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Education Highlights: Developing People and Communicating Science

In teaching students all about science and what makes it so fun, we’re learning new things, too! Argonne's Educational Programs and Outreach encourages student and public interactions with professional scientists, engineers, and researchers at Argonne to foster mutual understanding and appreciation of each other, enabling new perspectives on how to better communicate our ideas with the world. We have a creative and passionate staff who’s always ready to strengthen learning in new directions, so come and discover more about us and our work! https://www.anl.gov/education/stem-outreach

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

International Collaboration Activities on Engineered Barrier Systems

The Used Fuel Disposition Campaign (UFDC) within the DOE Fuel Cycle Technologies (FCT) program has been engaging in international collaborations between repository R&D programs for high-level waste (HLW) disposal to leverage on gathered knowledge and laboratory/field data of near- and far-field processes from experiments at underground research laboratories (URL). Heater test experiments at URLs provide a unique opportunity to mimetically study the thermal effects of heat-generating nuclear waste in subsurface repository environments. Various configurations of these experiments have been carried out at various URLs according to the disposal design concepts of the hosting country repository program. The FEBEX (Full-scale Engineered Barrier Experiment in Crystalline Host Rock) project is a large-scale heater test experiment originated by the Spanish radioactive waste management agency (Empresa Nacional de Residuos Radiactivos S.A. – ENRESA) at the Grimsel Test Site (GTS) URL in Switzerland. The project was subsequently managed by CIEMAT. FEBEX-DP is a concerted effort of various international partners working on the evaluation of sensor data and characterization of samples obtained during the course of this field test and subsequent dismantling. The main purpose of these field-scale experiments is to evaluate feasibility for creation of an engineered barrier system (EBS) with a horizontal configuration according to the Spanish concept of deep geological disposal of high-level radioactive waste in crystalline rock. Another key aspect of this project is to improve the knowledge of coupled processes such as thermal-hydro-mechanical (THM) and thermal-hydro-chemical (THC) operating in the near-field environment. The focus of these is on model development and validation of predictions through model implementation in computational tools to simulate coupled THM and THC processes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Application of materials informatics to vapor-grown carbon nanofiber/vinyl ester nanocomposites through self-organizing maps and clustering techniques

Data mining and knowledge discovery techniques were employed herein to acquire new information on the viscoelastic, flexural, compressive, and tensile properties of vapor-grown carbon nanofiber (VGCNF)/vinyl ester (VE) nanocomposites. Formulation and processing factors (curing environment, presence or absence of dispersing agent, mixing method, VGCNF weight fraction, VGCNF type, high-shear mixing time, and sonication time) and testing temperature were utilized as inputs and the true ultimate strength, true yield strength, engineering elastic modulus, engineering ultimate strength, flexural modulus, flexural strength, storage modulus, loss modulus, and tan delta were selected as outputs. The data mining and knowledge discovery algorithms used in this study include self-organizing maps (SOMs) and clustering techniques. SOMs demonstrated that temperature and tan delta had the most significant effects on the output responses followed by the VGCNF high-shear mixing time, and sonication time. SOMs were also used to produce optimal responses using certain combination(s) of inputs. Fuzzy C-means algorithm (FCM) was also applied to discover patterns in the nanocomposite behavior subsequent to a principal component analysis (PCA), which is a dimensionality reduction technique. Utilizing these techniques, the nanocomposite specimens were separated into different clusters based on the testing temperature (30 °C and 120 °C being the most dominant responses), tan delta, high-shear mixing time, and sonication time. Furthermore, the VGCNF/VE specimens were separated into a cluster based on their viscoelastic responses (storage and loss moduli) at the same temperature. The FCM results indicate that, while all nanocomposite properties in the new framework are essential, the viscoelastic responses of the VGCNF/VE specimens are the most significant. Here this work highlights the utility of data mining and knowledge discovery techniques in the context of materials informatics for the discovery of patterns and trends in the material behavior that are not immediately known.

