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DOE OSTI2017

Toward General Software Level Silent Data Corruption Detection for Parallel Applications

Silent data corruption (SDC) poses a great challenge for high-performance computing (HPC) applications as we move to extreme-scale systems. Mechanisms have been proposed that are able to detect SDC in HPC applications by using the peculiarities of the data (more specifically, its “smoothness” in time and space) to make predictions. However, these data-analytic solutions are still far from fully protecting applications to a level comparable with more expensive solutions such as full replication. In this work, we propose partial replication to overcome this limitation. More specifically, we have observed that not all processes of an MPI application experience the same level of data variability at exactly the same time. Thus, we can smartly choose and replicate only those processes for which the lightweight data-analytic detectors would perform poorly. In addition, we propose a new evaluation method based on the probability that a corruption will pass unnoticed by a particular detector (instead of just reporting overall single-bit precision and recall). Here in our experiments, we use four applications dealing with different explosions. Finally, our results indicate that our new approach can protect the MPI applications analyzed with 7–70% less overhead (depending on the application) than that of full duplication with similar detection recall.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Technology Deployment Annual Report 2013 December

Idaho National Laboratory (INL) is a Department of Energy (DOE) multi-program national laboratory that conducts research and development in all DOE mission areas. Like all other federal laboratories, INL has a statutory technology transfer mission to make its capabilities and technologies available to all federal agencies, to state and local governments, and to universities and industry. To fulfill this mission, INL encourages its scientific, engineering, and technical staff to disclose new inventions and creations to ensure the resulting intellectual property is captured, protected, and made available to others who might benefit from it. As part of the mission, intellectual property is licensed to industrial partners for commercialization, creating jobs and delivering the benefits of federally funded technology to consumers. In other cases, unique capabilities are made available to other federal agencies or to regional small businesses to solve specific technical challenges. INL employees also work cooperatively with researchers and technical staff from the university and industrial sectors to further develop emerging technologies. In a multinational global economy, INL is contributing to the development of the next generation of engineers and scientists by licensing software to educational institutions throughout the world. This report is a catalog of selected INL technology transfer and commercialization transactions during this past year. The size and diversity of INL technical resources, coupled with the large number of relationships with other organizations, virtually ensures that a report of this nature will fail to capture all interactions. Recognizing this limitation, this report focuses on transactions that are specifically authorized by technology transfer legislation (and corresponding contractual provisions) or involve the transfer of legal rights to technology to other parties. This report was compiled from primary records, which were readily available to the INL’s Office of Technology Deployment. However, the accomplishments cataloged in the report reflect the achievements and creativity of the researchers, technicians, support staff, and operators of the INL workforce.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2014

Technology Deployment Annual Report 2014

This report is a summary of key Technology Deployment activities and achievements for 2014, including intellectual property, granted copyrights, royalties, license agreements, CRADAs, WFOs and Technology-Based Economic Development. Idaho National Laboratory (INL) is a Department of Energy (DOE) multi-program national laboratory that conducts research and development in all DOE mission areas. Like all other federal laboratories, INL has a statutory, technology transfer mission to make its capabilities and technologies available to all federal agencies, to state and local governments, and to universities and industry. To fulfill this mission, INL encourages its scientific, engineering, and technical staff to disclose new inventions and creations to ensure the resulting intellectual property is captured, protected, and made available to others who might benefit from it. As part of the mission, intellectual property is licensed to industrial partners for commercialization, creating jobs and delivering the benefits of federally funded technology to consumers. In other cases, unique capabilities are made available to other federal agencies or to regional small businesses to solve specific technical challenges. INL employees also work cooperatively with researchers and technical staff from the university and industrial sectors to further develop emerging technologies. In our multinational global economy, INL is contributing to the development of the next generation of engineers and scientists by licensing software to educational instiutitons throughout the world. This report is a catalog of selected INL technology transfer and commercialization transactions during this past year. The size and diversity of INL technical resources, coupled with the large number of relationships with other organizations, virtually ensures that a report of this nature will fail to capture all interactions. Recognizing this limitation, this report focuses on transactions that are specifically authorized by technology transfer legislation (and corresponding contractual provisions) or involve the transfer of legal rights to technology to other parties. This report was compiled from primary records, which were readily available to the INL’s Office of Technology Deployment. However, the accomplishments cataloged in the report reflect the achievements and creativity of the researchers, technicians, support staff, and operators of the INL workforce.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

