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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Three-dimensional flow model development for thermal mixing and stratification modeling in reactor system transients analyses

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties. An advanced system analysis tool, SAM, is being developed at Argonne National Laboratory for advanced non-LWR reactor safety analysis. While SAM is being developed as a system-level modeling and simulation tool, a reduced-order three-dimensional module is under development to model the mull-dimensional flow and thermal mixing and stratification in large enclosures of reactor systems. This paper provides an overview of the three-dimensional finite element flow model in SAM, including the governing equations, stabilization scheme, and solution methods. Additionally, several verification and validation tests are presented, including lid-driven cavity flow, natural convection inside a cavity, laminar flow in a channel of parallel plates. Here, based on the comparisons with the analytical solutions and experimental results, it is demonstrated that the developed 3-D fluid model can perform very well for a wide range of flow problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Advanced Model Developments in SAM for Thermal Stratification Analysis during Reactor Transients

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Development of a Reduced-Order Three-Dimensional Flow Model for Thermal Mixing and Stratification Simulation during Reactor Transients

Mixing, thermal-stratification, and mass transport phenomena in large pools or enclosures play major roles for the safety of reactor systems. Depending on the fidelity requirement and computational resources, various modeling methods, from the 0-D perfect mixing model to 3-D Computational Fluid Dynamics (CFD) models, are available. Each is associated with its own advantages and shortcomings. It is very desirable to develop an advanced and efficient thermal mixing and stratification modeling capability embedded in a modern system analysis code to improve the accuracy of reactor safety analyses and to reduce modeling uncertainties. An advanced system analysis tool, SAM, is being developed at Argonne National Laboratory for advanced non-LWR reactor safety analysis. While SAM is being developed as a system-level modeling and simulation tool, a reduced-order three-dimensional module is under development to model the multi-dimensional flow and thermal mixing and stratification in large enclosures of reactor systems. This paper provides an overview of the three-dimensional finite element flow model in SAM, including the governing equations, stabilization scheme, and solution methods. Additionally, several verification and validation tests are presented, including lid-driven cavity flow, natural convection inside a cavity, laminar flow in a channel of parallel plates. Based on the comparisons with the analytical solutions and experimental results, it is demonstrated that the developed 3-D fluid model can perform very well for a wide range of flow problems.

Hu, Rui↗
DOE OSTI2019

Photonic thermal conduction by infrared plasmonic resonators in semiconductor nanowires

Photons typically do not contribute to thermal transport within a solid due to their low energy density and tendency to be absorbed quickly. In this article, we propose a practical material system—infrared plasmonic resonators embedded in a semiconductor nanowire—that leverages near-field electromagnetic coupling to achieve photonic thermal transport comparable to the electronic and phononic contributions. We analytically show photonic thermal conductivities up to about 1 W m -1 K -1 for 10 nm diameter Si and InAs nanowires containing repeated resonators at 500 K. Finally, the nanowire system outperforms plasmonic particles in isotropic environments and presents a pathway for photonic thermal transport to exceed that of phonons and electrons.

42 ENGINEERING↗
DOE OSTI2015

Development of intelligent instruments with embedded HTTP servers for control and data acquisition in a cryogenic setup—The hardware, firmware, and software implementation

