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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Multi-physics Modeling for Improving Li-Ion Battery Safety; NREL (National Renewable Energy Laboratory)

Battery performance, cost, and safety must be further improved for larger market share of HEVs/PEVs and penetration into the grid. Significant investment is being made to develop new materials, fine tune existing ones, improve cell and pack designs, and enhance manufacturing processes to increase performance, reduce cost, and make batteries safer. Modeling, simulation, and design tools can play an important role by providing insight on how to address issues, reducing the number of build-test-break prototypes, and accelerating the development cycle of generating products.

25 ENERGY STORAGE↗
DOE OSTI2014

Interface design of VSOP'94 computer code for safety analysis

Today, most software applications, also in the nuclear field, come with a graphical user interface. VSOP'94 (Very Superior Old Program), was designed to simplify the process of performing reactor simulation. VSOP is a integrated code system to simulate the life history of a nuclear reactor that is devoted in education and research. One advantage of VSOP program is its ability to calculate the neutron spectrum estimation, fuel cycle, 2-D diffusion, resonance integral, estimation of reactors fuel costs, and integrated thermal hydraulics. VSOP also can be used to comparative studies and simulation of reactor safety. However, existing VSOP is a conventional program, which was developed using Fortran 65 and have several problems in using it, for example, it is only operated on Dec Alpha mainframe platforms and provide text-based output, difficult to use, especially in data preparation and interpretation of results. We develop a GUI-VSOP, which is an interface program to facilitate the preparation of data, run the VSOP code and read the results in a more user friendly way and useable on the Personal 'Computer (PC). Modifications include the development of interfaces on preprocessing, processing and postprocessing. GUI-based interface for preprocessing aims to provide a convenience way in preparing data. Processing interface is intended to provide convenience in configuring input files and libraries and do compiling VSOP code. Postprocessing interface designed to visualized the VSOP output in table and graphic forms. GUI-VSOP expected to be useful to simplify and speed up the process and analysis of safety aspects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Materials by Design for Stiff and Tough Hairy Nanoparticle Assemblies

We report matrix-free polymer-grafted nanocrystals, called assembled hairy nanoparticles (aHNPs), can significantly enhance the thermomechanical performance of nanocomposites by overcoming nanoparticle dispersion challenges and achieving stronger interfacial interactions through grafted polymer chains. However, effective strategies to improve both the mechanical stiffness and toughness of aHNPs are lacking given the general conflicting nature of these two properties and the large number of molecular parameters involved in the design of aHNPs. Here, we propose a computational framework that combines multiresponse Gaussian process metamodeling and coarse-grained molecular dynamics simulations to establish design strategies for achieving optimal mechanical properties of aHNPs within a parametric space. Taking poly(methyl methacrylate) grafted to high-aspect-ratio cellulose nanocrystals as a model nanocomposite, our multiobjective design optimization framework reveals that the polymer chain length and grafting density are the main influencing factors governing the mechanical properties of aHNPs, in comparison to the nanoparticle size and the polymer–nanoparticle interfacial interactions. In particular, the Pareto frontier, that marks the upper bound of mechanical properties within the design parameter space, can be achieved when the weight percentage of nanoparticles is above around 60% and the grafted chains exceed the critical length scale governing transition into the semidilute brush regime. We show that theoretical scaling relationships derived from the Daoud–Cotton model capture the dependence of the critical length scale on graft density and nanoparticle size. Lastly, our established modeling framework provides valuable insights into the mechanical behavior of these hairy nanoparticle assemblies at the molecular level and allows us to establish guidelines for nanocomposite design.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Development of High-Performance Cast Crankshafts. Final Technical Report