36 MATERIALS SCIENCE↗

Nonlinear model-based controller for premixed charge compression ignition combustion timing in diesel engines

Advanced combustion modes, such as PCCI, operate near the system stability limits. In PCCI, the combustion event begins without a direct combustion trigger in contrast to traditional spark-ignited gasoline engines and direct-injected diesel engines. The lack of a direct combustion trigger encourages the usage of model-based controls to provide robust control of the combustion phasing. The nonlinear relationships between the control inputs and the combustion system response often limit the effectiveness of traditional, non-model-based controllers. Accurate knowledge of the system states and inputs is helpful for implementation of an effective nonlinear controller. A nonlinear controller is developed and implemented to control the engine combustion timing during diesel PCCI operation by targeting desired values of the in-cylinder oxygen concentration, pressure, and temperature during early fuel injection.

42 ENGINEERING↗

Compendium of HFIR and REDC Infrasound and Low-Frequency Acoustic Emissions

This document is a compilation of infrasound and low-frequency acoustic signatures that characterize select nuclear reactor operations and hot-cell operations observed at Oak Ridge National Laboratory (ORNL) in fiscal year 2018. Also included here are the results of digital signal analyses describing these signatures. This effort provides insight about the feasibility of using acoustic signatures for local and remote-sensing and identification of nuclear fuel-cycle operations. The signatures included here, in this first year of on-site observations at ORNL, will become part of the broader basis set of signatures collected by researchers involved in the Multi-Informatics for Nuclear Operations Scenarios (MINOS) venture. The effort by MINOS researchers is to gain a deeper knowledge base of nuclear facility operations which may be used to improve nuclear facility monitoring capabilities. This compendium comprises signatures developed from sound signals that were measured at ORNL's High Flux Isotope Reactor and the Radiochemical Engineering Development Center during the week of June 18, 2018. Most facility operations were performed specifically for this campaign, although some measurements were obtained in the course of normal operations. The knowledge gained from developing the signatures included herein will provide a better understanding that will be useful for upcoming measurement campaigns; as additional data becomes available it will be included in newer versions of this compendium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Compendium of HFIR and REDC Infrasound and Low-Frequency Acoustic Emissions

This document is a compilation of infrasound and low-frequency acoustic signatures that characterize select nuclear reactor operations and hot-cell operations observed at Oak Ridge National Laboratory (ORNL) in fiscal year 2018. Also included here are the results of digital signal analyses describing these signatures. This effort provides insight about the feasibility of using acoustic signatures for local and remote-sensing and identification of nuclear fuel-cycle operations. The signatures included here, in this first year of on-site observations at ORNL, will become part of the broader basis set of signatures collected by researchers involved in the Multi-Informatics for Nuclear Operations Scenarios (MINOS) venture. The effort by MINOS researchers is to gain a deeper knowledge base of nuclear facility operations which may be used to improve nuclear facility monitoring capabilities. This compendium comprises signatures developed from sound signals that were measured at ORNL's High Flux Isotope Reactor and the Radiochemical Engineering Development Center during the week of June 18, 2018. Most facility operations were performed specifically for this campaign, although some measurements were obtained in the course of normal operations. The knowledge gained from developing the signatures included herein will provide a better understanding that will be useful for upcoming measurement campaigns; as additional data becomes available it will be included in newer versions of this compendium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Derate Mitigation Options for Pulverized Coal Power Plant Carbon Capture Retrofits

Carbon capture and storage (CCS) technologies available in the near-term for pulverized coal-fueled power plants (i.e., post combustion solvent technologies) require substantial capital investment and result in marked decrease in electricity available for sale to the grid. The impact to overall plant economics can be mitigated for new plant designs (where the entire plant can be optimized around the CCS system). However, existing coal-fueled power plants were designed without the knowledge or intent to retrofit a CCS process, and it is simply not possible to re-engineer an existing plant in a manner that it could achieve the same performance as if it was originally designed and optimized for CCS technology. Pairing an auxiliary steam supply to the capture system is a technically feasible option to mitigate the derate resulting from diverting steam away from an existing steam turbine and continuing to run that turbine at steam flow rates and properties outside of the original design specifications. The results of this analysis strongly support the merits of meeting the steam and power requirements for a retrofitted post-combustion solvent based carbon dioxide (CO2) capture system with an auxiliary combined heat and power (CHP) plant rather than robbing the base plant (i.e., diverting steam from the existing steam cycle and electricity from sale to the grid).