The power of Ethernet for control and automation technology is being largely understood by the automation industry in recent times. Ethernet with HTTP (Hypertext Transfer Protocol) is one of the most widely accepted communication standards today. Ethernet is best known for being able to control through internet from anywhere in the globe. The Ethernet interface with built-in on-chip embedded servers ensures global connections for crate-less model of control and data acquisition systems which have several advantages over traditional crate-based control architectures for slow applications. This architecture will completely eliminate the use of any extra PLC (Programmable Logic Controller) or similar control hardware in any automation network as the control functions are firmware coded inside intelligent meters itself. Here, we describe the indigenously built project of a cryogenic control system built for linear accelerator at Inter University Accelerator Centre, known as “CADS,” which stands for “Complete Automation of Distribution System.” CADS deals with complete hardware, firmware, and software implementation of the automated linac cryogenic distribution system using many Ethernet based embedded cryogenic instruments developed in-house. Each instrument works as an intelligent meter called device-server which has the control functions and control loops built inside the firmware itself. Dedicated meters with built-in servers were designed out of ARM (Acorn RISC (Reduced Instruction Set Computer) Machine) and ATMEL processors and COTS (Commercially Off-the-Shelf) SMD (Surface Mount Devices) components, with analog sensor front-end and a digital back-end web server implementing remote procedure call over HTTP for digital control and readout functions. At present, 24 instruments which run 58 embedded servers inside, each specific to a particular type of sensor-actuator combination for closed loop operations, are now deployed and distributed across control LAN (Local Area Network). A group of six categories of such instruments have been identified for all cryogenic applications required for linac operation which were designed to build this medium-scale cryogenic automation setup. These devices have special features like remote rebooters, daughter boards for PIDs (Proportional Integral Derivative), etc., to operate them remotely in radiation areas and also have emergency switches by which each device can be taken to emergency mode temporarily. Finally, all the data are monitored, logged, controlled, and analyzed online at a central control room which has a user-friendly control interface developed using LabVIEW{sup ®}. This paper discusses the overall hardware, firmware, software design, and implementation for the cryogenics setup.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Backpack Laser Induced Breakdown Spectroscopy: Atomic Emission Analysis System User's Manual

The backpack LIBS (Laser Induced Breakdown Spectroscopy) system is designed to provide rapid, in-field, elemental analysis of environmental samples important to the safeguarding of special nuclear materials. Currently, environmental elemental analysis is performed by collection, packaging, and shipping of samples to an approved analytical laboratory for analysis. This practice can take days to months, if not longer, to complete and is also costly, especially if some of the samples are contaminated with actinide elements. The backpack LIBS system is designed to be user friendly, with several integrated safety features making the system safe to operate under normal conditions. Operators should be aware that this system contains a Class IV embedded laser. Since safety interlock features, both software and hardware, have been integrated into the system, no laser safety eyewear is required. Depending upon the intended use and analysis scenario, most analyses can be completed in a matter of minutes. The complete system is operated from battery power in a standalone mode and weighs approximately 25 pounds. The nominal operational lifetime of the backpack LIBS system is approximately 3.5 hours.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Methodology for Mechanical Property Testing on Fuel Cladding Using an Expanded Plug Wedge Test

To determine the tensile properties of irradiated fuel cladding in a hot cell, a simple test was developed at ORNL and is described fully in US Patent Application 20060070455, Expanded plug method for developing circumferential mechanical properties of tubular materials. This method is designed for testing fuel rod cladding ductility in a hot cell utilizing an expandable plug to stretch a small ring of irradiated cladding material. The specimen strain is determined using the measured diametrical expansion of the ring. This method removes many complexities associated with specimen preparation and testing. The advantages are the simplicity of measuring the test component assembly in the hot cell and the direct measurement of specimen strain. It was also found that cladding strength could be determined from the test results. The basic approach of this test method is to apply an axial compressive load to a cylindrical plug of polyurethane (or other materials) fitted inside a short ring of the test material to achieve radial expansion of the specimen. The diameter increase of the specimen is used to calculate the circumferential strain accrued during the test. The other two basic measurements are total applied load and amount of plug compression (extension). A simple procedure is used to convert the load circumferential strain data from the ring tests into material pseudo-stress-strain curves. However, several deficiencies exist in this expanded-plug loading ring test, which will impact accuracy of test results and introduce potential shear failure of the specimen due to inherited large axial compressive stress from the expansion plug test. First of all, the highly non-uniform stress and strain distribution resulted in the gage section of the clad. To ensure reliable testing and test repeatability, the potential for highly non-uniform stress distribution or displacement/strain deformation has to be eliminated at the gage section of the specimen. Second, significant compressive stresses were induced by clad bending deformation due to a clad bulging effect (or the barreling effect). The barreling effect caused very large localized shear stress in the clad and left testing material at a high risk of shear failure. The above combined effects will result in highly non-conservative predictions both in strength and ductility of the tested clad, and the associated mechanical properties as well. To overcome/mitigate the mentioned deficiencies associated with the current expansion plug test, systematic studies have been conducted. Through detailed parameter investigation on specific geometry designs, careful filtering of material for the expansion plug, as well as adding newly designed parts to the testing system, a method to reconcile the potential non-conservatism embedded in the expansion plug test system has been discovered. A modified expansion plug testing protocol has been developed based on the method. In order to closely resemble thin-wall theory, a general procedure was also developed to determine the hoop stress $\sigma_\theta$ in the tested ring specimen. A scaling factor called $\chi$-factor is defined to correlate the ring load F ring into hoop stress $\sigma_\theta$, and written as $\sigma_\theta = \chi \frac{F_{ring}} {tl}$. The generated stress-strain curve agrees very well with tensile test data in both the elastic and plastic regions.

