of heat generation to macro-scale predictions of temperature can become computationally intractable. In this work we use a neural network (NN) model of heat generation to bridge this gap, by combining it with a simplified model of the temperature dynamics due to conduction and convection to capture the macro scale evolution of temperature. We inform the construction of the NN heat generation model using crystal plasticity simulations at the micro-structural scale to model the effects of process inputs on generation of heat. We achieved close fits of the temperature dynamics model to a diverse experimental data-set. Further, the relationships learned by the NN model between process inputs and heat generation showed qualitative agreement with those predicted by crystal plasticity simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Computational studies of physical properties of Nb-Si based alloys

The overall goal is to provide physical properties data supplementing experiments for thermodynamic modeling and other simulations such as phase filed simulation for microstructure and continuum simulations for mechanical properties. These predictive computational modeling and simulations may yield insights that can be used to guide materials design, processing, and manufacture. Ultimately, they may lead to usable Nb-Si based alloy which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a first principles method based supercell approach for calculating thermodynamic and mechanic properties of ordered crystals and disordered lattices including solid solution; (2) application of the supercell approach to Nb-Si base alloy to compute physical properties data that can be used for thermodynamic modeling and other simulations to guide the optimal design of Nb-Si based alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Commercial Building Partners Catalyze High Performance Buildings Across the Nation

In 2008 the US Department of Energy (DOE) launched the Commercial Buildings Partnership (CBP) project to accelerate market adoption of commercially available energy saving technologies into the design process for new and upgraded commercial buildings. The CBP represents a unique collaboration between industry leaders and DOE to develop high performance buildings as a model for future construction and renovation. CBP was implemented in two stages. This paper focuses on lessons learned at Pacific Northwest National Laboratory (PNNL) in the first stage and discusses some partner insights from the second stage. In the first stage, PNNL and the National Renewable Energy Laboratory recruited CBP partners that own large portfolios of buildings. The labs provide assistance to the partners' design teams and make a business case for energy investments.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2010

General Pressurization Model in Simscape

System integration is an essential part of the engineering design process. The Ares I Upper Stage (US) is a complex system which is made up of thousands of components assembled into subsystems including a J2-X engine, liquid hydrogen (LH2) and liquid oxygen (LO2) tanks, avionics, thrust vector control, motors, etc. System integration is the task of connecting together all of the subsystems into one large system. To ensure that all the components will "fit together" as well as safety and, quality, integration analysis is required. Integration analysis verifies that, as an integrated system, the system will behave as designed. Models that represent the actual subsystems are built for more comprehensive analysis. Matlab has been an instrument widely use by engineers to construct mathematical models of systems. Simulink, one of the tools offered by Matlab, provides multi-domain graphical environment to simulate and design time-varying systems. Simulink is a powerful tool to analyze the dynamic behavior of systems over time. Furthermore, Simscape, a tool provided by Simulink, allows users to model physical (such as mechanical, thermal and hydraulic) systems using physical networks. Using Simscape, a model representing an inflow of gas to a pressurized tank was created where the temperature and pressure of the tank are measured over time to show the behavior of the gas. By further incorporation of Simscape into model building, the full potential of this software can be discovered and it hopefully can become a more utilized tool.

Servin, Mario↗
DOE OSTI2021

Economic and Environmental Assessment of Biological Conversions of Agile BioFoundry (ABF) Bio-Derived Chemicals

Bio-derived chemicals are an essential part of the growing bioeconomy. They possess the potential to boost a new domestic bioproduct industry, improve the sustainability of integrated biomanufacturing, and reduce U.S. dependence on fossil energy. The Agile BioFoundry (ABF) consortium, a Department of Energy (DOE)-sponsored collaboration, is investigating biobased pathways to produce advantaged products including advanced biofuels, fuel intermediates, and bioproducts. ABF is integrating advanced computational tools for biological engineering, process design and data analysis, and economic/sustainability modeling tools into a comprehensive and dynamic platform for biomanufacturing of microbes and using them to produce key metabolic intermediates or beachhead molecules which may be derivatized into several distinct bioproducts of industrial interest. In this presentation, we first discuss a methodology to select a single exemplar product molecule to represent each beachhead pathway based on similarities with other end-molecule options (yields/titers/rates, fermentation operation mode, oxygen requirements, general separations challenges, etc.), in order to maintain a reasonable number of cases for rigorous process simulation. We then use techno-economic analysis (TEA) and life-cycle analysis (LCA) to highlight sensitivities and trends around economic performance and environmental footprint, reflecting examples for two selected ABF technology pathways to bio-derived chemicals: 1) adipic acid production via muconic acid fermentation from mixed sugars with Pseudomonas putida and 2) cineole via geranyl diphosphate with Rhodosporidium toruloides. We present multi-variable scan plots highlighting key drivers on costs and greenhouse gas emissions in order to identify the parameter space in which each pathway could ultimately achieve economic and environmental sustainability meeting or exceeding commodity product benchmarks, thus prioritizing future R&D focus areas.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRSDate not supplied