01 COAL, LIGNITE, AND PEAT↗

An Implementation of ICME in Materials Information Exchanging Interfaces

The Integrated Computational Materials Engineering (ICME) approach provides a new paradigm for improving the performance of existing materials or discovering and developing new materials. It focuses on developing effective connections between isolated engineering fields, to bring quantitative processing-structure-property relationships and abundant validated data that populate the knowledge base for accelerating the research of new materials while reducing the cost of development. The data exchanging interfaces play a key role in building such ICME connections among different materials models, simulation tools and individual organizations. With implementations of information exchanging interface between different materials database, and interface between database and applications, this paper concludes that in building effective ICME applications, 1) standards-compliant interface can improve the exchange efficiency; 2) popular web service enables automated online materials data transfer; 3) customized data interoperation scripts can provide flexibility and productivity.

36 MATERIALS SCIENCE↗

Real-time observation of dynamic structure of liquid-vapor interface at nanometer resolution in electron irradiated sodium chloride crystals

The dynamics and structure of the liquid and vapor interface has remained elusive for decades due to the lack of an effective tool for directly visualization beyond micrometer resolution. Here, we designed a simple liquid-cell for encapsulating the liquid state of sodium for transmission electron microscopic (TEM) observation. The real-time dynamic structure of the liquid-vapor interface was imaged and videoed by TEM on the sample of electron irradiated sodium chloride (NaCl) crystals, a well-studied sample with low melting temperature and quantum super-shells of clusters. The nanometer resolution images exhibit the fine structures of the capillary waves, composed of first-time observed three zones of structures and features, i.e. flexible nanoscale fibers, nanoparticles/clusters, and a low-pressure area that sucks the nanoparticles from the liquid to the interface. Although the phenomenons were observed based on irradiated NaCl crystals, the similarities of the phenomenons to predictions suggest our real-time ovserved dynamic structure might be useful in validating long-debated theoretical models of the liquid-vapor interface, and enhancing our knowledge in understanding the non-equilibrium thermodynamics of the liquid-vapor interface to benefit future engineering designs in microfluidics.

36 MATERIALS SCIENCE↗

Recent Advances in Radiation-Induced Actinide Redox Chemistry

The actinide series boasts many unique physical and chemical features worthy of both fundamental and applied study. However, the chemical influence of their inherent radiation field is often overlooked, especially as we begin to explore the late actinides in more detail than ever possible before. From the perspective of used nuclear fuel reprocessing, the absorption of ionizing radiation induces the formation of a variety of transient and steady-state excited states, radicals, ions, and molecular degradation products, many of which are highly redox active and can lead to significant changes in a reprocessing solvent system’s physical and chemical properties. For example, radiolysis of the actinides can drive steady-state redox distributions and the formation of non-traditional oxidation states which can complicate their separation and recovery from fission products. This scenario is further exacerbated when complexation is taken into account. Consequently, a molecular-level understanding of radiation effects on the actinides over multiple time, distance, and material domains is essential for supporting innovation in used nuclear fuel reprocessing technologies. Attaining this knowledge necessitates a firm grasp of actinide radiation chemistry to develop predictive, mechanistic, multiscale models to support engineering efforts. Presented here are several recent studies that highlight recent advances in actinide radiation chemistry, in particular, the effect of actinide complexation on ligand reactivity towards radiation-induced transients.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda

From beneath the surface of the earth, we currently obtain about 80-percent of the energy our nation consumes each year. In the future we have the potential to generate billions of watts of electrical power from clean, green, geothermal energy sources. Our planet’s subsurface can also serve as a reservoir for storing energy produced from intermittent sources such as wind and solar, and it could provide safe, long-term storage of excess carbon dioxide, energy waste products and other hazardous materials. However, it is impossible to underestimate the complexities of the subsurface world. These complexities challenge our ability to acquire the scientific knowledge needed for the efficient and safe exploitation of its resources. To more effectively harness subsurface resources while mitigating the impacts of developing and using these resources, the U.S. Department of Energy established SubTER – the Subsurface Technology and Engineering RD&D Crosscut team. This DOE multi-office team engaged scientists and engineers from the national laboratories to assess and make recommendations for improving energy-related subsurface engineering. The SubTER team produced a plan with the overall objective of “adaptive control of subsurface fractures and fluid flow.”This plan revolved around four core technological pillars—Intelligent Wellbore Systems that sustain the integrity of the wellbore environment; Subsurface Stress and Induced Seismicity programs that guide and optimize sustainable energy strategies while reducing the risks associated with subsurface injections; Permeability Manipulation studies that improve methods of enhancing, impeding and eliminating fluid flow; and New Subsurface Signals that transform our ability to see into and characterize subsurface systems. The SubTER team developed an extensive R&D plan for advancing technologies within these four core pillars and also identified several areas where new technologies would require additional basic research. In response, the Office of Science, through its Office of Basic Energy Science (BES), convened a roundtable consisting of 15 national lab, university and industry geoscience experts to brainstorm basic research areas that underpin the SubTER goals but are currently underrepresented in the BES research portfolio. Held in Germantown, Maryland on May 22, 2015, the round-table participants developed a basic research agenda that is detailed in this report. Highlights include the following: -A grand challenge calling for advanced imaging of stress and geological processes to help understand how stresses and chemical substances are distributed in the subsurface—knowledge that is critical to all aspects of subsurface engineering; -A priority research direction aimed at achieving control of fluid flow through fractured media; -A priority research direction aimed at better understanding how mechanical and geochemical perturbations to subsurface rock systems are coupled through fluid and mineral interactions; -A priority research direction aimed at studying the structure, permeability, reactivity and other properties of nanoporous rocks, like shale, which have become critical energy materials and exhibit important hallmarks of mesoscale materials; -A cross-cutting theme that would accelerate development of advanced computational methods to describe heterogeneous time-dependent geologic systems that could, among other potential benefits, provide new and vastly improved models of hydraulic fracturing and its environmental impacts; -A cross-cutting theme that would lead to the creation of “geo-architected materials” with controlled repeatable heterogeneity and structure that can be tested under a variety of thermal, hydraulic, chemical and mechanical conditions relevant to subsurface systems; -A cross-cutting theme calling for new laboratory studies on both natural and geo-architected subsurface materials that deploy advanced high-resolution 3D imaging and chemical analysis methods to determine the ;rates and mechanisms of fluid-rock processes, and to test predictive models of such phenomena. Many of the key energy challenges of the future demand a greater understanding of the subsurface world in all of its complexity. This greater under- standing will improve the ability to control and manipulate the subsurface world in ways that will benefit both the economy and the environment. This report provides specific basic research pathways to address some of the most fundamental issues of energy-related subsurface engineering.

15 GEOTHERMAL ENERGY↗

Antimony redox processes in the environment: A critical review of associated oxidants and reductants