expansion plug test↗
DOE OSTI2016

Urban gray vs. urban green vs. soil protection — Development of a systemic solution to soil sealing management on the example of Germany

Managing urban soil sealing is a difficult venture due to its spatial heterogeneity and embedding in a socio-ecological system. A systemic solution is needed to tackle its spatial, ecological and social sub-systems. This study develops a guideline for urban actors to find a systemic solution to soil sealing management based on two case studies in Germany: Munich and Leipzig. Legal-planning, informal-planning, economic-fiscal, co-operative and informational responses were evaluated by indicators to proof which strategy considers the spatial complexity of urban soil sealing (systemic spatial efficiency) and, while considering spatial complexity, to assess what the key management areas for action are to reduce the ecological impacts by urban soil sealing (ecological impact efficiency) and to support an efficient implementation by urban actors (social implementation efficiency). Results suggest framing the systemic solution to soil sealing management through a cross-scale, legal-planning development strategy embedded in higher European policies. Within the socio-ecological system, the key management area for action should focus on the protection of green infrastructure being of high value for actors from the European to local scales. Further efforts are necessary to establish a systemic monitoring concept to optimize socio-ecological benefits and avoid trade-offs such as between urban infill development and urban green protection. This place-based study can be regarded as a stepping stone on how to develop systemic strategies by considering different spatial sub-targets and socio-ecological systems. - Highlights: • Urban soil sealing management is spatially complex. • The legal-planning strategy supports a systemic sealing management. • Urban green infrastructure protection should be in the management focus. • Soil protection requires policies from higher levels of government. • A systemic urban soil sealing monitoring concept is needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Two-dimensional electron gas in monolayer InN quantum wells

We report in this letter experimental results that confirm the two-dimensional nature of the electron systems in a superlattice structure of 40 InN quantum wells consisting of one monolayer of InN embedded between 10 nm GaN barriers. The electron density and mobility of the two-dimensional electron system (2DES) in these InN quantum wells are 5 × 10{sup 15 }cm{sup −2} (or 1.25 × 10{sup 14 }cm{sup −2} per InN quantum well, assuming all the quantum wells are connected by diffused indium contacts) and 420 cm{sup 2}/Vs, respectively. Moreover, the diagonal resistance of the 2DES shows virtually no temperature dependence in a wide temperature range, indicating the topological nature of the 2DES.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Where do galaxies end?