Networked Microgrid Ownership, Data, and Control Implications: Challenges and Open Questions

Microgrid deployments increasingly favor the potential to form networks for greater benefits to resilience, reliability, and energy sovereignty. Both independent and networked micro-grids predominantly have a single-entity-ownership and control, where the associations from ownership to data requirements to control functions to microgrid objectives is linear. The emerging model, however, is cyclical, with bidirectional causal impacts between each of the 4 pillars: there are more complex mixed ownership models across the physical, electrical, data, communications, protection, and control boundaries that impact the data requirements for meeting control functions that help realize the use-cases or objectives. This paper is the first to delineate the pillars for effective ownership and controllability of both independent as well as networked microgrids through the cyclical model, and present barriers to the adoption of such a model.

Sundararajan, Aditya↗

DOE OSTI2012

Implementing Stakeholders' Access to Expertise: Experimenting on Nuclear Installations' Safety Cases - 12160

In 2009 and 2010, the Institute for Nuclear Safety and Radiation Protection (IRSN) led two pilot actions dealing with nuclear installations' safety cases. One concerned the periodical review of the French 900 MWe nuclear reactors, the other concerned the decommissioning of a workshop located on the site of Areva's La Hague fuel-reprocessing plant site in Northwestern France. The purpose of both these programs was to test ways for IRSN and a small number of stakeholders (Non-Governmental Organizations (NGOs) members, local elected officials, etc.) to engage in technical discussions. The discussions were intended to enable the stakeholders to review future applications and provide valuable input. The test cases confirmed there is a definite challenge in successfully opening a meaningful dialogue to discuss technical issues, in particular the fact that most expertise reports were not public and the conflict that exists between the contrary demands of transparency and confidentiality of information. The test case also confirmed there are ways to further improvement of stakeholders' involvement. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2012

AERIAL MEASURING SYSTEM IN JAPAN

The U.S. Department of Energy National Nuclear Security Agency’s Aerial Measuring System deployed personnel and equipment to partner with the U.S. Air Force in Japan to conduct multiple aerial radiological surveys. These were the first and most comprehensive sources of actionable information for U.S. interests in Japan and provided early confirmation to the government of Japan as to the extent of the release from the Fukushima Daiichi Nuclear Power Generation Station. Many challenges were overcome quickly during the first 48 hours; including installation and operation of Aerial Measuring System equipment on multiple U.S. Air Force Japan aircraft, flying over difficult terrain, and flying with talented pilots who were unfamiliar with the Aerial Measuring System flight patterns. These all combined to make for a dynamic and non-textbook situation. In addition, the data challenges of the multiple and on-going releases, and integration with the Japanese government to provide valid aerial radiological survey products that both military and civilian customers could use to make informed decisions, was extremely complicated. The Aerial Measuring System Fukushima response provided insight in addressing these challenges and gave way to an opportunity for the expansion of the Aerial Measuring System’s mission beyond the borders of the US.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Demonstrating compliance with moderator content limits in uranium dioxide powder upon leaving a furnace environment

