Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “computational models”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

K-Modules

K-Modules are capacitive energy modules designed to be stacked together to form a capacitor bank (aka a Marx bank). Discharging the stack produces a single, high voltage, high current pulse that when coupled to an X-ray (or electron) tube, produces energetic X-rays (or an intense electron beam, E-beam). The energetic X-rays are used in Flash X-ray Radiography (FXR), a technique to image objects moving at extremely high speed to measure their speed, shape and internal density profiles. The images help validate computer models for materials behavior under extreme pressure and temperature. FXR is a technology critical to dynamic experiments for the national security mission, and most users are DOE and DOD labs. Febetrons, the X-ray generating devices, are used at these sites and rely on capacitive energy modules for their operation. A stack of the newly developed K-modules will significantly extend the capabilities of these Febetrons

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Cooperative Research and Development Agreement among National Energy Technology Laboratory, Advanced Manufacturing LLC, and Connecticut Center for Advanced Technology [Abstract]

The National Energy Technology Laboratory (NETL), Advanced Manufacturing LLC (AMLLC) and Connecticut Center for Advanced Technology (CCAT) will collaborate to develop and manufacture cost-effective, oxide dispersion-strengthened, NiCrFeCo-rich high entropy alloys that are superior to Nickel-based superalloys (e.g. IN740) for repair or replacement service in extreme environments. The new alloys can result in higher efficiency and reduced cost of advanced power systems such as advanced ultra-supercritical (AUSC) boilers and gas turbines. High throughput, multiscale computational modeling will be performed to accelerate alloy discovery by interrogating the intrinsic properties of the alloys including thermodynamic, kinetic, and mechanical properties. Validation and evaluation will be performed, including additive manufacturing, microstructure characterization, and mechanical properties tests.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cooperative Research and Development Agreement between National Energy Technology Laboratory and Princeton University (Abstract)

The National Energy Technology Laboratory (NETL) and Princeton University will collaborate in the development of microwave-plasma technology to convert methane into hydrogen and valuable solid carbon materials. The effort will combine NETL’s vast resources for microwave-enhanced process development, characterization, and design with Princeton University’s extensive expertise in the study of non-equilibrium plasmas employing supersonic nozzles. Lab-scale experiments will be conducted for different conditions to convert and compare their respective performance in hydrogen production. Computational modeling will be performed to verify results from experimental studies conducted in both labs.

08 HYDROGEN↗
DOE OSTI2022

Benchmark Specifications for Select Experiments Conducted at the Kansas State University Gallium Thermal-hydraulic Experiment Facility

The Department of Energy (DOE) – Nuclear Energy University Programs (NEUP) supported the creation and operation of the Gallium Thermal-hydraulic Experiment (GaTE) facility at Kansas State University (KSU) as part of a larger effort to understand thermal stratification behavior in liquid-metal-cooled reactors. GaTE was designed to simulate transients in a reactor plenum that are known to cause thermal stratification. High-reliability and high-resolution measurements describing stratification behavior in the coolant were collected for use as experimental benchmarks in validation efforts for computational models. The results of these tests contribute to a greater understanding of thermal stratification behavior of liquid metal under various configurations and operating conditions. This report provides a complete description of the benchmark problem, including all necessary details and description of a set of four forced flow and four natural circulation tests and measured data for comparison with model results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Benchmark Specification for Select Experiments Conducted at the University of Wisconsin-Madison Thermal Stratification Test Facility

The Department of Energy (DOE)-Nuclear Energy University Programs (NEUP) supported the creation and operation of the Thermal Stratification Test Facility (TSTF) at the University of Wisconsin Madison (UWM) as part of a larger effort to understand thermal stratification behavior in liquid-metal-cooled reactors. The TSTF was designed to simulate transients in a reactor plenum that are known to cause thermal stratification. High-reliability and high-resolution measurements of the flow and temperature were collected for use as experimental benchmarks to support validation efforts for computational models. The results of these tests contribute to the greater understanding of thermal stratification behavior of liquid sodium under various configurations and operating conditions. The six TSTF tests selected for benchmarking are a set of forced circulation tests at a fixed flow rate with different Upper Internal Structure (UIS) configurations in the test section (no UIS, solid UIS, and a UIS with flow area of 4, 8, 12, and 100%). This report provides a complete description of the benchmark problems, including all key test facility details, descriptions of each test condition, and measured data for comparison with modeled results.

