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DOE OSTI2014

Feasibility Study of Implementing a Mobile Collaborative Information Platform for International Safeguards Inspections

In response to the growing pervasiveness of mobile technologies such as tablets and smartphones, the International Atomic Energy Agency and the U.S. Department of Energy National Laboratories have been exploring the potential use of these platforms for international safeguards activities. Specifically of interest are information systems (software, and accompanying servers and architecture) deployed on mobile devices to increase the situational awareness and productivity of an IAEA safeguards inspector in the field, while simultaneously reducing paperwork and pack weight of safeguards equipment. Exploratory development in this area has been met with skepticism regarding the ability to overcome technology deployment challenges for IAEA safeguards equipment. This report documents research conducted to identify potential challenges for the deployment of a mobile collaborative information system to the IAEA, and proposes strategies to mitigate those challenges.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Degradation of TBC Systems in Environments Relevant to Advanced Gas Turbines for IGCC Systems

Air plasma sprayed (APS) thermal barrier coatings (TBCs) are used to provide thermal insulation for the hottest components in gas turbines. Zirconia stabilized with 7wt% yttria (7YSZ) is the most common ceramic top coat used for turbine blades. The 7YSZ coating can be degraded from the buildup of fly-ash deposits created in the power-generation process. Fly ash from an integrated gasification combined cycle (IGCC) system can result from coal-based syngas. TBCs are also exposed to harsh gas environments containing CO 2 , SO 2 , and steam. Degradation from the combined effects of fly ash and harsh gas atmospheres has the potential to severely limit TBC lifetimes. The main objective of this study was to use lab-scale testing to systematically elucidate the interplay between prototypical deposit chemistries (i.e., ash and its constituents, K 2 SO 4 , and FeS) and environmental oxidants (i.e., O 2 , H 2 O and CO 2 ) on the degradation behavior of advanced TBC systems. Several mechanisms of early TBC failure were identified, as were the specific fly-ash constituents responsible for degradation. The reactivity of MCrAlY bondcoats used in TBC systems was also investigated. The specific roles of oxide and sulfate components were assessed, together with the complex interplay between gas composition, deposit chemistry and alloy reactivity. Bondcoat composition design strategies to mitigate corrosion were established, particularly with regard to controlling phase constitution and the amount of reactive elements the bondcoat contains in order to achieve optimal corrosion resistance.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2016

Induced Polarization Signature of Biofilms in Porous Media: From Laboratory Experiments to Theoretical Developments and Validation

Bioremediation strategies for mitigating the transport of heavy metals and radionuclides in subsurface sediments have largely targeted the use of dissimilatory metal and sulfate-reducing bacteria. Growth and metabolic activities from these organisms can significantly influence biogeochemical processes, including mineral dissolution/precipitation, fluctuating pH and redox potential (Eh) values, development of biofilms, and decreasing hydraulic conductivity. The Spectral Induced Polarization (SIP) technique has emerged as the technique most sensitive to the presence of microbial cells and biofilms in porous media; yet it is often difficult to unambiguously distinguish the impact of multiple and often competing processes that occur during in-situ biostimulation activities on the SIP signatures. The main goal of our project is to quantitatively characterize major components within bacterial biofilms (cells, DNA, metals, metabolites etc.) contributing to detectable SIP signatures. We specifically: (i) evaluated the contribution of biofilm components to SIP signatures, (ii) determined the contribution of biogenic minerals commonly found in biofilms to SIP signatures, (iii) determined if the SIP signatures can be used to quantify the rates of biofilm formation, (iv) developed models and a fundamental understanding of potential underlying polarization mechanisms at low frequencies (<40 kHz) resulting from the presence of microbial cells and biofilms

58 GEOSCIENCES↗

DOE OSTI2016

Cyber Threat and Vulnerability Analysis of the U.S. Electric Sector

With utilities in the U.S. and around the world increasingly moving toward smart grid technology and other upgrades with inherent cyber vulnerabilities, correlative threats from malicious cyber attacks on the North American electric grid continue to grow in frequency and sophistication. The potential for malicious actors to access and adversely affect physical electricity assets of U.S. electricity generation, transmission, or distribution systems via cyber means is a primary concern for utilities contributing to the bulk electric system. This paper seeks to illustrate the current cyber-physical landscape of the U.S. electric sector in the context of its vulnerabilities to cyber attacks, the likelihood of cyber attacks, and the impacts cyber events and threat actors can achieve on the power grid. In addition, this paper highlights utility perspectives, perceived challenges, and requests for assistance in addressing cyber threats to the electric sector. There have been no reported targeted cyber attacks carried out against utilities in the U.S. that have resulted in permanent or long term damage to power system operations thus far, yet electric utilities throughout the U.S. have seen a steady rise in cyber and physical security related events that continue to raise concern. Asset owners and operators understand that the effects of a coordinated cyber and physical attack on a utility’s operations would threaten electric system reliability–and potentially result in large scale power outages. Utilities are routinely faced with new challenges for dealing with these cyber threats to the grid and consequently maintain a set of best practices to keep systems secure and up to date. Among the greatest challenges is a lack of knowledge or strategy to mitigate new risks that emerge as a result of an exponential rise in complexity of modern control systems. This paper compiles an open-source analysis of cyber threats and risks to the electric grid, utility best practices for prevention and response to cyber threats, and utility suggestions about how the federal government can aid utilities in combating and mitigating risks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Planning a Resilient Power Sector: Ensuring Reliable, Secure, Safe, and Affordable Electricity