A challenge was posed to the criticality safety consultant to consider whether instrumentation identified by Plant Management in an existing facility could be claimed as appropriate safety measures to ensure compliance with moderator content limits in uranium dioxide (UO{sub 2}) powder. During processing of low enriched UO{sub 2}, trays of powder are heated in a steam and hydrogen environment in order to reduce fluoride levels. Whilst in the furnace environment criticality safety is ensured by the geometry of the furnace trays used to convey the powder; however, upon leaving the furnace the UO{sub 2} is bulked to a 210 litre drum subject to limited moderation control. Under fault conditions there is a potential that the powder may become wetted due to an imbalance in furnace gas flows resulting in steam condensing in the cooling section of the furnace. Therefore, the safety case methodology followed suggests that two independent and diverse safety measures are provided to terminate the progression of the fault(s) to criticality. The existing criticality safety case credits an infra-red moisture meter as one of two safety measures; however, the calibration procedure required to ensure this device remains suitable is a considerable challenge from a plant operability perspective. As an initial review failed to identify any suitable like-for-like replacement, the National Nuclear Laboratory (NNL) Nuclear Safety Section were requested by the customer to consider the existing criticality safety case and investigate whether any existing instrumentation could be used as an alternative method of detecting conditions in which excess moisture could be present within the furnace trays. A number of solutions were proposed and the benefits and challenges around each are discussed in this paper, concluding with the approach adopted by the project. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Investigating the Vulnerabilities of the Direct Transfer Trip Scheme for Network Protector Units in the Secondary Networks of Electric Power Distribution Grids

Network protector units (NPUs) are crucial parts of the protection of secondary networks to effectively isolate faults occurring on the primary feeders. When a fault occurs on the primary feeder, there is a path of the fault current going through the service transformers that causes a negative flow of current on the NPU connected to the faulted feeder. Conventionally, NPUs rely on the direction of current with respect to the voltage to detect faults and make a correct trip decision. However, the conventional NPU logic does not allow the reverse power flow caused by distributed energy resources installed on secondary networks. The communication-assisted direct transfer trip logic for NPUs can be used to address this challenge. However, the communication-assisted scheme is exposed to some vulnerabilities arising from the disruption or corruption of the communicated data that can endanger the reliable operation of NPUs. This paper evaluates the impact of the malfunction of the communication system on the operation of communication-assisted NPU logic. To this end, the impact of packet modification and denial-of-service cyberattacks on the communication-assisted scheme are evaluated. The evaluation was performed using a hardware-in-the-loop (HIL) co-simulation testbed that includes both real-time power system and communication network digital simulators. This paper evaluates the impact of the cyberattacks for different fault scenarios and provides a list of recommendations to improve the reliability of communication-assisted NPU protection.

direct transfer trip↗

DOE OSTI2026

Power and particle exhaust in the ST-E1 fusion power plant

Power exhaust challenges and potential solutions for a 5 m major radius, low-aspect ratio burning tokamak have been explored. 1D edge plasma models have been used to screen for access to detachment using short and long outer divertor legs in double and single null configurations, using Ar as the primary impurity and assuming tungsten plasma-facing components (PFCs). These show that detachment access can be accessed for all but the most conservative assumptions on scrape-off layer (SOL) width and power, but that trade-offs will be required between magnet engineering and the size of the acceptable window of as-yet uncertain plasma parameters. SOLPS-ITER was used to further model selected plasma scenarios, confirming that Ar seeding can be used to achieve dissipative divertor scenarios with peak deposited heat fluxes below 15 MWm -2 . Initial scoping of first wall loads and positioning of limiters has been carried out, showing the feasibility of protecting the breeding blanket wall during steady state without impeding tritium breeding. Initial PFC technology selection is also presented, identifying this as a critical area where further work is needed to find an attractive solution for helium-cooled PFCs that can handle high heat fluxes without excessive power requirements. Key questions and trade-offs for concept development have been identified, including: how to achieve high radiation for reduction of SOL power without core performance degradation; whether power exhaust can be well-controlled in a double null plasma; mechanical design and materials challenges of high-heat flux PFCs; and control of material erosion, redeposition and tritium retention.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Control, Fault Management, and Grid Support Functionality of an MV AC-DC Solid State Transformer based EV Extreme Fast Charging Station