42 ENGINEERING↗
DOE OSTI2022

High-Temperature Gas-Cooled Reactor Research Survey and Overview: Preliminary Data Platform Construction for the Nuclear Energy University Program

Since the U.S. Department of Energy Office of Nuclear Energy initiated the Nuclear Energy University Program (NEUP) in 2009, there are 29 NEUP projects focusing on high-temperature gas-cooled reactor (HTGR) research up to July 2022. The resultant research product, either experimental or computational, were published as final NEUP reports, journal articles and conference proceedings. However, these federally funded products have been scattered and sometimes cannot be easily accessed. To improve access to this valuable HTGR validation data and optimize the return on the significant investment made by the Department of Energy, the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program started a survey of completed and ongoing HTGR NEUP projects to develop a public-access database specific for HTGRs applications that can be used to retrieve computational fluid dynamics and system code validation data. This effort will help guide future NEUP-funded research, define new state of the ART Phenomena Identification and Ranking Table (PIRT), and promote the usage of this data in the codes validation matrices. This report provides an overview of the NEUP-funded HTGR-related research projects from Fiscal Year (FY) 2009–2021 and identifies validation knowledge gaps still existing in HTGR thermal-fluid research. A preliminary data platform has been developed for the 29 NEUP projects investigating HTGR thermal hydraulics, including their final reports as well as the available scientific publications. As an ultimate goal for this work, the ART-GCR program will create a central database at Idaho National Laboratory to identify, organize, and store these datasets generated by experimental investigations or computational models, experimental facility descriptions, and publicly-available academic products from the HTGR-related NEUP projects and provide future guidance for the storage and transmission of important project documentations for later NEUP projects as well.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Cooperative Research and Development Agreement between National Energy Technology Laboratory and ATI Specialty Alloys & Components (Abstract)

The National Energy Technology Laboratory (NETL) and ATI will collaborate on improving the computational capabilities for predicting elevated temperature strength and phase stability for refractory-based alloys. Increasing the efficiency and decreasing harmful emissions from turbines for power generation and aviation applications will require materials beyond superalloys to accommodate higher turbine combustion and inlet temperatures. Higher strength refractory alloys are a potential enabling technology for these highly efficient, low emission, advanced turbines. The development of higher strength refractory alloys will be aided by improved and validated computational models to predict elevated temperature strength.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Combining Physics and Machine Learning for the Next Generation of Molecular Simulation

Simulating molecules and atomic systems at quantum accuracy is a grand challenge for science in the 21 st century. Quantum-accurate simulations would enable the design of new medicines and the discovery of new materials. The defining problem in this challenge is that quantum calculations on large molecules, like proteins or DNA, are fundamentally impossible with current algorithms. In this work, we explore a range of different methods that aim to make large, quantum-accurate simulations possible. We show that using advanced classical models, we can accurately simulate ion channels, an important biomolecular system. We show how advanced classical models can be implemented in an exascale-ready software package. Lastly, we show how machine learning can learn the laws of quantum mechanics from data and enable quantum electronic structure calculations on thousands of atoms, a feat that is impossible for current algorithms. Altogether, this work shows that combining advances in physics models, computing, and machine learning, we are moving closer to the reality of accurately simulating our molecular world.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