The objective of this project was to develop technologies that would enable the production of cast crankshafts that can replace high performance forged steel crankshafts. To achieve this, the Ultimate Tensile Strength (UTS) of the new material needs to be 850 MPa with a desired minimum Yield Strength (YS; 0.2% offset) of 615 MPa and at least 10% elongation. Perhaps more challenging, the cast material needs to be able to achieve sufficient local fatigue properties to satisfy the durability requirements in today’s high performance gasoline and diesel engine applications. The project team focused on the development of cast steel alloys for application in crankshafts to take advantage of the higher stiffness over other potential material choices. The material and process developed should be able to produce high-performance crankshafts at no more than 110% of the cost of current production cast units, perhaps the most difficult objective to achieve. To minimize costs, the primary alloy design strategy was to design compositions that can achieve the required properties with minimal alloying and post-casting heat treatments. An Integrated Computational Materials Engineering (ICME) based approach was utilized, rather than relying only on traditional trial-and-error methods, which has been proven to accelerate alloy development time. Prototype melt chemistries designed using ICME were cast as test specimens and characterized iteratively to develop an alloy design within a stage-gate process. Standard characterization and material testing was done to validate the alloy performance against design targets and provide feedback to material design and manufacturing process models. Finally, the project called for Caterpillar and General Motors (GM) to develop optimized crankshaft designs using the final material and manufacturing processing path developed. A multi-disciplinary effort was to integrate finite element analyses by engine designers and geometry-specific casting simulations with existing materials models to optimize crankshaft cost and performance. Prototype crankshafts of the final design were to be produced and validated using laboratory bench testing and on-engine durability testing. ICME process simulation tools were used to investigate a broad range of processing concepts. These concepts included casting orientation, various mold and core materials, and various filling and feeding strategies. Each crankshaft was first simulated without gating and risers, which is termed natural solidification. The natural solidification results were used as a baseline for strategy development of each concept. Casting process simulations and ICME tools were proven to be reasonable predictors of real world results. Potential alloys were developed that could meet the project material property goals with appropriate normalization and temper treatments. For the alloys considered, post-normalization temper treatments proved to be necessary to achieve the desired yield strengths and elongations and appropriate heat treatments were designed using ICME tools. The experimental data of all the alloys were analyzed in combination with ICME tools to establish chemistry-process-structure relations. Several GM small gas engine (SGE) crankshafts were successfully cast in sand molds using two different sprue, runner, gate, riser, chill designs. These crankshafts were cast in two different steel alloys developed during the project, but casting finishing (e.g. riser removal) remains a cost challenge. A long list of future work was left unfinished when this project was unexpectedly terminated.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Sequential programmable self-assembly: Role of cooperative interactions

Here, we propose a general strategy of “sequential programmable self-assembly” that enables a bottom-up design of arbitrary multi-particle architectures on nano- and microscales. We show that a naive realization of this scheme, based on the pairwise additive interactions between particles, has fundamental limitations that lead to a relatively high error rate. This can be overcome by using cooperative interparticle binding. The cooperativity is a well known feature of many biochemical processes, responsible, e.g., for signaling and regulations in living systems. Here we propose to utilize a similar strategy for high precision self-assembly, and show that DNA-mediated interactions provide a convenient platform for its implementation. In particular, we outline a specific design of a DNA-based complex which we call “DNA spider,” that acts as a smart interparticle linker and provides a built-in cooperativity of binding. We demonstrate versatility of the sequential self-assembly based on spider-functionalized particles by designing several mesostructures of increasing complexity and simulating their assembly process. This includes a number of finite and repeating structures, in particular, the so-called tetrahelix and its several derivatives. Due to its generality, this approach allows one to design and successfully self-assemble virtually any structure made of a “GEOMAG” magnetic construction toy, out of nanoparticles. According to our results, once the binding cooperativity is strong enough, the sequential self-assembly becomes essentially error-free.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

STRESS AND DISTORTION SIMULATION OF ADDITIVE MANUFACTURING PROCESS BY HIGH PERFORMANCE COMPUTING

Numerical simulation is an efficient way to better understand the thermal and mechanical evolution during additive manufacturing (AM) and to design and optimize the process. However, with today’s computational tools, pass-by-pass thermal-mechanical numerical simulation of the AM process is extremely time-consuming. In this study, a new finite element code recently developed in house at Oak Ridge National Lab was used for additive manufacturing simulation. Our new code effectively utilizes GPU based high-performance computers to allow for realistic simulation of the transient thermal and mechanical response of materials during additive manufacturing. A benchmark study on a cylinder model by powder bed selective laser melting was carried out and distortion profile was compared to the experimental measurements. The accuracy and efficiency of the code was also demonstrated by analyzing a wire and arc additive manufacturing (WAAM) model which consists of a base plate and four deposited layers.