Electric vehicles (EVs) have become increasingly popular in recent times while revolutionizing the consumer and commercial transportation market. The development of charging infrastructure has become one of the priorities for increasing the adoption of EVs. Extreme fast charging (XFC) technology can reduce the so-called ’range anxiety’ of consumers as they significantly reduce the charging time. With the advent of wide band-gap (WBG) power devices and improvement in power electronic converters, medium voltage (MV) solid state transformer (SST) based XFC system has the potential to replace the traditional XFC stations because of the lower footprint, ease of installation, enhanced control feature, and better system efficiency. The control system design is one of the critical aspects of the SST development process. Careful consideration and detailed analysis are required to find out suitable control method for the SST based on its topology among different centralized and decentralized control architectures. Also, the control parameters selection and potential improvement to the transient response of the controller ought to be investigated. Another major concern of the SST is different types of internal fault which reduces the overall reliability of the XFC system. As a result, designing a robust protection system is essential. Among different fault modes, open circuit switch faults have received significant attention as an active research area because of their likelihood and severe effects on converters. Therefore, the power stages used in the XFC system require functional and accurate open circuit switch fault management methods. An equally significant aspect of this SST based XFC is its compatibility in a microgrid where there is no synchronous generator present. When the grid is not available, the XFC SSTs can provide grid forming capability and continue supplying the critical loads in islanded mode. The transition between grid connected and islanded mode, especially the grid resynchronization process has to be carefully performed for the safety of the microgrid components. The challenges posed by the aforementioned issues have inspired the work done in this dissertation. Here, a 13.2 kV, 1 MVA, AC/DC SST for the XFC system is examined and a comparative analysis is conducted to select the control architecture based on feasibility of implementation and performance. A detailed control parameter design process is demonstrated considering the sensor dynamics and delay. The selected decentralized control method is augmented by introducing a novel sensor-less load current feedforward method to provide better voltage regulation at the DC bus during a change of load. Next, in the fault management section, a hierarchical failure mode effect analysis (FMEA) is proposed to enable a systematic design of the internal fault protection of the XFC SST as there are limited examples in the literature regarding the analysis of the safety and design of the protection of a power electronic converter system. Novel open circuit switch fault management methods for the converters in the system are presented. Finally, XFC SST based MV microgrid operations in grid connected mode and islanded mode are explored. A secondary control method for grid resynchronization is presented and a design process of control parameters is shown to ensure the stability of the secondary voltage and frequency regulation.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2018

Secreted glycoprotein BmApoD1 plays a critical role in anti-oxidation and anti-apoptosis in Bombyx mori

Highlights: • Three apolipoprotein D homologs were identified from the genome of lepidopteran insect. • N-linked glycans were essential to the secretion of BmApoD1. • BmApoD1 transcription was up-regulated after oxidant or starvation treatment in larvae. • BmApoD1 can protect cells from oxidative stress and reduce actinomycin D-induced cell apoptosis. Recent studies highlighted that apolipoprotein D (ApoD) and its homologs exert neuroprotective and antioxidant functions in mammals and Drosophila. Unlike mammals and Drosophila, lepidopteran insects possess three distinct ApoD homologs. However, few information on their functions in lepidopteran insects are available. In this study, we investigated the protective potential of a novel ApoD homolog, BmApoD1, in Bombyx mori. Quantitative PCR analyses demonstrated that BmApoD1 is extensively expressed at low levels during the larval stage but abundantly expressed in the testis during the pupal and adult stages. Tryptophan fluorescence titration demonstrated that recombinant BmApoD1 protein can bind retinoic acid and ergosterol. In addition, we provided evidence that N-linked glycans of BmApoD1 are essential to BmApoD1 secretion, and three residues, namely, Asp69, Asp104, and Asp196, are the glycosylation sites of BmApoD1. Furthermore, we showed that BmApoD1 is significantly up-regulated in the larvae after oxidant or starvation treatment. The recombinant BmApoD1 protein can protect cells from oxidative stress induced by H{sub 2}O{sub 2} and reduce actinomycin D-induced cell apoptosis. These observations, together with the transcriptional up-regulation of BmApoD1 in several tissues upon oxidative insult, identify BmApoD1 as a potent antioxidant. Our results demonstrate that BmApoD1 is critical for metabolic adaptation of B. mori to environmental challenges.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Graphene oxide/metal nanocrystal multilaminates as the atomic limit for safe and selective hydrogen storage