Decision makers around the globe are exploring strategies to ensure the reliable, secure, safe, and affordable supply of electricity to power economic growth and achieve development goals. Vulnerabilities of the power sector to natural hazards (e.g., acts of nature, severe weather, and climate variabilities), technological hazards (e.g., accidents and system or structure failures), and threats or human-caused incidents (e.g., intentional cyber-attacks or acts of terror) can impede the provision of the energy services necessary to achieve these goals. Although decision makers cannot prevent an act of nature such as an earthquake, they can anticipate, prepare for, and adapt to potential vulnerabilities through planning. The purpose of power sector resilience planning is to identify vulnerabilities and devise strategies to mitigate them. This document reviews some of the hazards that power sectors face and how decision makers can plan to increase resilience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2014

Multi-targeted siRNA against conserved genomic regions of flu: new therapeutics with broad activity against emerging flu strains

Executive summary of the final project report outlines the major results achieved throughout the project performance. Detailed results and discussions have been presented in the eight quarterly reports. Among pandemic-prone diseases, viral diseases—specifically influenza—have a significant, if not leading position. The prospect of influenza pandemic generates immediate alarm around the world. Far more contagious than most infections, it is spread by coughing and sneezing, and transmissible within an incubation period too short to allow for contact tracing and isolation. For these reasons, pandemic influenza would have devastating consequences. If a fully transmissible pandemic virus emerged, the spread of the disease could not be prevented. Development of strategies for mitigating the severity of a new influenza pandemic is now a top global public health priority. Among the other anti-influenza drugs currently under development short interfering siRNAs seem to be very hopeful. To contribute to siRNAs success as new prophylactic and therapeutic remedies, the Project explored the following: 1) new substances to improve siRNAs transfection to target cells; 2) methods for siRNA administering to improve siRNAs delivery to the target organs; and 3) the “cocktails” designed from siRNAs targeting different genes of influenza virus to achieve antiviral efficacy of siRNAs-based complexes toward multiple influenza viruses and subsequently to increase probability of siRNAs application as prophylactic and therapeutic medicine.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Planificacion de un Sector Energetico Resiliente: Como Asegurar Electricidad Confiable, Segura y Asequible (Spanish Translation)

This is the Spanish translation of 'Planning a Resilient Power Sector: Ensuring Reliable, Secure, Safe, and Affordable Electricity' (NREL/TP-7A40-71543). Decision makers around the globe are exploring strategies to ensure the reliable, secure, safe, and affordable supply of electricity to power economic growth and achieve development goals. Vulnerabilities of the power sector to natural hazards (e.g., acts of nature, severe weather, and climate variabilities), technological hazards (e.g., accidents and system or structure failures), and threats or human-caused incidents (e.g., intentional cyber-attacks or acts of terror) can impede the provision of the energy services necessary to achieve these goals. Although decision makers cannot prevent an act of nature such as an earthquake, they can anticipate, prepare for, and adapt to potential vulnerabilities through planning. The purpose of power sector resilience planning is to identify vulnerabilities and devise strategies to mitigate them. This document reviews some of the hazards that power sectors face and how decision makers can plan to increase resilience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Power Sector Resilience Planning: To Ensure Reliable, Secure, Safe and Affordable Electricity Supplies (Lab Translation)

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Planning a Resilient Power Sector: Ensuring Reliable, Secure, Safe, and Affordable Electricity

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Targeted Mineral Carbonation to Enhance Wellbore Integrity [Final Report]

This project evaluated the potential to deploy targeted carbonation reactions to the leading edge of leaking CO 2 ganglion as a strategy for mitigating leakage from deep CO 2 injection sites. Tasks that were performed for this objective included (i) Maintaining and revising the project management and planning; (ii) Developing novel stimuli-responsive materials that release mineral silicates only below a target temperature; (iii) Imaging of subsamples from targeted carbonation demonstration experiments in porous media and fractured wellborn-zone environments; and (iv) Building models to best fit the experiment results and confirm the hypothesis driving this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Targeted Mineral Carbonation to Enhance Wellbore Integrity

