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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 91 records · Page 5

Nuclear Requalification of the New ATR Core

The Advanced Test Reactor (ATR) creates a unique high neutron flux materials testing environment that subsequently causes neutron embrittlement damage to its beryllium reflector eventually requiring a replacement during a reactor Outage. Concurrently, a piece-for-piece core replacement is conducted to maintain reactor functionality called a core internals changeout (CIC). Once changeout is complete, ATR Reactor Engineering utilizes previous CIC data to model and predict criticality scenarios for the new unirradiated core. However, CIC data has been inconsistently reported over the years making it difficult to find data trends that could be useful for the modeling and prediction process. So nuclear requalification testing is conducted using different flux and irradiation tests to accurately verify the models and to recalibrate nuclear monitoring instrumentation in the ATR core allowing for safe re-start of normal operations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Nuclear Requalification of the ATR Core

The Advanced Test Reactor (ATR) creates a unique, high neutron flux materials testing environment that subsequently causes neutron embrittlement damage to its beryllium reflector. The reflector is eventually required to be replaced during a reactor Outage. Concurrently, a piece-for-piece core replacement is conducted to maintain reactor functionality called a core internals changeout (CIC). Once changeout is complete, ATR Reactor Engineering utilizes previous CIC data, notably 1977-1994 CIC data, to conduct predictive criticality analysis on the new, unirradiated core. However, CIC data has been inconsistently reported over the years making it difficult, and in some cases impossible, to utilize. These inconsistencies arise in various forms of not using correct units, inconsistent diagram usage, and not portraying the same kind of data similarly across the reports. To work around this inconsistency issue, Reactor Engineering is implementing the use of several new neutronic modeling codes that utilize modern computation speeds and methods to model the new core in different criticality environments. Further validation is then conducted by nuclear testing and bringing the reactor critical and conducting various irradiation tests. Upon completion and certification that the reactor passed all testing requirements, ATR can once again re-start normal operations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Dynamic concurrent learning method to neutralize cyber attacks and faults for industrial asset monitoring nodes

Input signals may be received from monitoring nodes of the industrial asset, each input signal comprising time series data representing current operation. A neutralization engine may transform the input signals into feature vectors in feature space, each feature vector being associated with one of a plurality of overlapping batches of received input signals. A dynamic decision boundary may be generated based on the set of feature vectors, and an abnormal state of the asset may be detected based on the set of feature vectors and a predetermined static decision boundary. An estimated neutralized value for each abnormal feature value may be calculated based on the dynamic decision boundary and the static decision boundary such that a future set of feature vectors will be moved with respect to the static decision boundary. An inverse transform of each estimated neutralized value may be performed to generate neutralized signals comprising time series data that are output.

97 MATHEMATICS AND COMPUTING↗

Informative Background on the Interoperability Requirements in IEEE Std 1547-2018

The intent of this document is to support local authorities governing interconnection requirements in adopting the most current requirements for interconnecting distributed energy resources (DERs) to the electric distribution system, as specified in the Institute of Electrical and Electronics Engineers Standard for Interconnection and Interoperability of Distributed Energy Resources with Associated Electric Power Systems Interfaces (IEEE Std 1547-2018 ). To create interconnection rules that successfully address policy goals, market trends, and technical requirements, electric service regulators need to be well informed of DER integration considerations. Interconnection processes and technical issues often overlap; the two are not easily segregated, and they are often considered and evaluated concurrently within the context of interconnection rulemaking. Accordingly, this document addresses both the technical issues and related process considerations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Expression of Gre2p improves tolerance of engineered xylose-fermenting Saccharomyces cerevisiae to glycolaldehyde under xylose metabolism

Engineered S. cerevisiae employing the xylose reductase pathway enables efficient xylose valorization to fuels and chemicals. However, toxicity of thermochemically pretreated biomass hydrolysate on S. cerevisiae is one of the key technical challenges to upgrade biomass-derived sugars including xylose and glucose into high-value products. We investigated the effect of glycolaldehyde, one of the biomass-derived highly toxic aldehyde compounds, and its combinatorial inhibitory effect with other major fermentation inhibitors commonly found in plant hydrolysate such as methylglyoxal, 5-HMF, furfural, vanillin, and acetic acid on engineered xylose-fermenting S. cerevisiae in xylose and/or glucose media. We elucidated that glycolaldehyde and methylglyoxal are the key inhibitory short-aliphatic aldehydes on engineered xylose-fermenting S. cerevisiae in xylose-containing medium. Indeed, the degree of toxicity of these tested fermentation inhibitors varies with the sole carbon source of the medium. We demonstrate that genome integration of an extra copy of autologous GRE2 with its native promotor substantially improved the toxic tolerance of engineered xylose-fermenting S. cerevisiae to major inhibitory compounds including glycolaldehyde in the xylose-containing medium, and xylose-rich, lignocellulosic hydrolysate derived from Miscanthus giganteus, and concurrently improved the ethanol fermentation profile. In conclusion, outcomes of this study will aid the development of next-generation robust S. cerevisiae strains for efficient fermentation of hexose and pentose sugars found in biomass hydrolysate.

