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Multi-package development at Fermilab with Spack

The Spack package manager has been widely adopted in the supercomputing community as a means of providing consistently built on-demand software for the platform of interest. Members of the high-energy and nuclear physics (HENP) community, in turn, have recognized Spack’s strengths, used it for their own projects, and even become active Spack developers to better support HENP needs. Code development in a Spack context, however, can be challenging as the provision of external software via Spack must integrate with the developed packages’ build systems. Spack’s own development features can be used for this task, but they tend to be inefficient and cumbersome. We present a solution pursued at Fermilab called MPD (multi-package development). MPD aims to facilitate the development of multiple Spack-based packages in concert without the overhead of Spack’s own development facilities. In addition, MPD allows physicists to create multiple development projects with an interface that insulates users from the many commands required to use Spack well.

Knoepfel, Kyle James [Fermilab]↗

Fostering a Guiding Multiscale Model for the Development of Advanced MgB 2 Hydrogen Storage Materials (Final Technical Report)

Project Goal and Objective. The demand for energy and for an upgraded energy infrastructure has steadily grown, as have the needs for energy independence and alternatives to our reliance on petroleum. Hydrogen is considered the most viable fuels for wide-scale implementation in the near future as it is less-polluting, non-toxic, and has more stored energy than petroleum. It is envisioned that hydrogen can eventually become the prime energy carrier, integrating the transportation, grid, and chemical sectors in a way that improves resiliency, diversifies feedstocks, and affords new economic opportunities. A key remaining challenge is the development materials with enhanced gravimetric and volumetric hydrogen storage capacities that offer a higher performance than compressed gas. These materials would eliminate the need for large-scale compression, thereby dramatically reducing the footprint and cost of gas storage. The high gravimetric and volumetric hydrogen capacities of complex hydrides has prompted an intensive investigation of the potential of this class of materials as hydrogen storage media over the past 25 years. Among the many complex hydrides that have been explored, magnesium borohydride, Mg(BH 4 ) 2 , has been found to possess the best combination of practical thermodynamic properties. These include a gravimetric H 2 density of 14.9 wt% H 2 and thermodynamics for the dehydrogenation of Mg(BH 4 ) 2 to MgB 2 (equation 1) (ΔH° = 39 kJ/mol H 2 , ΔS = 112 J/K mol H 2 ) which lie in the narrow window required Mg(BH 4 ) 2 $\Leftrightarrow$ MgB 2 + 4 H 2 (1) for reversibility under moderate pressure and temperature. However, overcoming the extremely slow kinetics of the reversible release of hydrogen by this material in the solid state is a daunting challenge. At temperatures greater than 400 °C, the borohydride releases up to 14 wt% hydrogen giving MgB 2 . We discovered that the direct re-hydrogenation of MgB 2 to Mg(BH 4 ) 2 can be accomplished under 950 bar H 2 at 400 °C. While this demonstrated that complete reversibility can be achieved, the conditions employed are far too extreme for commercial hydrogen storage applications. More recently, we found through US DOE funded research projects (EERE HyMARC and HySCOR), that hydrogen cycling, can be accomplish at much milder conditions upon modification of the borohydride or boride. Guided by these discoveries these discoveries, the objective of this research project was to obtain key information that will enable the development of a model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 . The ultimate goal of our efforts is to attain a model of this transformation that can be utilized to accelerate development further advanced materials. This project directly follows on discoveries that were made over the course of a US DOE, EERE HyMARC project that was focused on improvement of the hydrogen cycling kinetics of modified MgB 2 . We found that that mechanical milling with graphene results the desired, pronounced kinetic enhancement. The dramatic lowering of the conditions required for the hydrogenation of MgB 2 is a significant step towards overcoming its chemical inertness allowing its development as a practical onboard hydrogen storage material. However, the exact nature of the modification(s) of MgB 2 that is responsible for its activation towards hydrogenation is completely unknown. This situation is not unique, as efforts to develop hydrogen storage materials typically have a narrow focus rather than a comprehensive approach that takes atomic level bonding and structure; molecular dynamics; long range, nano- and mesoscale-structure and their interconnection all into account. The goal of this project was the development of a comprehensive, multi-scale computational model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 that can be utilized for development of higher performance versions of the modified material. Development of the model requires determination of: 1) the bulk, nano-scale, and meso-scale structural changes occurring at elevated pressure following mechano-chemical modification of MgB 2 ; 2) the reaction pathway of the reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 ; 3) the effect of elevated pressure and mechano-chemical modification on the chemical reaction pathways; 4) the interactions at solid-gas interfaces; and particle surfaces; and 5) the kinetics and thermodynamic parameters associated with each step of the hydrogenation reaction pathway. This investigation required advanced techniques as preliminary, standard XRD, 11 B NMR, and FTIR analysis showed no signs of material modification. In order to gain this level of understanding of modified MgB 2 , required the teaming of a diverse group of experts and state-of-the art experimental capabilities at the University of Hawaii at Manoa (UHM) and collaborating National Laboratories: Craig Jensen , Department of Chemistry (PI and Project Director), solid state, solution, and high pressure NMR spectroscopy; solid-state synthesis; and high pressure hydrogenation (collaboration with SNL); Godwin Severa , Hawaii Natural Energy Institute (co-PI) calorimetry; infrared and Raman spectroscopy (collaboration with NREL); Dera , high pressure X-ray diffraction including in situ experiments (collaboration with ANL); Hope Ishii , Hawaii Institute of Geophysics electron microscopy investigations (collaboration with LBNL); and Joe Brown , Mechanical Engineering , material electronic structure and electric field effects.