Huang, Hui↗
NASA NTRS2002

Manufacturing Process Simulation of Large-Scale Cryotanks

NASA's Space Launch Initiative (SLI) is an effort to research and develop the technologies needed to build a second-generation reusable launch vehicle. It is required that this new launch vehicle be 100 times safer and 10 times cheaper to operate than current launch vehicles. Part of the SLI includes the development of reusable composite and metallic cryotanks. The size of these reusable tanks is far greater than anything ever developed and exceeds the design limits of current manufacturing tools. Several design and manufacturing approaches have been formulated, but many factors must be weighed during the selection process. Among these factors are tooling reachability, cycle times, feasibility, and facility impacts. The manufacturing process simulation capabilities available at NASA's Marshall Space Flight Center have played a key role in down selecting between the various manufacturing approaches. By creating 3-D manufacturing process simulations, the varying approaches can be analyzed in a virtual world before any hardware or infrastructure is built. This analysis can detect and eliminate costly flaws in the various manufacturing approaches. The simulations check for collisions between devices, verify that design limits on joints are not exceeded, and provide cycle times which aid in the development of an optimized process flow. In addition, new ideas and concerns are often raised after seeing the visual representation of a manufacturing process flow. The output of the manufacturing process simulations allows for cost and safety comparisons to be performed between the various manufacturing approaches. This output helps determine which manufacturing process options reach the safety and cost goals of the SLI.

Babai, Majid↗
NASA NTRS2003

Manufacturing Process Simulation of Large-Scale Cryotanks

NASA's Space Launch Initiative (SLI) is an effort to research and develop the technologies needed to build a second-generation reusable launch vehicle. It is required that this new launch vehicle be 100 times safer and 10 times cheaper to operate than current launch vehicles. Part of the SLI includes the development of reusable composite and metallic cryotanks. The size of these reusable tanks is far greater than anything ever developed and exceeds the design limits of current manufacturing tools. Several design and manufacturing approaches have been formulated, but many factors must be weighed during the selection process. Among these factors are tooling reachability, cycle times, feasibility, and facility impacts. The manufacturing process simulation capabilities available at NASA.s Marshall Space Flight Center have played a key role in down selecting between the various manufacturing approaches. By creating 3-D manufacturing process simulations, the varying approaches can be analyzed in a virtual world before any hardware or infrastructure is built. This analysis can detect and eliminate costly flaws in the various manufacturing approaches. The simulations check for collisions between devices, verify that design limits on joints are not exceeded, and provide cycle times which aide in the development of an optimized process flow. In addition, new ideas and concerns are often raised after seeing the visual representation of a manufacturing process flow. The output of the manufacturing process simulations allows for cost and safety comparisons to be performed between the various manufacturing approaches. This output helps determine which manufacturing process options reach the safety and cost goals of the SLI. As part of the SLI, The Boeing Company was awarded a basic period contract to research and propose options for both a metallic and a composite cryotank. Boeing then entered into a task agreement with the Marshall Space Flight Center to provide manufacturing simulation support. This paper highlights the accomplishments of this task agreement, while also introducing the capabilities of simulation software.