Interest in hydrogen fuel is growing for automotive applications; however, safe, dense, solid-state hydrogen storage remains a formidable scientific challenge. Metal hydrides offer ample storage capacity and do not require cryogens or exceedingly high pressures for operation. However, hydrides have largely been abandoned because of oxidative instability and sluggish kinetics. We report a new, environmentally stable hydrogen storage material constructed of Mg nanocrystals encapsulated by atomically thin and gas-selective reduced graphene oxide (rGO) sheets. This material, protected from oxygen and moisture by the rGO layers, exhibits exceptionally dense hydrogen storage (6.5 wt% and 0.105 kg H 2 per litre in the total composite). As rGO is atomically thin, this approach minimizes inactive mass in the composite, while also providing a kinetic enhancement to hydrogen sorption performance. In conclusion, these multilaminates of rGO-Mg are able to deliver exceptionally dense hydrogen storage and provide a material platform for harnessing the attributes of sensitive nanomaterials in demanding environments.

08 HYDROGEN↗

DOE OSTI2023

Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein

Ligand-binding promiscuity in detoxification systems protects the body from toxicological harm but is a roadblock to drug development due to the difficulty in optimizing small molecules to both retain target potency and avoid metabolic events. Immense effort is invested in evaluating metabolism of molecules to develop safer, more effective treatments, but engineering specificity into or out of promiscuous proteins and their ligands is a challenging task. To better understand the promiscuous nature of detoxification networks, we have used X-ray crystallography to characterize a structural feature of pregnane X receptor (PXR), a nuclear receptor that is activated by diverse molecules (with different structures and sizes) to up-regulate transcription of drug metabolism genes. We found that large ligands expand PXR’s ligand-binding pocket, and the ligand-induced expansion occurs through a specific unfavorable compound-protein clash that likely contributes to reduced binding affinity. Removing the clash by compound modification resulted in more favorable binding modes with significantly enhanced binding affinity. We then engineered the unfavorable ligand-protein clash into a potent, small PXR ligand, resulting in marked reduction in PXR binding and activation. Structural analysis showed that PXR is remodeled, and the modified ligands reposition in the binding pocket to avoid clashes, but the conformational changes result in less favorable binding modes. Thus, ligand-induced binding pocket expansion increases ligand-binding potential of PXR but is an unfavorable event; therefore, drug candidates can be engineered to expand PXR’s ligand-binding pocket and reduce their safety liability due to PXR binding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

U.S. Domestic Small Modular Reactor Security by Design

U.S. nuclear power facilities face increasing challenges in meeting evolving security requirements caused by evolving and expanding threats while keeping cost reasonable to make nuclear energy competitive. The addition of security features after a facility has been designed and without attention to optimization (the past approach) can lead to cost overruns. Incorporating security in the design process can provide robust, cost effective, and sufficient physical protection systems. The purpose of this work is to develop a framework for the integration of security into the design phase of Small Modular Reactors (SMRs) and the use of modeling and simulation tools to optimize the design of physical protection systems. This effort will intend to integrate security into the design phase of a model SMR that meets current NRC physical protection requirements and provide advanced solutions to improve physical protection and decrease costs. A suite of tools, including SCRIBE3D, PATHTRACE and Blender were used to model a hypothetical generic domestic SMR facility. Physical protection elements such as sensors, cameras, portal monitors, barriers, and guard forces were added to the model based on best practices for physical protection systems. One outsider sabotage scenario was examined with 4-8 adversaries to determine security metrics. This work will influence physical protection system designs and facility designs for U.S. domestic SMRs. The purpose of this project is to demonstrate how a series of experimental and modeling capabilities across the Department of Energy Complex can impact the design of U.S. domestic SMRs and the complete Safeguards and Security by Design (SSBD) for SMRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Transiently Transfected Mammalian Cell Cultures: An Adaptable and Effective Platform for Virus-like Particle-Based Vaccines against Foot-and-Mouth Disease Virus

