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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Non-local corrections to the typical medium theory of Anderson localization

We use the recently developed finite cluster typical medium approach to study the Anderson localization transition in three dimensions. Applying our method to the box and binary alloy disorder distributions, we find a fast convergence with the cluster size. We demonstrate the importance of the typical medium environment and the non-local spatial correlations for the proper characterization of the localization transition. As the cluster size increases, our typical medium cluster method recovers the correct critical disorder strength for the transition. Our findings highlight the importance of the non-local cluster corrections for capturing the localization behavior of the mobility edge trajectories. Our results demonstrate that the typical medium cluster approach developed here provides a consistent and systematic description of the Anderson localization transition in the framework of the effective medium embedding schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Analysis of the shifted boundary method for the Stokes problem

The analysis of stability and accuracy of the shifted boundary method is developed for the Stokes flow equations. The key feature of the shifted boundary method, an embedded finite element method, is the shifting of the location where boundary conditions are applied from the true to a surrogate boundary, and an appropriate modification (shifting) of the value of the boundary conditions. An inf–sup condition is proved for the variational formulation associated to the shifted boundary method and we derive, by way of Strang’s second lemma, an optimal error estimate in the natural SBM norm. Here we also derive an L 2 -error estimate for the velocity field, by means of an extension of the Aubin–Nitsche approach to embedded, non-consistent, mixed finite element methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A reduced-order shifted boundary method for parametrized incompressible Navier–Stokes equations

Here, we investigate a projection-based reduced order model of the steady incompressible Navier–Stokes equations for moderate Reynolds numbers. In particular, we construct an “embedded” reduced basis space, by applying proper orthogonal decomposition to the Shifted Boundary Method, a high-fidelity embedded method recently developed. We focus on the geometrical parametrization through level-set geometries, using a fixed Cartesian background geometry and the associated mesh. This approach avoids both remeshing and the development of a reference domain formulation, as typically done in fitted mesh finite element formulations. Two-dimensional computational examples for one and three parameter dimensions are presented to validate the convergence and the efficacy of the proposed approach.

"embedded" basis↗
DOE OSTI2022

Modeling wave propagation in elastic solids via high-order accurate implicit-mesh discontinuous Galerkin methods

Here, a high-order accurate implicit-mesh discontinuous Galerkin framework for wave propagation in single-phase and bi-phase solids is presented. The framework belongs to the embedded-boundary techniques and its novelty regards the spatial discretization, which enables boundary and interface conditions to be enforced with high-order accuracy on curved embedded geometries. High-order accuracy is achieved via high-order quadrature rules for implicitly-defined domains and boundaries, whilst a cell-merging strategy addresses the presence of small cut cells. The framework is used to discretize the governing equations of elastodynamics, written using a first-order hyperbolic momentum-strain formulation, and an exact Riemann solver is employed to compute the numerical flux at the interface between dissimilar materials with general anisotropic properties. The space-discretized equations are then advanced in time using explicit high-order Runge–Kutta algorithms. Several two- and three-dimensional numerical tests including dynamic adaptive mesh refinement are presented to demonstrate the high-order accuracy and the capability of the method in the elastodynamic analysis of single- and bi-phases solids containing complex geometries.

42 ENGINEERING↗
DOE OSTI2017

A CPS Based Optimal Operational Control System for Fused Magnesium Furnace

Fused magnesia smelting for fused magnesium furnace (FMF) is an energy intensive process with high temperature and comprehensive complexities. Its operational index namely energy consumption per ton (ECPT) is defined as the consumed electrical energy per ton of acceptable quality and is difficult to measure online. Moreover, the dynamics of ECPT cannot be precisely modelled mathematically. The model parameters of the three-phase currents of the electrodes such as the molten pool level, its variation rate and resistance are uncertain and nonlinear functions of the changes in both the smelting process and the raw materials composition. In this paper, an integrated optimal operational control algorithm proposed is composed of a current set-point control, a current switching control and a self-optimized tuning mechanism. The tight conjoining of and coordination between the computational resources including the integrated optimal operational control, embedded software, industrial cloud, wireless communication and the physical resources of FMF constitutes a cyber-physical system (CPS) based embedded optimal operational control system. Successful application of this system has been made for a production line with ten fused magnesium furnaces in a factory in China, leading to a significant reduced ECPT.