High Strength Steel-Aluminum Components by Vaporizing Foil Actuator Welding

This project aimed to address the challenge of effectively welding dissimilar materials—high-strength steel and high-strength aluminum for creating lightweight, multi-material automotive components. For automotive companies, reducing weight of a vehicle is critical task regulated by the government to solve the issue of greenhouse gas emissions. Production of lightweight cars and trucks can be achieved by substitution of current all-steel structures with multi-material lightweight structures that include high strength-to-weight-ration materials such as high-strength steels, aluminum alloys, magnesium alloys, titanium alloys, coupled with lightweight designs. This requires dissimilar metal welding, which is challenging for state of the art joining processes such as resistance spot welding. The cycle of melting-cooling-freezing during traditional welding that can easily ruin the designed outstanding properties of the advanced base metals, such as aluminum alloys, making the welded area much weaker than the base metals. To weld two different metals with great difference in melting points, such as aluminum and steel, it’s even more difficult or impossible because of the formation of brittle intermetallic compounds at the welded interface. In this project, a novel welding method, developed at OSU, was selected for validation and development. This novel technology enables welding by impact without melting and proves to be robust to join various dissimilar lightweight metals. Termed as vaporizing foil actuator welding or VFAW, the technology uses a thin aluminum foil that is rapidly vaporized by a high current pulse to produce an explosive-like pressure pulse to drive one metallic piece into another at the high speed required for impact welding. This project entailed development of the early-stage welding technology in terms of (a) the consumables, the welding apparatus and the power sources, (b) coupon scale screening of many material combinations including corrosion studies, (c) computational modeling and design of the welded interface as well as of the multi-material prototype component, and (d) mechanical testing for strength and durability at coupon scale and to a certain extent the prototype scale. The all-steel engine cradle of 2016 Chevrolet Cruze was chosen as the baseline prototype component. The target set for the project was to demonstrate a 20% weight reduction at a cost premium of less than $\$ $5/lb saved without compromising on baseline mechanical properties. At project completion, a 12% lighter prototype component was demonstrated with an estimated cost premium of $\$ $9.8/lb saved. Besides prototype level demonstration of the technology, this project also enabled elevation of the technology’s readiness level to where a hydraulically actuated welding head was developed and made ready for deployment at a research and development facility for Tier 1 automotive supplier.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Role of heating and turbulent heat transfer in HE burning and detonation

Enhanced heat transfer model has been developed due to the turbulence in the cracks and pores in the burning fractured HE. This turbulence then serves in the initialization of the turbulence in the product gas. Enhanced heat transfer is also modeled in the turbulent product gas. Numerical simulations of the onset of HE burning and transition to detonation have been performed with and without the turbulent heat transfer model. Computational results indicate that onset of chemical reactions and transition to detonation is induced by the shockwave formed by the pressure rise caused by the heating. In other words, processes similar to shock-to-detonation transition (SDT) could become the driving mechanism for HE explosion and detonation in the case of heating rather than the temperature alone.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Improved Chemical Kinetics and Algorithms for More Accurate, Faster Simulations

Internal combustion engine design is increasingly driven by computational models used to predict change in performance as a result of design changes, which previously would have been made by limited intuition or expensive and time-consuming physical testing. Improved model capabilities shorten design cycles and enable the production of cleaner and more efficient engines. This project focuses on advancing the state-of-the-art in internal combustion engine simulations. The overarching goal is to enable predictive models and reduced time to solution for simulations that impact combustion engine design.

02 PETROLEUM↗
DOE OSTI2022

LLNL Explosives Anisotropy Research

Lawrence Livermore National Laboratory scientists and engineers led a multi-institutional team in executing a series of high explosives tests that successfully demonstrated fundamental principles of anisotropy, a possible enabler for improved weapon and munition safety. Working under snowy and frigid conditions on Idaho’s Snake River Plain, a 13-member team from LLNL carried out 52 explosives shots over four days in mid-November at the Idaho National Laboratory’s (INL) National Security Test Range (NSTR) to complete the study. The broader anisotropy (ANISO) team included high explosives handlers and volunteers from INL, Los Alamos National Laboratory, Marine Raiders from the Marine Special Operations Command and members of the U.S. Special Operations Command. The purpose of the study was to explore theoretical methods of creating anisotropic explosives — explosives that perform differently depending on the direction the detonation wave moves through the explosive — by engineering certain physical features in the charges and obtaining basic data from testing. The work is part of an overall effort by the Lab to develop anisotropic explosives that could be used in munitions to reduce the severity and lethality of an unintended detonation without sacrificing performance. The data gathered from the study will be used to design and construct follow-on experiments at LLNL’s High Explosives Applications Facility (HEAF) and validate computer models for future anisotropic assemblies.