42 ENGINEERING↗

DOE OSTI2021

Machine Learning Guided Operational Intelligence from Synchrophasors (Final Report)

Schweitzer Engineering Laboratories (SEL) and Oregon State University (OSU) received over 27 terabytes of electrical power system phasor measurement unit (PMU) data for the Eastern, Western, and ERCOT interconnections. The dataset includes measurements spread across 446 PMUs from early 2016 to mid 2018 depending on the interconnect. The full dataset was split into a training and test (holdout) dataset by PNNL. All data was received in the Apache Parquet format. The overarching goal of this project is to develop and execute a strategy to mitigate data anomalies, perform analysis on the dataset, and detect anomalous events in the data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Deeply Rooted: Evaluating Plant Rooting Depth as a Means for Enhanced Soil Carbon Sequestration (Abbreviated Final Report)

Soils store three times as much carbon (C) as the atmosphere, but are not at capacity, and enhanced soil C storage is considered an essential strategy to mitigate rising atmospheric CO 2 levels. Agricultural soils have experienced substantial C loss in the past century due to poor agricultural practices and erosion. A shift towards deep-rooting crops and low-impact soil management could potentially increase long-term sequestration of C fixed by plants and stored in their root tissues, particularly for crops that have naturally deep root systems (>1 meter). A substantial amount of the CO 2 taken up by plants is allocated to their root systems, and because C deposited in deep soil layers has a longer residence time (up to millennia, in contrast to C deposited in topsoils), C increases at depth may have better long-term C sequestration potential than topsoils. However, the accrual, turnover, and stabilization of C in subsoils is a critical knowledge gap.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Identification of Adaptive Fungal Pathogen Resistance Loci in Switchgrass (Final Report)

Switchgrass (Panicum virgatum) has great potential as a sustainable bioenergy and bioproducts feedstock. However, there are a number of challenges that must be overcome to achieve this goal. One of the most significant challenges to switchgrass productivity are fungal pathogens, especially rusts and smuts. The primary goals of our project were to characterize the distribution of fungal pathogens on switchgrass across central North America and to identify genetic loci that control resistance to those pathogens. The research was primarily conducted with large common garden plantings of a switchgrass, distributed along a latitudinal gradient from South Texas to South Dakota. By conducting this research simultaneously at 10 field locations, we were able establish the relative contributions of genes and the environment to pathogen resistance. Through this research, we identified multiple genomic regions (loci) that contribute to rust resistance and found that the effects of these loci on resistance were highly influenced by field site location. Our research revealed that most of the rust damage to switchgrass from Texas to the northern United States is caused by a single fungal species, Puccinia novopanici. Therefore, genetic variation within this species and/or local environmental conditions are responsible for the inconsistent efficacy of pathogen resistance loci. We are currently investigating these two non-mutually exclusive hypotheses. In addition to our studies of rust pathogens, we were able to identify resistance loci for the head smut fungal pathogen Tilletia maclaganii. The funding from this grant facilitated a collaboration with the DOE Joint Genome Institute to develop a reference genome for T. maclaganii. A reference genome will make population genetic studies of this smut fungus possible, which in turn will facilitate the development of strategies to mitigate its impact. Overall, the funded research has greatly advanced our understanding of the genetic basis of fungal pathogen resistance switchgrass. This knowledge will help facilitate the breeding of more resistant cultivars and thus, increase the productivity of swichgrass generally.

09 BIOMASS FUELS↗

DOE OSTI2021

NRAP-Open-IAM Multisegmented Wellbore Reduced-Order Model

Geologic carbon storage is one of the promising strategies to mitigate climate change by reducing the emission of carbon dioxide to the atmosphere. As part of the National Risk Assessment Partnership (NRAP), a systems-level stochastic analysis tool called the open source integrated assessment model, NRAP-Open-IAM, has been developed to estimate and manage the risk of containment loss at a geological carbon sequestration site. NRAP-Open-IAM contains several wellbore leakage model components that estimate the fluid leak rate that may occur through compromised legacy wells due to the increase in pressure resulting from CO 2 injection activities. Coupled to a reservoir component model, these components estimate the leakage of CO 2 and/or brine from a storage reservoir to overlying aquifer layers and the atmosphere through legacy wells. This report presents the theoretical framework and quality testing of the multisegmented wellbore reduced-order model. The model allows for segmenting of the legacy wells passing through the overlying stratigraphy into several intervals to simulate a site’s specific stratigraphic and hydrogeologic properties. For quality assurance, the analytical model is validated against numerical reservoir flow simulations for single and multiple aquifer(s) models. The results indicate that the model accurately predicts the transport of two-phase fluids (brine and injected CO 2 ) through the well over time. A detailed description of the model helps users to understand the model and provides a basis for future improvements.