Cyber-Physical Systems↗
DOE OSTI2023

A high order Cartesian grid, finite volume method for elliptic interface problems

We present a higher-order finite volume method for solving elliptic PDEs with jump conditions on interfaces embedded in a 2D Cartesian grid. Second, fourth, and sixth order accuracy is demonstrated on a variety of tests including problems with high-contrast and spatially varying coefficients, large discontinuities in the source term, and complex interface geometries. We include a generalized truncation error analysis based on cell-centered Taylor series expansions, which then define stencils in terms of local discrete solution data and geometric information. In the process, we develop a simple method based on Green's theorem for computing exact geometric moments directly from an implicit function definition of the embedded interface. This approach produces stencils with a simple bilinear representation, where spatially-varying coefficients and jump conditions can be easily included and finite volume conservation can be enforced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Integrating fiber optic sensors into metallic components for sensing in harsh environments

The integration of fiber optic sensors into high-temperature materials is critical for real-time monitoring and autonomous operation of engineering systems. This study demonstrated a spark plasma sintering (SPS)-assisted embedding process for integrating sapphire fiber optic sensors into stainless steel components during part fabrication. Optical fibers were encapsulated in stainless steel 316L powders which were sintered at different fabrication conditions using SPS to investigate the effects of sintering parameters on the embedment. Measurements of optical transmittance, combined with microstructural analysis (X-ray computed tomography and scanning electron microscopy) and mechanical testing (tensile and microhardness), were conducted to examine the fiber functionality, fiber–matrix bonding quality, and properties of the sintered materials. Here, the results show that under suitable fabrication conditions, intact optical fibers can be encapsulated in highly-densified (>98 % relative density) stainless steel components. These conditions also led to a good bond at the fiber–matrix interface with micron-sized material interdiffusion across the interface. The sintering parameters were observed to affect fiber optical attenuation, where high temperature, pressure, and hold time during SPS enhanced fiber–matrix bonding and adversely affected optical transmission. Tensile testing confirmed the superior tensile strength and ductility of the matrix fabricated by SPS. Furthermore, the materials exhibited limited strength reduction (~70 MPa) upon the integration of fibers. This study demonstrates the effectiveness of SPS for fiber-material integration for high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Evaluation of Maxim Module-Integrated Electronics at the DOE Regional Test Centers: Preprint

Module-embedded power electronics developed by Maxim Integrated are under evaluation through a partnership with the Department of Energy's Regional Test Center (RTC) program. Field deployments of both conventional modules and electronics-enhanced modules are designed to quantify the performance advantage of Maxim's products under different amounts of inter-row shading, and their ability to be deployed at a greater ground-coverage-ratio than conventional modules. Simulations in PVSYST have quantified the predicted performance difference between conventional modules and Maxim's modules from inter-row shading. Initial performance results have identified diffuse irradiance losses at tighter row spacing for both the Maxim and conventional modules. Comparisons with published models show good agreement with models predicting the greatest diffuse irradiance losses. At tighter row spacing, all of the strings equipped with embedded power electronics outperformed their conventional peers. An even greater performance advantage is predicted to occur in the winter months when the amount of inter-row shading mismatch is at a maximum.