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

Improved Chemical Kinetics and Algorithms for More Accurate, Faster Simulations

Internal combustion engine design is increasingly driven by computational models used to predict change in performance due to change of design. The design process previously depended on limited intuition and expensive and time-consuming physical testing. Improved model capabilities shorten design cycles and enable the production of cleaner and more efficient engines. This project focuses on advancing the state of the art in internal combustion engine simulations. The overarching goal is to enable predictive models and reduced time to solution for simulations that impact combustion engine design.

02 PETROLEUM↗
DOE OSTI2023

Fabricating Single Crystal Quantum Dot Solids

The central goal of this research program was to establish fundamental synthesis and processing principles to enable the fabrication of single crystal quantum dot solids (QDS) with programmable structure (i.e., hexagonal and square) and composition. Our approach towards that goal leveraged access to and experience with unique in-situ, multi-probe characterization techniques to understand and ultimately control the fundamental relationship between processing conditions and nucleation and growth of QDS. The program integrated synthesis and fabrication (Hanrath) with in-situ TEM analysis (Kourkoutis) and computational modeling (Clancy) to gain atomic-level insights into the underlying physical phenomena governing assembly and attachment and to guide the development of optimized processing methods. We have established a foundational understanding of physicochemical interactions of self-assembly at a fluid interface, superlattice structure transformation pathways, the critical role of disorder during the initial dimerization of colloidal quantum dot monomers, and the residual strain distribution within the inter-dot epitaxial bridge which hampers the formation of novel electronics states of the quantum dot solids. Collectively, these insights have contributed towards advancing the mechanistic understanding of the complex choreography of assembly and attachment as well as understanding what currently limits further advances in high-fidelity quantum dot solids and tiles.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reliability Estimation for One-Shot Devices (Rev. 1)

We present an engineering-oriented summary of statistical methods for estimation of the reliability (or equivalently, failure probability) of one-shot devices such as explosive detonators and other weapon components. Estimates may be given as single points or intervals, based on pass/fail tests, margin analysis, computational models, expert judgment, or a combination of these. We focus on highly reliable devices for which few or no failures are expected to occur in testing.

42 ENGINEERING↗
DOE OSTI2023

Design of an Integrated Solids Handling System to Maximize Syngas Process Reliability (Cooperative Research and Development Final Report)

The National Renewable Energy Laboratory (NREL), in partnership with Wonderful Renewable Energy (WRE) and Idaho National Laboratory (INL), plans to develop a general methodology for designing integrated biorefinery solids preprocessing, handling, and feeding systems based on the chemical, physical, and mechanical attributes of the starting biomass material. This attribute-driven approach will include detailed feedstock property measurements, iterative computational modeling, and bench-scale testing to design systems for preprocessing, handling, and reactor in-feed, up to and including the selection of the conversion reactor. The initial tests and system design will be conducted using waste material from almond and pistachio growing and production operations (shells, hulls, and wood), targeting the conversion of this material to syngas for electricity production. The methodology will then be generalized to other feedstocks. The purpose of this project is to design an integrated solids handling system to maximize the process reliability of converting almond and pistachio waste to electricity. The design methodology and workflow developed from this example will then be applied to the Feedstock Conversion Interface Consortium (FCIC) benchmark loblolly pine residues, thus demonstrating the robustness of the overall design approach and providing insight and guidance for future conversion systems. V-Grid Energy Systems was brought on as a subcontractor to provide gasifiers and labor to complete gasifier runs.