Our current view of galaxies considers them as systems of stars and gas embedded in extended halos of dark matter, much of it formed by the infall of smaller systems at earlier times. The true extent of a galaxy remains poorly determined, with the 'virial radius' (R {sub vir}) providing a characteristic separation between collapsed structures in dynamical equilibrium and external infalling matter. Other physical estimates of the extent of gravitational influence include the gravitational radius, gas accretion radius, and 'galactopause' arising from outflows that stall at 100-200 kpc over a range of outflow parameters and confining gas pressures. Physical criteria are proposed to define bound structures, including a more realistic definition of R {sub vir}(M {sub *}, M{sub h} , z{sub a} ) for stellar mass M {sub *} and halo mass M{sub h} , half of which formed at 'assembly redshifts' ranging from z{sub a} ≈ 0.7-1.3. We estimate the extent of bound gas and dark matter around L* galaxies to be ∼200 kpc. The new virial radii, with mean (R {sub vir}) ≈ 200 kpc, are 40%-50% smaller than values estimated in recent Hubble Space Telescope/Cosmic Origins Spectrograph detections of H I and O VI absorbers around galaxies. In the new formalism, the Milky Way stellar mass, log M {sub *} = 10.7 ± 0.1, would correspond to R{sub vir}=153{sub −16}{sup +25} kpc for half-mass halo assembly at z{sub a} = 1.06 ± 0.03. The frequency per unit redshift of low-redshift O VI absorption lines in QSO spectra suggests absorber sizes ∼150 kpc when related to intervening 0.1L* galaxies. This formalism is intended to clarify semantic differences arising from observations of extended gas in galactic halos, circumgalactic medium (CGM), and filaments of the intergalactic medium (IGM). Astronomers should refer to bound gas in the galactic halo or CGM, and unbound gas at the CGM-IGM interface, on its way into the IGM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Residential (Secondary-Use) Energy Storage System with Modular Software and Hardware Power Electronic Interfaces

Secondary-use energy storage systems (ESS) are a potential low-cost energy storage system for the electric grid. These systems propose a low-cost solution to the challenge, what to do with electric vehicle batteries once EV end-of-life has been reached. However, the development of an ESS is complex by nature. Typically, the bidirectional power electronics conversion (PEC) system has hardware which includes power stages, auxiliary circuits, protection circuits, and the control interfaces all embedded and integrated as a system. This leads to interoperability challenges and vendor dependencies that increase balance of system costs. This paper proposes a modular approach of software and hardware interfaces to reduce the costs of an ESS.

Starke, Michael↗
DOE OSTI2025

Holographic Quantum Simulation of Strongly Correlated Electron Systems

The project aimed to demonstrate a new holographic quantum simulation approach and co‐ designed quantum hardware to tackle three specific problems that fall within the broad umbrella of unraveling the physics of strongly correlated electron systems (SCES). These tasks were: (1) holographic preparation of ground‐ and thermal‐ states of correlated magnetic and electronic systems including quasi‐2d frustrated‐spin, Fermi‐Hubbard, and fractional quantum Hall (FQH) systems, (2) holographic‐simulation of long‐time out‐of‐equilibrium dynamics and (3) holographic analogs of embedding methods such as dynamical mean‐ field theory (DMFT) and density‐matrix embedding theory (DMET) to solve systems with complex structure or long‐range interactions. These tasks are prototypes for the kinds of material simulation problems of interest to BES, such as the simulation of multiferroic materials, perovskite photovoltaics and high‐temperature superconductors, that tax the capabilities of the most powerful classical supercomputers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Co-variability of S 6+ , S 4+ , and S 2- in apatite as a function of oxidation state: Implications for a new oxybarometer