Babai, Majid↗
NASA NTRS2013

Designing Scenarios for Controller-in-the-Loop Air Traffic Simulations

Within the Human Factors Division at NASA Ames Research Center the Airspace Operations Laboratory (AOL) is developing advanced automation concepts that help to transform the National Airspace System into NextGen, the Next Generation Air Transportation System. High-fidelity human-in-the-loop (HITL) simulations are used as a means to investigate and develop roles, responsibilities, support tools, and requirements for human operators and automation. This paper describes the traffic scenario design process and strategies as used by AOL researchers. Details are presented on building scenarios for specific simulation objectives using various design strategies. A focus is set on creating scenarios based on recorded real world traffic for terminal-area simulations.

scenario design↗
NASA NTRS2008

A Lunar Surface Operations Simulator

The Lunar Surface Operations Simulator (LSOS) is being developed to support planning and design of space missions to return astronauts to the moon. Vehicles, habitats, dynamic and physical processes and related environment systems are modeled and simulated in LSOS to assist in the visualization and design optimization of systems for lunar surface operations. A parametric analysis tool and a data browser were also implemented to provide an intuitive interface to run multiple simulations and review their results. The simulator and parametric analysis capability are described in this paper.

Nayar, H.↗
DOE OSTI2020

BioSTEAM-LCA: An Integrated Modeling Framework for Agile Life Cycle Assessment of Biorefineries under Uncertainty

Biorefineries will play a critical role in sustainable bioeconomies, but projections of their environmental impacts vary widely. A core challenge with life cycle assessments (LCAs) of biorefineries is that they are often disconnected from biorefinery design, simulation, and techno-economic analysis (TEA). This lack of integration is a barrier to early stage technology and process evaluations, reducing consistency and transparency across sustainability indicators while limiting our understanding of the relative importance of individual factors (e.g., design decisions, greenhouse gas emission accounting procedures), how these factors interact, and trade-offs or synergies with process economics. In this study, we propose a new agile LCA framework, BioSTEAMLCA, which layers onto BioSTEAM (Biorefinery Simulation and Techno-Economic Analysis Modules, which automates biorefinery design, simulation, and TEA) to characterize the environmental impacts of biorefineries across a landscape of designs, technology performance assumptions, and contexts. Inventory databases and impact assessment methods are integrated to enable flexible user defined LCA system models, and the implications of uncertainties throughout the production system are characterized via Monte Carlo simulation. To demonstrate the capabilities of BioSTEAMLCA, we present a case study for sugarcane ethanol production. Overall, BioSTEAM-LCA enables computationally efficient, agile gate-to-gate LCA to evaluate biorefinery processes, the production of candidate biofuels and bioproducts, and trade-offs among productivity, economics, and environmental impacts under uncertainty.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Interactive Mesh Generation and Comparison Tools for Nuclear Energy Advanced Modeling & Simulation Phase I. Final Report

The promise of computer simulations for nuclear reactor designs is the opportunity to speed up the design process while also improving safety, providing more detail and higher fidelity, reducing cost, minimizing schedule risk, and avoiding many other potential problems; because simulations have the potential to be much less expensive and time-consuming than traditional development – where scale models and physical tests require construction and long lead times – it is possible to consider more alternatives and complete more comprehensive assessments before the design is finalized and constructed. As more design scenarios are studied by simulation, the speed that simulations promise is only available as long as bottlenecks are addressed for these scenarios. A frequent bottleneck is the amount of human labor required to describe the shape of the objects being designed and decompose the shape into simple elements, such as hexahedra, that are small enough to capture the physical phenomena of interest without being so small that even fast computers cannot perform the simulation in a reasonable amount of time. Recently, techniques for creating all-hexahedral decompositions have been developed, but they require some human input. Many simulation codes prefer all-hexahedral decompositions, so we proposed to evaluate the feasibility of these techniques on nuclear reactor geometries to see whether they required too much human input to be commercially viable. Our study concluded that they can be made viable with some additional software tools to reduce the amount of user input required.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2003

Development of an Output-based Adaptive Method for Multi-Dimensional Euler and Navier-Stokes Simulations

