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At least 1,747 records · Page 97

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DOE OSTI2015

Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations

The photophysics of the Green Fluorescent Protein (GFP) chromophore is critically dependent on its local structure and on its environment. Despite extensive experimental and computational studies, there remain many open questions regarding the key fundamental variables that govern this process. One outstanding problem is the role of autoionization as a possible relaxation pathway of the excited state under different environmental conditions. This issue is considered in our work through combined experimental and theoretical studies of microsolvated clusters of the deprotonated p-hydroxybenzylidene-2,3-dimethylimidazolinone anion (HBDI{sup −}), an analog of the GFP chromophore. Through selective generation of microsolvated structures of predetermined size and subsequent analysis of experimental photoelectron spectra by high level ab initio methods, we are able to precisely identify the structure of the system, establish the accuracy of theoretical data, and provide reliable description of auto-ionization process as a function of hydrogen-bonding environment. Our study clearly illustrates the first few water molecules progressively stabilize the excited state of the chromophore anion against the autodetached neutral state, which should be an important trait for crystallographic water molecules in GFPs that has not been fully explored to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Evaluating Energy Impacts and Costs from PV Component Failures

The PV Reliability PerformanceModel (PV-RPM) tool is used to simulate the cost and energy impacts of component faults and failures for a hypothetical PV system. This model, originally developed by Sandia National Laboratories, is a new feature in the National Renewable Energy Laboratory's System Advisor Model (SAM), which performs stochastic analysissampling of probability distributions for faults, failures, and repairs. One PV system was created for this analysis to be representative of a portfolio of maintenance data maintained by Sandia National Laboratories. Fault,failure, and repair distributions from this system are varied from current baseline conditions to simulate different reliability and repair scenarios and resulting energy and cost impacts. Results highlight ways to express the uncertainty around PV system performance when considering the probabilistic behavior of components inthe system, and ways the PV-RPM model can be used to explore different failure and repair scenarios.

14 SOLAR ENERGY↗

DOE OSTI2016

On the applicability of surrogate-based Markov chain Monte Carlo-Bayesian inversion to the Community Land Model: Case studies at flux tower sites: SURROGATE-BASED MCMC FOR CLM

The Community Land Model (CLM) has been widely used in climate and Earth system modeling. Accurate estimation of model parameters is needed for reliable model simulations and predictions under current and future conditions, respectively. In our previous work, a subset of hydrological parameters has been identified to have significant impact on surface energy fluxes at selected flux tower sites based on parameter screening and sensitivity analysis, which indicate that the parameters could potentially be estimated from surface flux observations at the towers. To date, such estimates do not exist. In this paper, we assess the feasibility of applying a Bayesian model calibration technique to estimate CLM parameters at selected flux tower sites under various site conditions. The parameters are estimated as a joint probability density function (PDF) that provides estimates of uncertainty of the parameters being inverted, conditional on climatologically-average latent heat fluxes derived from observations. We find that the simulated mean latent heat fluxes from CLM using the calibrated parameters are generally improved at all sites when compared to those obtained with CLM simulations using default parameter sets. Further, our calibration method also results in credibility bounds around the simulated mean fluxes which bracket the measured data. The modes (or maximum a posteriori values) and 95% credibility intervals of the site-specific posterior PDFs are tabulated as suggested parameter values for each site. Analysis of relationships between the posterior PDFs and site conditions suggests that the parameter values are likely correlated with the plant functional type, which needs to be confirmed in future studies by extending the approach to more sites.

Huang, Maoyi↗

DOE OSTI2020

Accomplishments and Mid-Year Performance Report: Wind Energy Program Fiscal Year 2020

Through transformative science and innovation, the U.S. Department of Energy's (DOE's) National Wind Technology Center (NWTC) at the National Renewable Energy Laboratory's (NREL's) Flatirons Campus helps lead the way to a sustainable energy future that powers America with significant levels of reliable, low-cost, and accessible wind energy. Since 1976, NREL has provided an ideal environment for the research and development (R&D) of advanced energy technologies through: Wind energy resource assessments, World-class research facilities, High-performance computing and modeling, Data and technology analysis, Manufacturing breakthroughs, Environmental analysis and wildlife conservation efforts, Education and training programs for a future workforce. These activities enable the innovations needed to advance U.S. wind systems, address market and deployment barriers, and drive down the cost of wind energy with more efficient, more reliable, and more predictable wind energy systems. This report provides an overview of the achievements NREL delivered on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during the first and second quarters of Fiscal Year (FY) 2020.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