58 GEOSCIENCES↗

DOE OSTI2020

Hydrogen Diffusivity Measurements of YH 1.87 Moderator Material with Incoherent Quasielastic Neutron Scattering

Yttrium hydride is an optimal choice of moderator material for thermal neutron spectrum reactors requiring small core volumes. The Transformation Challenge Reactor (TCR) program at Oak Ridge National Laboratory (ORNL) aims to develop an additively manufactured microreactor core by leveraging recent advances in materials, manufacturing, data analytics, and high-fidelity modeling and simulation. Yttrium hydride was selected as the moderator material for TCR due to its high moderating power, which enables the spatially efficient reactor design and thermal stability that is superior when compared with zirconium hydride. Hydrogen desorption from yttrium hydride is expected at elevated temperatures, posing safety and performance concerns. As a lifetime component in advanced reactors, appropriate strategies to mitigate hydrogen release from yttrium hydride over long-term reactor operation are required. Understanding hydrogen mobility in yttrium hydride provides the scientific basis for developing a hydrogen barrier for hydride moderator and predicting the hydrogen redistribution within the material during various operational conditions. This study investigated the hydrogen motion in YH 1.87 as a function of temperature ranging from 200 to 1,173 K using incoherent quasielastic neutron scattering (IQNS) at the Spallation Neutron Source (SNS). The results are presented and discussed in terms of hydrogen self-diffusion coefficients, activation energy for translational hydrogen motion, and hydrogen jump distances. Based on the IQNS data, YH 1.87 is found to be stable at high temperatures with no translational H motion below 1,023 K within the IQNS detection limits. In the temperature range of 1,073–1,173 K, hydrogen diffusivity in YH 1.87 is $D = 4.57 X 10^{⁻3} [m^2/s] exp (⁻\frac{1.73[eV]}{RT}$). The hydrogen concentration’s dependence on hydrogen diffusivity is also discussed in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Gas Separations by Novel, Designed, Cost-Effective Zeolites (Final Technical Report)

The remaining goals of the project were the design OSDAs for zeolites for 1) ethylene/ethane separation, 2) CO2 /nitrogen separation, 3) CO2 /methane separation. These separation methods are recognized as steps in strategies to mitigate global warming. We have deployed targeted de novo design to design OSDAs directed towards zeolite structures that have been identified as hits in computational screens for zeolites that are predicted to be effective in the above mentioned gas separations. In addition, the impact on zeolite science of the methodology developed and refined in the course of the project has been recognized by the international zeolite research community. It will be the subject of an invited book chapter to be released in 2022. It is also illustrated by the co-recipient ship of M.W. Deem and F. Daeyaert of the 2019 Donald W. Breck Award in Molecular Sieve Science.

58 GEOSCIENCES↗

DOE OSTI2023

Predictive Engineering of Interfaces and Cathodes for High-Performance All Solid-State Lithium-Sulfur Batteries

The primary goal of this project is to leverage data-driven methods and machine learning strategies to develop accurate multi-physics models for all-solid-state Li-S battery (ASLSB) materials that can capture electrochemical and transport phenomena over atomic to mesoscopic length/timescales. These models will be rigorously validated by synthesis and advanced characterization experiments. The team will leverage the predictive power of these models, alongside synthesis/characterization experiments and battery fabrication to address longstanding issues at the electrode/electrolyte interfaces in ASLSBs. The project’s proposed technology involves the following: (1) halide-doped solid sulfide electrolytes that can concurrently provide high Li + ion conductivity and suppress dendrite growth; (2) novel mesoporous cathode composed of super-P and carbon nanotubes co-infiltrated with sulfur and sulfide electrolyte, which hold potential to allow high sulfur loading and optimal ion/electron pathways; and (3) functionalization of sulfide electrolyte with ionic liquids to improve physical contact and minimize impedance at the cathode/electrolyte interface. Successful development of proposed predictive models (at multiple scales) will bridge this knowledge gap and will advance fundamental understanding of reaction chemistry, kinetics, charge transfer, and dendrite growth at electrified SSIs. This will enable predictive design of effective strategies to mitigate interfacial problems in ASSLSBs, including poor interfacial contact, interfacial impedance to Li + ion transport, and poor electron/ion conduction within cathodes. Ultimately, the fundamental knowledge gained will lead to development of high-performance ASSLSBs.

25 ENERGY STORAGE↗