14 SOLAR ENERGY↗
DOE OSTI2022

Unstructured clinical notes within the 24 hours since admission predict short, mid & long-term mortality in adult ICU patients

Mortality prediction for intensive care unit (ICU) patients is crucial for improving outcomes and efficient utilization of resources. Accessibility of electronic health records (EHR) has enabled data-driven predictive modeling using machine learning. However, very few studies rely solely on unstructured clinical notes from the EHR for mortality prediction. In this work, we propose a framework to predict short, mid, and long-term mortality in adult ICU patients using unstructured clinical notes from the MIMIC III database, natural language processing (NLP), and machine learning (ML) models. Depending on the statistical description of the patients’ length of stay, we define the short-term as 48-hour and 4-day period, the mid-term as 7-day and 10-day period, and the long-term as 15-day and 30-day period after admission. We found that by only using clinical notes within the 24 hours of admission, our framework can achieve a high area under the receiver operating characteristics (AU-ROC) score for short, mid and long-term mortality prediction tasks. The test AU-ROC scores are 0.87, 0.83, 0.83, 0.82, 0.82, and 0.82 for 48-hour, 4-day, 7-day, 10-day, 15-day, and 30-day period mortality prediction, respectively. We also provide a comparative study among three types of feature extraction techniques from NLP: frequency-based technique, fixed embedding-based technique, and dynamic embedding-based technique. Lastly, we provide an interpretation of the NLP-based predictive models using feature-importance scores.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

INL High Level Language Microcontroller Implementa

The overall goal of this project is to improve the security of embedded devices (microcontrollers) used in monitoring and control of energy-sector infrastructure. As these devices are essentially scaled-down personal computers (PCs), they are vulnerable to common low-level cyber-attacks such as buffer overflows and insecure authentication. The implementation of a modern high-level programming language on these microcontrollers would disallow such low-level attacks as the languages would have inherent safeguards against these types of cyber exploits. Idaho National Laboratory (INL) has partnered with Siemens Corporate Research (SCR) to develop and test a 4 th -generation language DNP3 implementation on real-world embedded hardware. These tests were carried out on control-system device models currently deployed in real-world applications. Testing was performed with existing C-based DNP implementation as well as the Python version developed by INL.

4GL↗
DOE OSTI2015

Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presented in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Development of Integrated Die Casting Process for Large Thin-Wall Magnesium Applications

The purpose of this project was to develop a process and product which would utilize magnesium die casting and result in energy savings when compared to the baseline steel product. The specific product chosen was a side door inner panel for a mid-size car. The scope of the project included: re-design of major structural parts of the door, design and build of the tooling required to make the parts, making of parts, assembly of doors, and testing (both physical and simulation) of doors. Additional work was done on alloy development, vacuum die casting, and overcasting, all in order to improve the performance of the doors and reduce cost. The project achieved the following objectives: 1. Demonstrated ability to design a large thin-wall magnesium die casting. 2. Demonstrated ability to manufacture a large thin-wall magnesium die casting in AM60 alloy. 3. Tested via simulations and/or physical tests the mechanical behavior and corrosion behavior of magnesium die castings and/or lightweight experimental automotive side doors which incorporate a large, thin-wall, powder coated, magnesium die casting. Under some load cases, the results revealed cracking of the casting, which can be addressed with re-design and better material models for CAE analysis. No corrosion of the magnesium panel was observed. 4. Using life cycle analysis models, compared the energy consumption and global warming potential of the lightweight door with those of a conventional steel door, both during manufacture and in service. Compared to a steel door, the lightweight door requires more energy to manufacture but less energy during operation (i.e., fuel consumption when driving vehicle). Similarly, compared to a steel door, the lightweight door has higher global warming potential (GWP) during manufacture, but lower GWP during operation. 5. Compared the conventional magnesium die casting process with the “super-vacuum” die casting process. Results achieved with cast tensile bars suggest some improvement in tensile properties with vacuum casting. Plant trials with large castings revealed cavity fill issues attributed to cooling and partial solidification of metal in the shot sleeve while waiting for vacuum to be established in the die cavity. 6. Developed age-hardenable Mg-based alloys as potential alternatives to the AM60 and AZ91 alloys typically used in automotive applications. Mg-7%Al-based alloys having Sn or Sn+Si additions exhibited significant age hardening, but more work is needed to demonstrate significant improvement in tensile properties. Corrosion behavior of these alloys is between those of AM60 and AZ91 alloys. 7. Evaluated the die casting of magnesium directly onto either steel or aluminum tubes as a potential process to make large lightweight subassemblies. Samples were free of gross defects, but additional work is needed to increase the interfacial shear strength. Overall, the project demonstrated that an automotive door-in-white design incorporating a die cast magnesium inner panel and a stamped aluminum outer panel can achieve approximately 50% mass reduction compared to the stamped steel baseline door-in-white. This leads to reduced energy consumption when driving the vehicle, which should more than offset the increased embedded energy of manufacture associated with the lighter metals. However, additional design work would be needed in order to meet the mechanical performance required of a door. Development of high-strength, high-ductility magnesium alloy castings would help make this technology more attractive for potential use in the side doors on automobiles. Also, increased use of recycled magnesium and aluminum would reduce the embedded energy and greenhouse gas emissions associated with the manufacture of this type of lightweight door. Commercialization planning of the type of lightweight door technology addressed in this project would be contingent upon the doors meeting all technical performance requirements of the car maker. The specific lightweight door developed in this project didn’t meet some of those requirements, but a preliminary business case study was conducted anyhow. This study considered the ratio of cost increase to mass decrease when the lightweight door is compared to a baseline steel door. The ratio was found to be in an acceptable range for some vehicle programs, especially if the number of such vehicles to be produced is equal to or slightly less than the estimated 250,000-shot life of the die set. This would allow for the investment in the dies to be spread across many parts and thereby help minimize the cost increase.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