In this study, we use micro-X-ray absorption near-edge structures (μ-XANES) spectroscopy at the S K-edge to investigate the oxidation state of S in natural magmatic-hydrothermal apatite (Durango, Mexico, and Mina Carmen, Chile) and experimental apatites crystallized from volatile-saturated lamproitic melts at 1000 °C and 300 MPa over a broad range of oxygen fugacities [( Embedded Image , FMQ+1.2, FMQ+3; FMQ = fayalite-magnetite-quartz solid buffer]. The data are used to test the hypothesis that S oxidation states other than S6+ may substitute into the apatite structure. Peak energies corresponding to sulfate S6+ (~2482 eV), sulfite S4+ (~2478 eV), and sulfide S2- (~2470 eV) were observed in apatite, and the integrated areas of the different sulfur peaks correspond to changes in Embedded Image and bulk S content. Here, multiple tests confirmed that the S oxidation state in apatite remains constant when exposed to the synchrotron beam, at least for up to 1 h exposure (i.e., no irradiation damages). To our knowledge, this observation makes apatite the first mineral to incorporate reduced (S2-), intermediate (S4+), and oxidized (S6+) S in variable proportions as a function of the prevailing Embedded Image of the system. Apatites crystallized under oxidizing conditions (FMQ+1.2 and FMQ+3), where the S6+/STotal peak area ratio in the coexisting glass (i.e., quenched melt) is ~1, are dominated by S6+ with a small contribution of S4+, whereas apatites crystallizing at reduced conditions (FMQ) contain predominantly S2-, lesser amounts of S6+, and possibly traces of S4+. A sulfur oxidation state vs. S concentration analytical line transect across hydrothermally altered apatite from the Mina Carmen iron oxide-apatite (IOA) deposit (Chile) demonstrates that apatite can become enriched in S4+ relative to S6+, indicating metasomatic overprinting via a SO2-bearing fluid or vapor phase. This XANES study demonstrates that as the Embedded Image increases from FQM to FMQ+1.2 to FMQ+3 the oxidation state of S in igneous apatite changes from S2- dominant to S6+ > S4+ to S6+ >> S4+. Furthermore, these results suggest that spectroscopic studies of igneous apatite have potential to trace the oxidation state of S in magmas. The presence of three S oxidations states in apatite may in part explain the non-Henrian partitioning of S between apatite and melt. Our study reveals the potential to use the S signature of apatite to elucidate both oxygen and sulfur fugacity in magmatic and hydrothermal systems.

58 GEOSCIENCES↗
DOE OSTI2020

Quantum embedding for material chemistry based on domain separation and open subsystems

Our perspective considers two theories we recently proposed to perform quantum embedding calculations for chemical systems: domain-separated density functional theory (DSDFT) and locally coupled open subsystems (LCOS). The development includes both the fundamentals of each theory as well as potential applications, some technical aspects, and related challenges. DS-DFT is suited to study intramolecular effects, where one can apply a high level of theory (based on DFT or wave function theory) to a region of interest inside a molecule or solid, and lower level theory elsewhere, with smooth switching between the regions. LCOS, in contrast, is a fragment-based embedding which offers computational advantages to study intermolecular behavior such as electron hopping, spin-environment interaction, and charge transfer excitations. Yet, both theories can exchange roles when appropriate. In addition, these theories allow for control of computational scaling of their algorithms. We investigate paths to determine the charge-transfer operator used in LCOS, and suggest an auxiliary energy minimization that can provide a practical estimate to this operator. We also briefly discuss how to implement density fitting techniques in domain separation, and how domain separation can be used for pure wavefunction-based embedding.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Embedment of sensors in ceramic structures

Ceramic materials such as silicon carbide (SiC) are attractive for many nuclear applications due to their ability to withstand high temperatures, which inherently improve the thermal efficiency of the power conversion cycle and can in some cases provide high-temperature process heat. SiC is particularly attractive because of its high-temperature strength retention, stability under neutron irradiation, and low neutron absorption. The TCR program has recently demonstrated the ability to fabricate monolithic SiC components with complex geometries using a binder jet additive manufacturing technique followed by densification using chemical vapor infiltration (CVI). This technology presents an opportunity to embed sensors within ceramic components at critical locations that allow for enhanced process monitoring and control of advanced nuclear energy systems. The challenges with embedding sensors in ceramic components are to identify appropriate materials that can survive the CVI process, remain embedded after cooling to room temperature, and be suitable for operation in a high-temperature nuclear environment. This report summarizes the sensors that are being considered for embedding within ceramics, the sensor embedding process, material compatibility studies, and characterization of the embedded components. Material selection is first guided by computational thermodynamics and is confirmed by embedding coupons and examining material interactions using electron microscopy. This work shows that a wide range of refractory metals, as well as certain fiber optic sensors, can be successfully embedded in 3D-printed SiC. Future work will involve testing of functional sensors including thermocouples and optical fiber-based, spatially distributed temperature/strain sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Complex magnetic order in nickelate slabs