09 BIOMASS FUELS↗
DOE OSTI2023

Study of The Compression of an Imploding Plasma and the Magnetic- Field Flux Using Advanced, Non-Intrusive, Spectroscopic Techniques

The main motivation of the project was to measure the magnetic field in pulsed power driven plasma compression using advanced non-intrusive spectroscopic techniques. The strength of the project is that it encompasses a combination of laboratory experiments with diagnostics for both the magnetic field and plasma properties and computational modeling. The following issues were addressed: (1) Plasma and magnetic field dynamics, (2) Field compression and diffusion, (3) Energy balance in the system, (4) Onset of instabilities, and (5) Correlation of the plasma and field evolutions with the initial conditions. The unique feature of the research was the use of advanced spectroscopy to measure both the magnetic field and various plasma properties in multiple locations using both side-on and end-on views, simultaneously. The experimental system allowed for imploding different gas mixtures (which facilitated local measurements) and for flexibility in modifying the initial conditions. Two current generators were used with significantly different current rise times (200 ns and 1.6 µs) but at the same current level of 400 kA. The slower pulsed power generator (at rise time 1.6 µs) was based at the Weizmann Institute of Science (WIS) and imploded plasma into which an axial magnetic field (up to 1 T) was initially embedded. The faster current rise time generator (at rise time 200 ns) based at University of California San Diego (UCSD) was used for plasma parameter studies initially, with collaborative efforts we successfully implemented the advanced spectroscopy techniques at UC San Diego. One graduate student (Nick Aybar) and a postdoctoral scholar (Maylis Dozeries) were trained. They both are based at the Lawrence Livermore National Laboratory now.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Advanced Structured Adsorbent Architectures for Transformative Carbon Dioxide Capture Performance (Final Report)

Svante is a world leader at using solid sorbents for low-cost Carbon Dioxide (CO 2 ) capture, a technology which is recognized as critical in meeting the dual mandates of energy security/reliability and the mitigation of man-made CO 2 emissions. Svante has been developing proprietary adsorbent material compositions, forming them into structured laminates, developing and optimizing process cycles, and system design for efficient capture of CO 2 from post-combustion flue gases of thermal power plants and industrial facilities. The deployment of first-generation CO 2 capture technology has been significantly hampered by high costs and energy penalties, among other barriers. Second generation CO 2 capture technologies (including the Mark I variant of Svante’s Veloxotherm™ adsorption-based technology), utilizing single adsorbent architecture, show promise for reducing the barriers to deploying CO 2 capture plants in commercially meaningful numbers. The objective of this project was to evaluate the Recipient’s transformational (Mark-II) VeloxoTherm™ Technology via the development and bench-scale testing of an advanced structured adsorbent, including novel Bi-layer, laminated adsorbent structures and segmented beds. Svante selected, synthesized, and characterized tailored solid adsorbents for computational modeling, advanced structured adsorbent development, process simulations, and dynamic bench scale (~1-10 kg/day CO 2 captured) testing using an existing single-bed VeloxoTherm™ Station (VTS) coupled with a natural gas-fired boiler. Segmented beds used the in-house, multi-bed Process Demonstration Unit (PDU) to demonstrate key performance indicators (KPIs), such as recovery, product purity, regeneration energy, and the integrated system's productivity in lifetime analysis. Segmented beds were used at a 1 tonne per day (TPD) unit at an industrial site to provide bench-scale validation of performance in an industrial setting. Svante was developing and optimizing the post-combustion CO 2 adsorption technology architectures, including the Bi-layer and segmented laminated adsorbent structure design, integrated rapid cycle temperature swing adsorption (RC-TSA) cycle, flow path architecture, and adsorbent bed construction and packaging (including gas porting) to progress towards achievement of DOE’s Transformational CO 2 Capture goals of 95% CO 2 purity and a cost of electricity at least 30% lower than a supercritical Pulverized Coal (PC) power plant with CO 2 capture, or approximately $30 per tonne of CO 2 captured ready for demonstration by 2030. The main requirements to reach the DOE target cost of carbon capture below $30/MT using Rapid-Cycling Temperature Swing Adsorption (RC-TSA) are as follows: (1) Increased capacity at different CO 2 concentrations, (2) Increased sorbents cycle life, (3) Increased O 2 resistance, and (4) Decreased steam requirement to extract 1 kg of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