DOE OSTI2017

Failures in Large Scale Systems: Long-term Measurement, Analysis, and Implications

Resilience is one of the key challenges in maintaining high efficiency of future extreme scale supercomputers. Researchers and system practitioners rely on field-data studies to understand reliability characteristics and plan for future HPC systems. In this work, we compare and contrast the reliability characteristics of multiple large-scale HPC production systems. Our study covers more than one billion compute node hours across five different systems over a period of 8 years. We confirm previous findings which continue to be valid, discover new findings, and discuss their implications.

Gupta, Saurabh↗

DOE OSTI2015

Thick Concrete Specimen Construction, Testing, and Preliminary Analysis

The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years. Since many important safety structures in an NPP are constructed of concrete, inspection techniques must be developed and tested to evaluate the internal condition. In-service containment structures generally do not allow for the destructive measures necessary to validate the accuracy of these inspection techniques. This creates a need for comparative testing of the various nondestructive evaluation (NDE) measurement techniques on concrete specimens with known material properties, voids, internal microstructure flaws, and reinforcement locations. A preliminary report detailed some of the challenges associated with thick reinforced concrete sections and prioritized conceptual designs of specimens that could be fabricated to represent NPP concrete structures for using in NDE evaluation comparisons. This led to the construction of the concrete specimen presented in this report, which has sufficient reinforcement density and cross-sectional size to represent an NPP containment wall. Details on how a suitably thick concrete specimen was constructed are presented, including the construction materials, final nominal design schematic, as well as formwork and rigging required to safely meet the desired dimensions of the concrete structure. The report also details the type and methods of forming the concrete specimen as well as information on how the rebar and simulated defects were embedded. Details on how the resulting specimen was transported, safely anchored, and marked to allow access for systematic comparative NDE testing of defects in a representative NPP containment wall concrete specimen are also given. Data collection using the MIRA Ultrasonic NDE equipment and initial results are also presented along with a discussion of the preliminary findings. Comparative NDE of various defects in reinforced concrete specimens is a key component in identifying the most promising techniques and directing the research and development efforts needed to characterize concrete degradation in commercial NPPs. This requires access to the specimens for data collection using state-of-the-art technology. The construction of the specimen detailed in this report allows for an evaluation of how different NDE techniques may interact with the size and complexities of NPP concrete structures. These factors were taken into account when determining specimen size and features to ensure a realistic design. The lateral dimensions of the specimen were also chosen to mitigate unrealistic boundary effects that would not affect the results of field NPP concrete testing. Preliminary results show that, while the current methods are able to identify some of the deeper defects, improvements in data processing or hardware are necessary to be able to achieve the precision and reliability achieved in evaluating thinner and less heavily reinforced concrete structures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Impacts of Substrate Thinning on FPGA Performance and Reliability [Slides]

Substrate thinning is necessary in devices with flip-chip BGA packages to enable both radiation testing and component qualification and high-spatial resolution beam-based failure analysis methods. We investigated three factors affecting device performance: subsurface damage from the thinning process, reduced heat spreading in thin substrates, and changes in device switching speed. We conclude subsurface damage to crystalline Si caused by the thinning process is removable with sufficient SiO 2 slurry polishing. Local temperature differences increase minimally in devices thinned to 3 μm. Compressive stress in the Si increases globally after device thinning and leads to slowing of ring oscillator frequency by about 0.5% compared to full-thickness devices. Future work will include extending the results to submicron Si thickness values, which also has important benefits for failure analysis, debug, and security assessments. We also plan to extend this type of work to other FPGAs and other devices like memory and processors.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Hardware-in-the-Loop Efficiency Analysis of Tidal Power Systems

Marine renewable energy presents an opportunity for sustainable power in areas located near and in the marine environment. In particular, tidal energy offers a consistent and reliable resource. However, tidal energy harvesting systems seeking to take advantage of this resource face challenges associated with power electronics. Power conversion electronics struggle with low efficiencies, lack of off-the-shelf options for small-scale energy harvesting systems, and limited opportunities for testing with deployed turbines. This work demonstrates a hardware-in-the-loop experimental design and methodology for characterizing efficiency of tidal turbine power electronics and control methods. The suggested method removes barriers to testing these power electronics by eliminating the need for a physical tidal turbine and generator to produce accurate harvested tidal power profiles.