Here, magnetic ordering phenomena have a profound influence on the macroscopic properties of correlated-electron materials, but their realistic prediction remains a formidable challenge. An archetypical example is the ternary nickel oxide system RNiO 3 (R = rare earth), where the period-four magnetic order with proposals of collinear and non-collinear structures and the amplitude of magnetic moments on different Ni sublattices have been subjects of debate for decades. Here we introduce an elementary model system—NdNiO 3 slabs embedded in a non-magnetic NdGaO 3 matrix—and use polarized resonant X-ray scattering (RXS) to show that both collinear and non-collinear magnetic structures can be realized, depending on the slab thickness. The crossover between both spin structures is correctly predicted by density functional theory and can be qualitatively understood in a low-energy spin model. We further demonstrate that the amplitude ratio of magnetic moments in neighbouring NiO 6 octahedra can be accurately determined by RXS in combination with a correlated double cluster model. Targeted synthesis of model systems with controlled thickness and synergistic application of polarized RXS and ab initio theory thus provide new perspectives for research on complex magnetism, in analogy to two-dimensional materials created by exfoliation.

25 ENERGY STORAGE↗
DOE OSTI2019

From Stress Chains to Acoustic Emission

A numerical scheme using the combined finite-discrete element method is employed to study a model of an earthquake system comprising a granular layer embedded in a formation. When the formation is driven so as to shear the granular layer, a system of stress chains emerges. The stress chains endow the layer with resistance to shear and on failure launch broadcasts into the formation. Furthermore, these broadcasts, received as acoustic emission, provide a remote monitor of the state of the granular layer of the earthquake system.

58 GEOSCIENCES↗
DOE OSTI2024

HAPPA: A Modular Platform for HPC Application Resilience Analysis with LLMs Embedded

High-performance computing (HPC) systems are increasingly vulnerable to soft errors, which pose significant challenges in maintaining computational accuracy and reliability. Predicting the resilience of HPC applications to these errors is crucial for robust code protection and detailed resilience analysis. In this study, we present HAppA, a modular platform designed for HPC Application Resilience Analysis. Embedding Large Language Models (LLMs), HAppA addresses understanding the context information of long code sequences typical in HPC applications. HAppA implements a novel code representation module that chunks the code into fixed-size segments and aggregates the embeddings of these segments. Three aggregation methods have been explored: MeanPooling, MaxPooling, and LSTM-based techniques. We built a DAtaset for REsilience analysis using Fault Injection (FI), named DARE. Using our DARE dataset, HAppA is trained for regression prediction tasks. Our evaluation results demonstrate the predictive accuracy of HAppA compared to other models, particularly noting that the LSTM-based aggregation method -- HAppA-LSTM -- achieves a mean squared error (MSE) of 0.078 for SDC prediction, surpassing the existing state-of-the-art PARIS model, which recorded an MSE of 0.1172. Additionally, HAppA with the KeyBERT model extracts a list of keywords representing the source code. A comprehensive importance analysis of these keywords further elucidates the code patterns contributing to the error rate. These findings highlight the effectiveness of HAppA in analyzing the resilience of HPC applications and establish a new benchmark for predictive accuracy in resilience.

Jiang, Hailong [Kent State University]↗