The use of computational simulations in the prediction of complex aerodynamic flows is becoming increasingly prevalent in the design process within the aerospace industry. Continuing advancements in both computing technology and algorithmic development are ultimately leading to attempts at simulating ever-larger, more complex problems. However, by increasing the reliance on computational simulations in the design cycle, we must also increase the accuracy of these simulations in order to maintain or improve the reliability arid safety of the resulting aircraft. At the same time, large-scale computational simulations must be made more affordable so that their potential benefits can be fully realized within the design cycle. Thus, a continuing need exists for increasing the accuracy and efficiency of computational algorithms such that computational fluid dynamics can become a viable tool in the design of more reliable, safer aircraft. The objective of this research was the development of an error estimation and grid adaptive strategy for reducing simulation errors in integral outputs (functionals) such as lift or drag from from multi-dimensional Euler and Navier-Stokes simulations. In this final report, we summarize our work during this grant.

Darmofal, David L.↗
DOE OSTI2012

Portals 4 network API definition and performance measurement

Portals is a low-level network programming interface for distributed memory massively parallel computing systems designed by Sandia, UNM, and Intel. Portals has been designed to provide high message rates and to provide the flexibility to support a variety of higher-level communication paradigms. This project developed and analyzed an implementation of Portals using shared memory in order to measure and understand the impact of using general-purpose compute cores to handle network protocol processing functions. The goal of this study was to evaluate an approach to high-performance networking software design and hardware support that would enable important DOE modeling and simulation applications to perform well and to provide valuable input to Intel so they can make informed decisions about future network software and hardware products that impact DOE applications.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Identifying Entangled Physics Relationships Through Sparse Matrix Decomposition to Inform Plasma Fusion Design

We report a sustainable burn platform through inertial confinement fusion (ICF) has been an ongoing challenge for over 50 years. Mitigating engineering limitations and improving the current design involves an understanding of the complex coupling of physical processes. While sophisticated simulation codes are used to model ICF implosions, these tools contain necessary numerical approximation but miss physical processes that limit predictive capability. Identification of relationships between controllable design inputs to ICF experiments and measurable outcomes (e.g., neutron yield, neutron velocity, areal density) from performed experiments can help guide the future design of experiments and development of simulation codes, to potentially improve the accuracy of the computational models used to simulate ICF experiments. We use sparse matrix decomposition methods to identify clusters of a few related design variables. Sparse principal component analysis (SPCA) identifies groupings that are related to the physical origin of the variables (laser, hohlraum, and capsule). A variable importance analysis finds that in addition to variables highly correlated with neutron yield, such as picket power and laser energy, variables that represent a dramatic change of the ICF design, such as number of pulse steps, are also very important. The obtained sparse components are then used to train a random forest (RF) regression surrogate for predicting total yield. The RF performance on the training and testing data compares with the performance of the RF trained using all the design variables considered. This work is intended to inform design changes in future ICF experiments by augmenting the expert intuition and simulation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING↗
NASA NTRS2000

Applying Multiagent Simulation to Planetary Surface Operations

This paper describes a multiagent modeling and simulation approach for designing cooperative systems. Issues addressed include the use of multiagent modeling and simulation for the design of human and robotic operations, as a theory for human/robot cooperation on planetary surface missions. We describe a design process for cooperative systems centered around the Brahms modeling and simulation environment being developed at NASA Ames.

Sierhuis, Maarten↗
DOE OSTI2015

Simulation and characterization of a laterally-driven inertial micro-switch

A laterally-driven inertial micro-switch was designed and fabricated using surface micromachining technology. The dynamic response process was simulated by ANSYS software, which revealed the vibration process of movable electrode when the proof mass is shocked by acceleration in sensitive direction. The test results of fabricated inertial micro-switches with and without anti-shock beams indicated that the contact process of micro-switch with anti-shock beams is more reliable than the one without anti-shock beams. The test results indicated that three contact signals had been observed in the contact process of the inertial switch without anti-shock beams, and only one contact signal in the inertial switch with anti-shock beams, which demonstrated that the anti-shock beams can effectively constrain the vibration in non-sensitive direction.

36 MATERIALS SCIENCE↗