tidal turbine, hardware-in-the-loop, energy conver↗

DOE OSTI2021

A REDUCED ORDER MODELING APPROACH TO PROBABILISTIC CREEP-DAMAGE PREDICTIONS IN FINITE ELEMENT ANALYSIS

This paper introduces a computationally efficient Reduced Order Modeling (ROM) approach for the probabilistic prediction of creep-damage failure. Component-level probabilistic simulations are needed to assess the reliability and safety of high-temperature components. Full-scale probabilistic creep-damage modeling in finite element (FE) approach is computationally expensive requiring many hundreds of simulations to replicate the uncertainty of component failure. To that end, ROM is proposed to minimize the elevated computational cost while controlling the loss of accuracy. It is proposed that full-scale probabilistic simulations can be completed in 1D at a reduced cost, the extremum conditions extracted, and those conditions applied for lower-cost 2D/3D probabilistic simulations of components that capture the mean and uncertainty of failure. The probabilistic Sine-hyperbolic (Sinh) model is selected which in previous work was calibrated to alloy 304 stainless steel. The Sinh model includes probability density functions (pdfs) for test condition (stress and temperature), initial damage (i.e. microstructure), and material properties uncertainty. The Sinh model is programmed into ANSYS finite element software using the USERCREEP.F material subroutine. First, the Sinh model and FE code are subject to verification and validation to ensure the accuracy of the simulations. Numerous Monte Carlo simulations are executed in a 1D model to generate probabilistic creep deformation, damage, and rupture data. This data is analyzed and the probabilistic parameters corresponding to extreme creep response are extracted. The ROM concept is applied where only the extreme conditions are applied in the 2D probabilistic prediction of a component. The probabilistic predictions between the 1D and 2D geometry is compared to assess ROM for creep. The accuracy of the probabilistic prediction employing the ROM approach will potentially reduce the time and cost of simulating complex engineering systems. Future studies will introduce multi-stage Sinh, stochasticity, and spatial uncertainty for improved prediction.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Power Grid Contingency Analysis with Machine Learning: A Brief Survey and Prospects

We briefly review previous applications of machine learning (ML) in power grid analyses and introduce our ongoing effort toward developing a generative-adversarial (GA) model for fast and reliable grid contingency analyses. According to our review, the persisting limitation of traditional ML techniques in grid analyses is the need for an exhaustive amount of training data for model generalization and accurate predictions. GA models overcome this limitation by first learning true data distribution from a small training set, from which new samples assimilating true data are generated with some variations. Subsequently, GA models can transfer learn or super-generalize with increased accuracy, that is, accurately predict n - (k + 2) contingencies from a small n - k training set and generated n - (k + 1) data. The joint effort between Idaho National Lab and Florida State University strives to develop a zero-shot and deep learning-based contingency analysis tool, named Smart Contingency Analysis Neural Network (SCANN), by leveraging the aforementioned advantages of GA models. The basic architecture of SCANN stems from the Latent Encoding of Atypical Perturbations network combined with an adversarial network, and it is designed to generate imbalanced power flow data from learned true data distributions for prediction purposes. Here we also introduce the abstract concept of resilience-chaos plots, a new resilience characterization tool proposed to complement SCANN by aiding in the assessment of large amounts of high-order contingency predictions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Data automation at light sources

Rapidly growing data volumes at light sources demand increasingly automated data collection, distribution, and analysis processes, in order to enable new scientific discoveries while not overwhelming finite human capabilities. We present here the case for automating and outsourcing light source science using cloud-hosted data automation and enrichment services, institutional computing resources, and high- performance computing facilities to provide cost-effective, scalable, and reliable implementations of such processes. We discuss three specific services that accomplish these goals for data distribution, automation, and transformation. In the first, Globus cloud-hosted data automation services are used to implement data capture, distribution, and analysis workflows for Advanced Photon Source and Advanced Light Source beamlines, leveraging institutional storage and computing. In the second, such services are combined with cloud-hosted data indexing and institutional storage to create a collaborative data publication, indexing, and discovery service, the Materials Data Facility (MDF), built to support a host of informatics applications in materials science. The third integrates components of the previous two projects with machine learning capabilities provided by the Data and Learning Hub for science (DLHub) to enable on-demand access to machine learning models from light source data capture and analysis workflows, and provides simplified interfaces to train new models on data from sources such as MDF on leadership scale computing resources. We draw conclusions about best practices for building next-generation data automation systems for future light sources.