FY18 J23X PSDT Final Report: Shock Initiation of PBX 9502 Lot HOL88H891-008

This report details a series of plate impact experiments on the insensitive explosive PBX 9502 (95% TATB, 5% Kel-F 800) with lot number HOL88H891-008. This is a ’virgin’ lot (no recycled material used), for which many detonation performance measurements are available; the addition of these 1-D shock initiation experiments will aid model calibration efforts for this material. Samples were machined from isostatically-pressed billets with anominal density of 1.89 g/cc. The evolution of the shock to a detonation was characterized by 9 embedded magnetic particle velocity gauges, and 116 embedded magnetic time of arrival gauges (AKA shock trackers). Pho-ton Doppler velocimetry (PDV) with a LiF window was used at the back surface of the samples to capture the wave profile exiting the sample. Six experiments were performed, covering a pressure range of 10.8–18.6 GPa and run distances to detonation of 2.7–12.2+ mm. The shock initiation of this lot is found to be consistent with Pop plots reported for other lots of PBX 9502. All data have been uploaded to the LANL Small Scale Database for use by the research community.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

FY18 J23X PDZG Final Report: Double Shock Initiation of PBX 9502 Lot HOL88H891-008

Heterogeneous high explosives subjected to sub-critical shock waves are known to exhibit desensitization to later shock inputs. While it is believed that this phenomenon is due to the removal of hot spot forming features in the explosive by the initial sub-critical shock, the effect of the time delay between the shocks is poorly understood. This report details a series of double shock plate impact experiments that vary the time between similar shocks to explore the time dependance of this shock desensitization process. These experiments were performed on the insensitive explosive PBX 9502 (95% TATB, 5% Kel-F 800) with lot number HOL88H891-008. The evolution of the shocks to a detonation was characterized by 9 embedded magnetic particle velocity gauges, and 116 embedded magnetic time of arrival gauges (AKA shock trackers). Photon Doppler velocimetry (PDV) with a LiF window was used at the back surface of the samples to capture the wave profile exiting the sample. Three double shock experiments were performed, with first and second shock pressures of 8.3 GPa and 16.5 GPa, respectively. An analogous single shock experiment at 16.3 GPa was also performed. The double shock experiments exhibited small levels of reaction during the initial shock,and shock desensitization to the second shock. Run distances after shock coalescence were shorter than those expected for a single shock, indicating the shock to detonation transition (SDT) process was slightly further along due to partial reaction in the first shock wave. These data will be used to calibrate model behavior under multiple-shock conditions. Additional double shock data will be collected to further explore this area in FY2019. All data have been uploaded to the LANL Small Scale Database for use by the research community.