RNA viruses, such as foot-and-mouth disease virus (FMDV), have error-prone replication resulting in the continuous emergence of new viral strains capable of evading current vaccine coverage. Vaccine formulations must be regularly updated, which is both costly and technically challenging for many vaccine platforms. In this report, we describe a plasmid-based virus-like particle (VLP) production platform utilizing transiently transfected mammalian cell cultures that combines both the rapid response adaptability of nucleic-acid-based vaccines with the ability to produce intact capsid epitopes required for immunity. Formulated vaccines which employed this platform conferred complete protection from clinical foot-and-mouth disease in both swine and cattle. This novel platform can be quickly adapted to new viral strains and serotypes through targeted exchanges of only the FMDV capsid polypeptide nucleic acid sequences, from which processed structural capsid proteins are derived. This platform obviates the need for high biocontainment manufacturing facilities to produce inactivated whole-virus vaccines from infected mammalian cell cultures, which requires upstream expansion and downstream concentration of large quantities of live virulent viruses.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2012

Scientific Opportunities for Monitoring of Environmental Remediation Sites (SOMERS)

The US Department of Energy (DOE) is responsible for risk reduction and cleanup of its nuclear weapons complex. DOE maintains the largest cleanup program in the world, currently spanning over a million acres in 13 states. The inventory of contaminated materials includes 90 million gallons of radioactive waste, 6.4 trillion liters of groundwater, and 40 million cubic meters of soil and debris. It is not feasible to completely restore many sites to predisposal conditions. Any contamination left in place will require monitoring, engineering controls and/or land use restrictions to protect human health and environment. Research and development efforts to date have focused on improving characterization and remediation. Yet, monitoring will result in the largest life-cycle costs and will be critical to improving performance and protection. Through an inter-disciplinary effort, DOE is addressing a need to advance monitoring approaches from sole reliance on cost- and labor-intensive point-source monitoring to integrated systems-based approaches such as flux-based approaches and the use of early indicator parameters. Key objectives include identifying current scientific, technical and implementation opportunities and challenges, prioritizing science and technology strategies to meet current needs within the DOE complex for the most challenging environments, and developing an integrated and risk-informed monitoring framework.

Bunn, Amoret L↗

DOE OSTI2012

Scientific Opportunities for Monitoring of Environmental Remediation Sites - (SOMERS)

environmental restoration↗

DOE OSTI2016

Filter-based control of particulate matter from a lean gasoline direct injection engine

New regulations requiring increases in vehicle fuel economy are challenging automotive manufacturers to identify fuel-efficient engines for future vehicles. Lean gasoline direct injection (GDI) engines offer significant increases in fuel efficiency over the more common stoichiometric GDI engines already in the marketplace. However, particulate matter (PM) emissions from lean GDI engines, particularly during stratified combustion modes, are problematic for lean GDI technology to meet U.S. Environmental Protection Agency Tier 3 and other future emission regulations. As such, the control of lean GDI PM with wall-flow filters, referred to as gasoline particulate filter (GPF) technology, is of interest. Since lean GDI PM chemistry and morphology differ from diesel PM (where more filtration experience exists), the functionality of GPFs needs to be studied to determine the operating conditions suitable for efficient PM removal. In addition, lean GDI engine exhaust temperatures are generally higher than diesel engines which results in more continuous regeneration of the GPF and less presence of the soot cake layer common to diesel particulate filters. Since the soot layer improves filtration efficiency, this distinction is important to consider. Research on the emission control of PM from a lean GDI engine with a GPF was conducted on an engine dynamometer. PM, after dilution, was characterized with membrane filters, organic vs. elemental carbon characterization, and size distribution techniques at various steady state engine speed and load points. The engine was operated in three primary combustion modes: stoichiometric, lean homogeneous, and lean stratified. In addition, rich combustion was utilized to simulate PM from engine operation during active regeneration of lean NOx control technologies. High (>95%) PM filtration efficiencies were observed over a wide range of conditions; however, some PM was observed to slip through the GPF at high speed and load conditions. The PM characterization at various engine speeds and loads will help enable optimized GPF design and control to achieve more fuel efficient lean GDI vehicles with low PM emissions.

Lewis, Sr, Samuel Arthur↗