Using Systems Engineering to Develop an Integrated Crew Health and Performance System to Mitigate Risk for Human Exploration Missions

New space exploration missions are currently being designed to take humanity beyond low Earth orbit (LEO) to cis-lunar space, the lunar surface, and eventually to Mars. These missions carry increased risks due to a number of factors, including distance from Earth, exposure to deep space hazards, reduced capacity and ability to resupply and evacuate, and increased communication delays. As distance from Earth grows and mission length increases, a growing proportion of mission risk can be attributed to the “human system.” Almost twenty years ago, the Institute of Medicine in the United States recommended the early and complete integration of the human system into the spacecraft and mission design process to mitigate this increased risk inherent in exploration missions. Exploration missions will require increasing levels of crew self-sufficiency that will challenge the current operational paradigms established in LEO. Enabling progressive Earth independence requires management of the increasingly complex interactions among spacecraft systems and integration of all the data and functions that affect human health and performance into one coordinated system –the Crew Health and Performance (CHP) system. This system is a critical spacecraft system that is analogous to other systems such as propulsion, guidance and navigation, or avionics. Design and integration of the CHP system requires the evidence-based merger of typically disparate disciplines such as medicine, human factors, and life support system design, using systems engineering (SE) practices. SE provides traceability of spacecraft requirements and enables reliable and repeatable trade space analysis of the many competing options for hardware and software to be included in the mission architecture. The approach described here enables spacecraft and mission designers to align the scope of a CHP system with mission specific requirements, decrease risk to the crew, and increase the probability of mission success.

Kerry McGuire↗
NASA NTRS1990

Mars mission gravity profile simulation

A flight experiment designed to determine the need for artificial gravity for Mars mission architectures at earlier stages of the design process is proposed. The Soviet Mir space station, the NASA Space Shuttle, and the resources of NASA Ames Research Center would be used to duplicate in the terrestrial environment the complete Mars-mission gravity profile in order to assess the need for artificial gravity. All mission phases of 1 G would be on earth; all mission phases of zero or micro G would be in space aboard Mir; and all launch, ascent, orbit, deorbit, approach, departure, and descent G loads would be provided by actual spacecraft in operations that could be designed to simulate the actual G loads, while the Mars stay time would be simulated on earth or in a variable-gravity research facility in space. Methods of simulating activities on the Martian surface are outlined along with data monitoring, countermeasures, and launch site and vehicle selection criteria.

Kuznetz, Lawrence H.↗
NASA NTRS1992

The NASA/Industry Design Analysis Methods for Vibrations (DAMVIBS) Program - Boeing helicopters airframe finite element modeling

Finite-element modeling of the airframe vibration of the Army/Boeing CH-47D helicopter is conducted with comparisons to experimental data in an effort to improve the design process. A NASTRAN FEM is developed that is fully representative of the test configuration and includes the support fixture, shakers, and the aircraft/shaker suspension system. The analysis is conducted with specific attention given to the prediction of reasonable forced amplitudes throughout the airframe. Reasonable correlation is noted between the FEM and experimental results, although improved correlation can be obtained by including more accurate damping values and secondary effects such as stringer shear loading. It is shown that the general stress model does not provide an adequate dynamic analysis on which to base design improvements. A more detailed model is required that emphasizes highly detailed helicopter elements and employs a finer mesh particularly in the description of the mass distribution.

Gabel, R.↗
DOE OSTI2019

Integrating narratives into decision making for complex systems engineering design issues

Abstract Engineering decision making and design requires collaboration between groups from different disciplines, each with different tools, vocabulary, and concerns. Traditional engineering decision‐making tools are generally based on understanding the decision makers’ values, modeling uncertainty with probability, and selecting the alternative that maximizes utility. This rational approach to decision making may not be well understood or used by many stakeholders involved in the engineering design process. Constructing narratives, a basic means of human communication, may aid in engineering communication and comprehension and help with decision making. Narratives represent events by means of a story and usually include characters or agents who cause events and to whom events happen. This paper recommends three methods for how the use of narrative can be applied to the area of engineering decision making. These methods include connecting the decision maker to the analysis, creating narrative simulations for training decision makers, and fostering consensus in problems with multiple stakeholders. An illustrative example of designing a better cookstove for the developing world demonstrates the role that understanding narratives of various stakeholders can play for accomplishing complex systems engineering.

MacKenzie, Cameron A.↗
DOE OSTI2025

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