Blaiszik, Ben↗

DOE OSTI2018

Renewable Energy Data, Analysis, and Decisions: A Guide for Practitioners

High-quality renewable energy resource data and other geographic information system (GIS) data are essential for the transition to a clean energy economy that prioritizes local resources, improves resiliency, creates jobs, and promotes energy independence. These data are crucial for making informed decisions—ranging from policy and investment decisions to reliable power sector planning. Decisions that are data-driven reflect appropriate ambition, maximize cost-effectiveness, and enable successful implementation of renewable energy investments. This guide is intended to support policymakers and planners, as well as technical experts, consultants, and academics in incorporating improved data and analysis into renewable energy decision-making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

Modification of MELCOR for severe accident analysis of candidate accident tolerant cladding materials

A number of materials are currently under development as candidate accident tolerant fuel and cladding for application in the current fleet of commercial light water reactors (LWRs). The safe, reliable and economic operation of the nation’s nuclear power reactor fleet has always been a top priority for the nuclear industry. Continual improvement of technology, including advanced materials and nuclear fuels, remains central to the industry’s success. Enhancing the accident tolerance of light water reactors became a topic of serious discussion following the 2011 Great East Japan Earthquake, resulting tsunami, and subsequent damage to the Fukushima Daiichi nuclear power plant complex. The overall goal for the development of accident tolerant fuel (ATF) systems for LWRs is to identify alternative fuel system technologies to further enhance the safety, competitiveness, and economics of commercial nuclear power. Designed for use in the current fleet of commercial LWRs, or in reactor concepts with design certifications (GEN-III+), to achieve their goal enhanced ATF must endure loss of active cooling in the reactor core for a considerably longer period of time than the current fuel system, while maintaining or improving performance during normal operation. Many available nuclear fuel performance analysis tools are specifically developed for the current UO 2 – Zirconium alloy fuel system. The MELCOR severe-accident analysis code, under development at the Sandia National Laboratory in New Mexico (SNL-NM) for the US Nuclear Regulatory Commission (NRC), is one of these tools. This article describes modifications made to a version of the MELCOR code by the Idaho National Laboratory (INL) that allows its application to alternate fuel-cladding systems. Preliminary analysis results are presented in this paper for candidate silicon carbide and FeCrAl cladding concepts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

High-Fidelity Analysis of EV Integration on Real Utility Feeders in Colorado

Residential electric vehicle (EV) charging has the potential to alter long-held assumptions on load characteristics impacting distribution grid planning, operations, and design standards. This study identifies analysis and control methods to increase the affordability of residential EV charging both for Xcel Energy and their customers. The project also provides solutions for more reliable grid interconnection that can support a reliable utility business model prepared for increasing EV charging load in the coming years. For this project, we referenced Level 2 alternating current (AC) onboard charging profiles for various vehicle models and high-fidelity charging data collected at the experimental setup established at the EV Research Infrastructure Laboratory at the National Renewable Energy Laboratory (NREL). Next, we developed EV adoption models for 2030 and 2040 for the Boulder and Aurora regions in Colorado. Moreover, we evaluated different smart charging control algorithms and compared their performance. We developed time-of-use (TOU)-based and grid-aware active EV charging control methods and integrated them within the study region to understand field impacts. Diving deeper, we selected 10 feeders in Boulder and Aurora for high-fidelity grid modeling down to the house level. We executed detailed grid analysis comparing the smart charge management (SCM) algorithms we developed. Finally, we created a novel tool, Electric Vehicle Infrastructure--Distribution System Integration Tool (EVI-DiST), to integrate all the approaches in a single software environment to provide easy integration, fast simulation, and detailed evaluation capability for utility engineers and other stakeholders.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Direct analysis of the broad-line SN 2019ein: connection with the core-normal SN 2011fe