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

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Chemistry is considered as one of the more promising applications to science of near-term quantum computing. Recent work in transitioning classical algorithms to a quantum computer has led to great strides in improving quantum algorithms and illustrating their quantum advantage. Because of the limitations of near-term quantum computers, the most effective strategies split the work over classical and quantum computers. There is a proven set of methods in computational chemistry and materials physics that has used this same idea of splitting a complex physical system into parts that are treated at different levels of theory to obtain solutions for the complete physical system for which a brute force solution with a single method is not feasible. These methods are variously known as embedding, multi-scale, and fragment techniques and methods. We review these methods and then propose the embedding approach as a method for describing complex biochemical systems, with the parts not only treated with different levels of theory, but computed with hybrid classical and quantum algorithms. Such strategies are critical if one wants to expand the focus to biochemical molecules that contain active regions that cannot be properly explained with traditional algorithms on classical computers. While we do not solve this problem here, we provide an overview of where the field is going to enable such problems to be tackled in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Exploring the Value of Learned Representations for Automated Syndromic Definitions

Objective: To better define and automate biosurveillance syndrome categorization using modern unsupervised vector embedding techniques. Introduction: Comprehensive medical syndrome definitions are critical for outbreak investigation, disease trend monitoring, and public health surveillance. However, because current definitions are based on keyword string-matching, they may miss important distributional information in free text and medical codes that could be used to build a more general classifier. Here, we explore the idea that individual ICD codes can be categorized by examining their contextual relationships across all other ICD codes. We extend previous work in representation learning with medical data [1] by generating dense vector embeddings of these ICD codes found in emergency department (ED) visit records. The resulting representations capture information about disease co-occurrence that would typically require SME involvement and support the development of more robust syndrome definitions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Evaluation of Maxim Module-Integrated Electronics at the DOE Regional Test Centers (Presentation)

Module-embedded power electronics developed by Maxim Integrated are under evaluation through a partnership with the Department of Energy's Regional Test Center (RTC) program. Field deployments of both conventional modules and electronics-enhanced modules are designed to quantify the performance advantage of Maxim's products under different amounts of interrow shading, and their ability to be deployed at a greater ground-coverage ratio than conventional modules. Simulations in PVSYST have quantified the predicted performance difference between conventional modules and Maxim's modules from interrow shading. Initial performance results have identified diffuse irradiance losses at tighter row spacing for both the Maxim and conventional modules. Comparisons with published models show good agreement with models predicting the greatest diffuse irradiance losses. At tighter row spacing, all of the strings equipped with embedded power electronics outperformed their conventional peers. An even greater performance advantage is predicted to occur in the winter months when the amount of interrow shading mismatch is at a maximum.

14 SOLAR ENERGY↗
DOE OSTI2016

Simulation of orographic effects with a Quasi-3-D Multiscale Modeling Framework: Basic algorithm and preliminary results

Here, the global atmospheric models based on the Multi-scale Modeling Framework (MMF) are able to explicitly resolve subgrid-scale processes by using embedded 2-D Cloud-Resolving Models (CRMs). Up to now, however, those models do not include the orographic effects on the CRM grid scale. This study shows that the effects of CRM grid-scale orography can be simulated reasonably well by the Quasi-3-D MMF (Q3D MMF), which has been developed as a second-generation MMF. In the Q3D framework, the surface topography can be included in the CRM component by using a block representation of the mountains, so that no smoothing of the topographic height is necessary. To demonstrate the performance of such a model, the orographic effects over a steep mountain are simulated in an idealized experimental setup with each of the Q3D MMF and the full 3-D CRM. The latter is used as a benchmark. Comparison of the results shows that the Q3D MMF is able to reproduce the horizontal distribution of orographic precipitation and the flow changes around mountains as simulated by the 3-D CRM, even though the embedded CRMs of the Q3D MMF recognize only some aspects of the complex 3-D topography. It is also shown that the use of 3-D CRMs in the Q3D framework, rather than 2-D CRMs, has positive impacts on the simulation of wind fields but does not substantially change the simulated precipitation.

54 ENVIRONMENTAL SCIENCES↗