09 BIOMASS FUELS↗

High-entropy electrolytes for practical lithium metal batteries

Electrolyte engineering is crucial for improving battery performance, particularly for lithium metal batteries. Recent advances in electrolytes have greatly improved cyclability by enhancing electrochemical stability at the electrode interfaces, but concurrently achieving high ionic conductivity has remained challenging. Here we report an electrolyte design strategy for enhanced lithium metal batteries by increasing the molecular diversity in electrolytes, which essentially leads to high entropy electrolytes (HEEs). We find that in weakly solvating electrolytes, the entropy effect reduces ion clustering while preserving the characteristic anion-rich solvation structures, which is characterized by synchrotron-based X-ray scattering and molecular dynamics simulations. Electrolytes with smaller- sized clusters exhibit a 2-fold improvement in ionic conductivity compared to conventional weakly- solvating electrolytes, enabling stable cycling at high current densities up to 2C (6.2 mA cm -2 ) in anode- free LiNi 0.6 Mn 0.2 Co 0.2 (NMC622)||Cu pouch cells. In conclusion, the efficacy of the design strategy is verified by performance improvements in three disparate weakly solvating electrolyte systems.

25 ENERGY STORAGE↗

Membrane-Inlet Mass Spectrometry Enables a Quantitative Understanding of Inorganic Carbon Uptake Flux and Carbon Concentrating Mechanisms in Metabolically Engineered Cyanobacteria

Photosynthesis uses solar energy to drive inorganic carbon (Ci) uptake, fixation, and biomass formation. In cyanobacteria, Ci uptake is assisted by carbon concentrating mechanisms (CCM), and CO 2 fixation is catalyzed by RubisCO in the Calvin-Benson-Bassham (CBB) cycle. Understanding the regulation that governs CCM and CBB cycle activities in natural and engineered strains requires methods and parameters that quantify these activities. Here, we used membrane-inlet mass spectrometry (MIMS) to simultaneously quantify Ci concentrating and fixation processes in the cyanobacterium Synechocystis 6803 . By comparing cultures acclimated to ambient air conditions to cultures transitioning to high Ci conditions, we show that acclimation to high Ci involves a concurrent decline of Ci uptake and fixation parameters. By varying light input, we show that both CCM and CBB reactions become energy limited under low light conditions. A strain over-expressing the gene for the CBB cycle enzyme fructose-bisphosphate aldolase showed higher CCM and carbon fixation capabilities, suggesting a regulatory link between CBB metabolites and CCM capacity. While the engineering of an ethanol production pathway had no effect on CCM or carbon fixation parameters, additional fructose-bisphosphate aldolase gene over-expression enhanced both activities while simultaneously increasing ethanol productivity. These observations show that MIMS can be a useful tool to study the extracellular Ci flux and how CBB metabolites regulate Ci uptake and fixation.

09 BIOMASS FUELS↗

The Physical and Engineering Limits of Coupled In situ TEM Experiments

Almost all future energy systems (advanced nuclear reactors, fusion energy system, concentrating solar-thermal power (CSP), and wind technologies) are limited by degradation of key material systems exposed to multiple environmental stressors. The degradation during exposure to high temperatures, radiation, mechanical loading, and chemical attack is often dictated by mechanisms active at the microstructural level. The nature of these mechanisms and the associated variations between sequential and concurrent interplay can be explored if the transmission electron microscope (TEM) is utilized as a toolbox for exploration [1]. One such tool developed at Sandia National Laboratories to couple several of these environments is the In situ Ion Irradiation TEM (I3TEM) [2]. Several studies over the last decade utilizing this tool have shown that the scientific intuition developed over decades of sequential experiments is not always a good indicator of concurrent mechanisms or failure routes. This presentation will highlight the recent and planned additions into the I3TEM facility of a Waviks gas injection system and Raman system, respectively, as can be seen in Fig. 1, permitting environmental degradation from gas species leaked into the pole piece region during quantitative mechanical loading (indentation, monotonic loading, high temperature creep, irradiation induced creep, and high-cycle fatigue); multi-beam ion irradiation (energies ranging from 1 keV to 48 MeV and species from H to Au); laser exposure (20 W and 1064 nm), or various combinations thereof that are already possible [3]. This addition permits the facility to explore both sequential or concurrently the four axes of stressors: thermal, mechanical, radiation, and chemical. This information can be directly coupled to modeling, expediting the refinement and validation of both atomistic and mesoscale models.