Type Ia supernovae (SNe Ia) are important cosmological probes and contributors to galactic nucleosynthesis, particularly of the iron group elements. To improve both their reliability as cosmological probes and to understand galactic chemical evolution, it is vital to understand the binary progenitor system and explosion mechanism. The classification of SNe Ia into Branch groups has led to some understanding of the similarities and differences among the varieties of observed SNe Ia. Branch groups are defined by the pseudo-equivalent widths of the two prominent Si ii lines, leading to four distinct groups: core-normal (CN), shallow-silicon, cool, and broad-line (BL). However, partly due to small sample size, little work has been done on the BL group. We perform direct spectral analysis on the pre-maximum spectra of the BL SN 2019ein, comparing and contrasting to the CN SN 2011fe. Both SN 2019ein and SN 2011fe were first observed spectroscopically within 2 d of discovery, allowing us to follow the spectroscopic evolution of both SNe in detail. We find that the optical depths of the primary features of both the CN and BL SNe are very similar, except that there is a Doppler shift between them. We further examine the BL group and show that for nine objects with pre-maximum spectra in the range (–6)–(–2) d with respect to B-maximum all the emission peaks of the Si ii λ6355 line of BL are blueshifted pre-maximum, suggesting a possible classification criterion.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Pattern Mining and Anomaly Detection based on the Power System Synchrophasor Measurements

Real-time monitoring of power system dynamics using phasor measurement units (PMUs) data improves situational awareness and system reliability and potentially can help prevent blackouts due to early anomaly detection. The study presented in the paper is based on the actual PMU measurements of the U.S. western interconnection system. Given the nonlinear and nonstationary PMUs data, we developed a robust anomaly detection framework. Wavelet-based multi-resolution analysis, combined with moving-window-based outlier detection and anomaly scoring, were deployed to identify potential PMU events. The candidate events were evaluated using spatiotemporal correlation analysis, and then classified for a better understanding of the event types. The results demonstrated successful anomaly detection and classification, compared with the recorded real-world events.

Ren, Huiying↗

DOE OSTI2018

Development and Validation of Segmentation Method for Lung Cancer Volumetry on Chest CT

The set of criteria called Response Evaluation Criteria In Solid Tumors (RECIST) is used to evaluate the remedial effects of lung cancer, whereby the size of a lesion can be measured in one dimension (diameter). Volumetric evaluation is desirable for estimating the size of a lesion accurately, but there are several constraints and limitations to calculating the volume in clinical trials. In this study, we developed a method to detect lesions automatically, with minimal intervention by the user, and calculate their volume. Our proposed method, called a spherical region-growing method (SPRG), uses segmentation that starts from a seed point set by the user. SPRG is a modification of an existing region-growing method that is based on a sphere instead of pixels. The SPRG method detects lesions while preventing leakage to neighboring tissues, because the sphere is grown, i.e., neighboring voxels are added, only when all the voxels meet the required conditions. In this study, two radiologists segmented lung tumors using a manual method and the proposed method, and the results of both methods were compared. The proposed method showed a high sensitivity of 81.68–84.81% and a high dice similarity coefficient (DSC) of 0.86–0.88 compared with the manual method. In addition, the SPRG intraclass correlation coefficient (ICC) was 0.998 (CI 0.997–0.999, p < 0.01), showing that the SPRG method is highly reliable. If our proposed method is used for segmentation and volumetric measurement of lesions, then objective and accurate results and shorter data analysis time are possible.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2018

Hyperspectral Imaging and SPA–LDA Quantitative Analysis for Detection of Colon Cancer Tissue

Hyperspectral imaging (HSI) has been demonstrated to provide a rapid, precise, and noninvasive method for cancer detection. However, because HSI contains many data, quantitative analysis is often necessary to distill information useful for distinguishing cancerous from normal tissue. To demonstrate that HSI with our proposed algorithm can make this distinction, we built a Vis–NIR HSI setup and made many spectral images of colon tissues, and then used a successive projection algorithm (SPA) to analyze the hyperspectral image data of the tissues. This was used to build an identification model based on linear discrimination analysis (LDA) using the relative reflectance values of the effective wavelengths. Other tissues were used as a prediction set to verify the reliability of the identification model. The results suggest that Vis–NIR hyperspectral images, together with the spectroscopic classification method, provide a new approach for reliable and safe diagnosis of colon cancer and could lead to advances in cancer diagnosis generally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