The environmental behavior of antimony (Sb) has recently received greater attention due to the increasing global use of Sb in a range of industrial applications. Although present at trace levels in most natural systems, elevated Sb concentrations in aquatic and terrestrial environments may result from anthropogenic activities. The mobility and toxicity of Sb largely depend on its speciation, which is dependent to a large extent on its oxidation state. To a certain extent, our understanding of the environmental behavior of Sb has been informed by studies of the environmental behavior of arsenic (As), as Sb and As have somewhat similar chemical properties. However, recently it has become evident that the speciation of Sb and As, especially in the context of redox reactions, may be fundamentally different. Therefore, it is crucial to study the biogeochemical processes impacting Sb redox transformations to understand the behavior of Sb in natural and engineered environments. Currently, there is a growing body of literature involving the speciation, mobility, toxicity, and remediation of Sb, and several reviews on these general topics are available; however, a comprehensive review focused on Sb environmental redox chemistry is lacking. Herein, we provide a review of research conducted within the past two decades examining the redox chemistry of Sb in aquatic and terrestrial environments and identifies knowledge gaps that need to be addressed to develop a better understanding of Sb biogeochemistry for improved management of Sb in natural and engineered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Systems Engineering Approach to Accident Response Planning.

This paper explores the Systems Engineering structure, strategies and tools for real world scenarios involving work with accident response planning. A systems engineering approach must be taken by the technical teams to prepare for a successful response and design the technical systems in support of the operations. The scope of this project is focused on laying out the foundation of the systems engineering approach taken to help the teams develop an accident response strategy and identify new engineering designs in support of these operations for the black box systems. This Masters project involved several interdisciplinary teams & stakeholders. Identifying the proper tools to use was key to addressing the big picture needs of the multiple stakeholders. The integrated project work primarily took place over the course of eight weeks via integrated team meetings. Other work in support of this project was conducted off-line as needed by the project lead. Details on the prospective timeline, milestones, key dates and work scope can be referenced in this paper. Key systems engineering methodologies and tools used in support of this project included but is not limited to: Market Surveys and Interviews Project Charter Feasibility Study Swim Lane Diagram Knowledge Management Plan. A full suite of tools and the details regarding the application of these tools and results of this study is provided in this report.

42 ENGINEERING↗

Development of Repair Techniques for Cast Iron Engine Blocks by Additive Manufacturing

ORNL partnered with Cummins Inc to demonstrate the feasibility of using additive manufacturing techniques to deposit large volume of new material on cast iron in the context of remanufacturing. Remanufacturing at Cummins Inc is carried out to repair any field damage and, in some cases, provide additional value by adding new features. Large volume deposition on difficult to weld materials is a challenging problem due to involved metallurgy. Phase-1 of this work evaluated the feasibility of using laser directed energy deposition technique to deposit new material layer by layer on cast iron engine blocks. During phase-1 deposits were made using Inconel-718, Nickel, Nr-Cr-B braze filler. Leveraging the knowledge gained during Phase-1, Phase-2 focused on developing a low- cost crack resistant ferrous alloy to repair cast iron via volume deposition techniques without preheating. Three different alloy chemistries were identified, and trials were performed on cast iron substrates to identify the optimal chemistry that provided adequate resistance to cracking in both, the deposits as well as the cast iron substrate.

42 ENGINEERING↗

Contributions of the SCK.CEN Academy to education and training in nuclear science and technology

Thanks to its thorough experience in the field of nuclear science and technology, its innovative research and the availability of large and unique nuclear installations, SCK.CEN is not only a renowned nuclear research institution, but also an important partner for nuclear education and training in Belgium as well as at international level. Within the SCK.CEN Academy, more than 60 years of nuclear expertise and experience gained from our different research projects is collected and transferred. In the interest of maintaining a competent workforce in industry, Healthcare, research, and policy, and of transferring nuclear knowledge and skills to the next generations, the SCK.CEN Academy takes it as its mission to: - provide guidance for students and early-stage researchers; - organize academic courses and customized training for professionals; - offer policy support with regard to education and training matters; - care for critical-intellectual capacities for society. Specifically in the domain of nuclear instrumentation the SCK.CEN Academy provides an opportunity to students at Bachelor, Master and PhD level to make use of the SCK.CEN infrastructure to support their thesis research or to perform an internship with the aim to improve and extend their knowledge and skills in a specific research or technical domain. Further, they can contribute to new findings in the field of nuclear instrumentation. The students are guided by our scientists, engineers and technicians who have years of experience in the relevant field. In addition, the SCK.CEN Academy contributes to traditional university education programs and delivers courses in several nuclear topics such as dosimetry. We also coordinate the Belgian Nuclear higher Engineering Network (BNEN), a one year (60 ECTS) master-after-master specialization in nuclear engineering in which 6 Belgian universities and SCK.CEN are involved. Beyond the contributions to academic education, we also provide several customized training programs tailored to the needs of the learners in terms of content, duration, level, language, location, etc. Complementary to the theoretical classes, ample attention is given to practical sessions and technical visits are foreseen which enable trainees to enrich and illustrate their acquired knowledge with the practice of real-life situations. In this poster presentation an overview will be given of the activities in the domains described above. Moreover it will be shown how these initiatives are embedded in the most recent European approaches to nuclear education and training via collaboration in several EU projects and networks. (authors)