degradation↗

A Transport Equation Approach to Modeling the Influence of Surface Roughness on Boundary Layer Transition

A computational investigation has been performed to better understand the impact of surface roughness on the flow over a contaminated surface. This report highlights the implementation and development of the roughness amplication model in the flow solver OVER FLOW-2. The model, originally proposed by Dassler, Kozulovic, and Fiala, introduces an additional scalar field roughness amplification quantity. This value is explicitly set at rough wall boundaries using surface roughness parameters and local flow quantities. The additional transport equation allows non-local effects of surface roughness to be accounted for downstream of rough sections. This roughness amplification variable is coupled with the Langtry-Menter model and used to modify the criteria for transition. Results from at plate test cases show good agreement with experimental transition behavior on the flow over varyings and grain roughness heights. Additional validation studies were performed on a NACA 0012 airfoil with leading edge roughness. The computationally predicted boundary layer development demonstrates good agreement with experimental results. New tests using varying roughness configurations have been carried out at the Texas A&M Oran W. Nicks Low Speed Wind Tunnel to provide further calibration of the roughness amplification method. An overview and preliminary results are provided of this concurrent experimental investigation.

17 WIND ENERGY↗

Emergent Low-Symmetry Phases and Large Property Enhancements in Ferroelectric KNbO 3 Bulk Crystals [Emergent Low-Symmetry Phases with Large Property Enhancement in Ferroelectric KNbO 3 Bulk Crystals]

The design of new or enhanced functionality in materials is traditionally viewed as requiring the discovery of new chemical compositions through synthesis. Large property enhancements may however also be hidden within already well-known materials, when their structural symmetry is deviated from equilibrium through a small local strain or field. Here, the discovery of enhanced material properties associated with a new metastable phase of monoclinic symmetry within bulk KNbO 3 is reported. This phase is found to coexist with the nominal orthorhombic phase at room temperature, and is both induced by and stabilized with local strains generated by a network of ferroelectric domain walls. While the local microstructural shear strain involved is only ≈0.017%, the concurrent symmetry reduction results in an optical second harmonic generation response that is over 550% higher at room temperature. Moreover, the meandering walls of the low-symmetry domains also exhibit enhanced electrical conductivity on the order of 1 S m -1 . In conclusion, this discovery reveals a potential new route to local engineering of significant property enhancements and conductivity through symmetry lowering in ferroelectric crystals.

36 MATERIALS SCIENCE↗

A Computational Framework for Control Co-Design of Resilient Cyber–Physical Systems With Applications to Microgrids

Critical infrastructure networks, such as power and transportation networks, can be modelled as cyber-physical systems. As the complexity of such systems grow, there is need for developing metrics and design tools that will co-optimize the physical components of the system and the control policies to guarantee resilience against cyber and natural threats. To that end, we develop a simulation-based control co-design computational framework that will concurrently determine the system and control parameters of a cyber-physical system to meet pre-specified resilience, operational and economic objectives. Here, the capabilities of the developed co-design engine is demonstrated by designing the physical components and control parameters of a microgrid system that will meet its resiliency objectives when subjected to various cyber and physical threats.

97 MATHEMATICS AND COMPUTING↗

Volumetric additive manufacturing via tomographic reconstruction

Additive manufacturing promises enormous geometrical freedom and the potential to combine materials for complex functions. The speed, geometry, and surface quality limitations of additive processes are linked to their reliance on material layering. We demonstrated concurrent printing of all points within a three-dimensional object by illuminating a rotating volume of photosensitive material with a dynamically evolving light pattern. We printed features as small as 0.3 millimeters in engineering acrylate polymers and printed soft structures with exceptionally smooth surfaces into a gelatin methacrylate hydrogel. Our process enables us to construct components that encase other preexisting solid objects, allowing for multimaterial fabrication. We developed models to describe speed and spatial resolution capabilities and demonstrated printing times of 30 to 120 seconds for diverse centimeter-scale objects.

42 ENGINEERING↗

Developing a novel hierarchical approach for multiscale structural reliability predictions for ultra-high consequence applications

Microstructural variabilities are among the predominant sources of uncertainty in structural performance and reliability. We seek to develop efficient algorithms for multiscale calcu- lations for polycrystalline alloys such as aluminum alloy 6061-T6 in environments where ductile fracture is the dominant failure mode. Our approach employs concurrent multiscale methods, but does not focus on their development. They are a necessary but not sufficient ingredient to multiscale reliability predictions. We have focused on how to efficiently use concurrent models for forward propagation because practical applications cannot include fine-scale details throughout the problem domain due to exorbitant computational demand. Our approach begins with a low-fidelity prediction at the engineering scale that is sub- sequently refined with multiscale simulation. The results presented in this report focus on plasticity and damage at the meso-scale, efforts to expedite Monte Carlo simulation with mi- crostructural considerations, modeling aspects regarding geometric representation of grains and second-phase particles, and contrasting algorithms for scale coupling.

36 MATERIALS SCIENCE↗

Scalable Control Co-design for Resilient-by-Design Cyber Physical Systems

Critical infrastructure networks, such as power and transportation networks, are often modelled as cyber-physical systems. With ever increasing complexity of these systems, there is a need for newer and more relevant metrics and design tools that will co-optimize the physical system components and control policies to guarantee resilience against cyber and natural threats. To this end, a simulation-based control co-design computational framework that will concurrently determine the system and control parameters of a cyber-physical system to meet pre-specified resilience, operational and economic objectives has been developed. The capabilities of the developed co-design engine are demonstrated by designing the physical components and control parameters of a microgrid system that will meet its resiliency objectives when subjected to various cyber and physical threats.

42 ENGINEERING↗

Landrush: Rethinking In-Situ Analysis for GPGPU Workflows

In-situ analysis on the output data of scientific simulations has been made necessary by ever-growing output data volumes and increasing costs of data movement as supercomputing is moving towards exascale. With hardware accelerators like GPUs becoming increasingly common in high end machines, new opportunities arise to co-locate scientific simulations and online analysis performed on the scientific data generated by the simulations. However, the asynchronous nature of GPGPU programming models and the limited context-switching capabilities on the GPU pose challenges to co-locating the scientific simulation and analysis on the same GPU. This paper dives deeper into these challenges to understand how best to co-locate analysis with scientific simulations on the GPUs in HPC clusters. Specifically, our 'Landrush' approach to GPU sharing proposes a solution that utilizes idle cycles on the GPU to provide an improved time-to-answer, that is, the total time to run the scientific simulation and analysis of the generated data. Landrush is demonstrated with experimental results obtained from leadership high-end applications on ORNL's Titan supercomputer, which show that (i) GPU-based scientific simulations have varying degrees of idle cycles to afford useful analysis task co-location, and (ii) the inability to context switch on the GPU at instruction granularity can be overcome by careful control of the analysis kernel launches and software-controlled early completion of analysis kernel executions. Results show that Landrush is superior in terms of time-to-answer compared to serially running simulations followed by analysis or by relying on the GPU driver and hardwired thread dispatcher to run analysis concurrently on a single GPU.

Computer Science↗

Co-Optima Stakeholder Listening Day Summary Report

On June 16–17, 2015, the U.S. Department of Energy (DOE) convened the Optima Stakeholder Listening ay to share information on an emerging effort to concurrently investigate the optimization of fuels and vehicles. At the time of the stakeholder listening day, this effort was referred to as “Optima.” The revised name of the effort is Co-Optimization of Fuels & Engines (Co-Optima). The effort and the listening day will use the term “Co-Optima” hereafter in this report.Co-Optima officially began in FY 2016 and is a collaboration of the DOE Vehicle Technologies Office, Bioenergy Technologies Office, and the DOE national laboratories. In FY 2015, DOE invited industry stakeholders to the listening day to obtain critical input on the opportunities and challenges of this effort. The meeting was held in Golden, Colorado, and hosted by the National Renewable Energy Laboratory.

33 ADVANCED PROPULSION SYSTEMS↗

Rubisco regulation in response to altered carbon status in the cyanobacterium Synechococcus elongatus PCC 7942

Abstract Photosynthetic organisms possess a variety of mechanisms to achieve balance between absorbed light (source) and the capacity to metabolically utilize or dissipate this energy (sink). While regulatory processes that detect changes in metabolic status/balance are relatively well studied in plants, analogous pathways remain poorly characterized in photosynthetic microbes. Here, we explored systemic changes that result from alterations in carbon availability in the model cyanobacterium Synechococcus elongatus PCC 7942 by taking advantage of an engineered strain where influx/efflux of a central carbon metabolite, sucrose, can be regulated experimentally. We observed that induction of a high-flux sucrose export pathway leads to depletion of internal carbon storage pools (glycogen) and concurrent increases in estimates of photosynthetic activity. Further, a proteome-wide analysis and fluorescence reporter-based analysis revealed that upregulated factors following the activation of the metabolic sink are concentrated on ribulose-1,5-bisphosphate carboxylase-oxygenase (Rubisco) and auxiliary modules involved in Rubisco maturation. Carboxysome number and Rubisco activity also increased following engagement of sucrose secretion. Conversely, reversing the flux of sucrose by feeding exogenous sucrose through the heterologous transporter resulted in increased glycogen pools, decreased Rubisco abundance, and carboxysome reorganization. Our data suggest that Rubisco activity and organization are key variables connected to regulatory pathways involved in metabolic balancing in cyanobacteria.

Plant Sciences↗