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Engineering Bioelectronic Signal Transduction Using the Bacterial Type III Secretion Apparatus

Engineering efficient methods for living systems to transfer electrical energy to non-living systems, at relevant size scales, continues to challenge our knowledge of materials and biology. Our goal was to enable signal transduction between cells and inorganic materials, using controlled electron transport as the energy transfer mechanism. We envision using the cell as a living battery, providing a set of environmental signals to trigger synthetic biological networks that divert intracellular electron transport pathways to inorganic extracellular structures. Conversely, changing electron influxes could guide cellular responses. It is challenging, however, to precisely engineer nanostructured materials to achieve controllable catalytic or electronic properties and connect them with biological energy sources. Our approach to this problem is to engineer protein scaffolds, taking advantage of the native recognition, selectivity and self-assembly properties of these nano-scale building blocks as well as their native intracellular localization patterns. We are using a type III secretion system (T3SS) needle protein from Salmonella enterica, PrgI, as a template for metal nanowire synthesis for biosensing and bioenergy applications. We demonstrate that purified PrgI monomers spontaneously self assemble into long filaments, and that high-affinity peptide tags specific for attachment to functionalized particles can be integrated into the N-terminal region of PrgI. The resulting filaments selectively bind to gold, whether the filaments are assembled in vitro, sheared from cells, or remain attached to live S. enterica cell membranes. Chemical reduction of the gold modified PrgI variants results in structures that are several microns in length and which incorporate a contiguous gold surface.

59 BASIC BIOLOGICAL SCIENCES↗

RAVEN: a GUI and an Artificial Intelligence Engine in a Dynamic PRA Framework

Increases in computational power and pressure for more accurate simulations and estimations of accident scenario consequences are driving the need for Dynamic Probabilistic Risk Assessment (PRA) [1] of very complex models. While more sophisticated algorithms and computational power address the back end of this challenge, the front end is still handled by engineers that need to extract meaningful information from the large amount of data and build these complex models. Compounding this problem is the difficulty in knowledge transfer and retention, and the increasing speed of software development. The above-described issues would have negatively impacted deployment of the new high fidelity plant simulator RELAP-7 (Reactor Excursion and Leak Analysis Program) at Idaho National Laboratory. Therefore, RAVEN that was initially focused to be the plant controller for RELAP-7 will help mitigate future RELAP-7 software engineering risks. In order to accomplish this task, Reactor Analysis and Virtual Control Environment (RAVEN) has been designed to provide an easy to use Graphical User Interface (GUI) for building plant models and to leverage artificial intelligence algorithms in order to reduce computational time, improve results, and help the user to identify the behavioral pattern of the Nuclear Power Plants (NPPs). In this paper we will present the GUI implementation and its current capability status. We will also introduce the support vector machine algorithms and show our evaluation of their potentiality in increasing the accuracy and reducing the computational costs of PRA analysis. In this evaluation we will refer to preliminary studies performed under the Risk Informed Safety Margins Characterization (RISMC) project of the Light Water Reactors Sustainability (LWRS) campaign [3]. RISMC simulation needs and algorithm testing are currently used as a guidance to prioritize RAVEN developments relevant to PRA.

97 MATHEMATICS AND COMPUTING↗