08 HYDROGEN↗

Pilot Development Progress to Demonstrate Electric Thermal Energy Storage (ETES) Using Low-Cost Particles

The rapid growth of future energy demand increases the need to economically store electrical energy over durations up to several days in long-duration energy storage (LDES) applications. LDES can reduce the grid stress for improving the resilience of the grid. The integration of renewable power and storage has several significant and positive impacts including expanding the renewable energy portion of electricity generation, meeting peak-load demand, and coordinating supply and demand. Several energy storage approaches including mechanical, chemical and electrochemical methods are currently deployed or under development. However, LDES requirements pose unique challenges for scalability, energy capacity, and cost. Thermal energy storage (TES) has the ability to store a large capacity of energy with improved site flexibility compared to incumbent LDES technologies (i.e., pumped hydro) and has attracted significant interest. Our development in TES technology using solid particles as the storage medium has shown feasibility and potential in serving LDES purposes. Particle TES has various advantages over commercialized molten nitrate salt TES and has emerged as a promising storage technology originating from Generation 3 concentrating solar power (CSP) development. Stable, inexpensive silica sand produced in the Midwestern U.S. was identified as a suitable storage medium and has been validated through lab heating and cycling tests. We have successfully developed particle TES for bidirectional electric energy storage to broaden the applications for TES beyond CSP technologies and into standalone electric-thermal energy storage (ETES) systems. Key component designs and performance were verified with prototype testing and model simulations. The ETES system uses high-temperature, low-cost particle thermal energy storage coupled with a unique pressurized fluidized bed heat exchanger that supports a high-efficiency, air-Brayton combined power cycle. At times of low energy demand or high renewable production, an electric particle heater heats large quantities of solid particles to high temperatures in excess of 1100 degrees C. The particles are stored in internally insulated silos. At times of high electricity demand, the hot particles are gravity-fed through the heat exchanger where stored thermal energy is transferred to the power cycle working fluid to drive the gas turbine power generation system, thereby converting the thermal energy back into electricity for the grid. The cold particles leaving the heat exchanger are returned to the storage silos by a well-insulated particle conveyor. This ETES technology using particle TES can be sited anywhere and is predicted to be economic and efficient. Moreover, this ETES technology could be co-located with a retired coal or gas plant to leverage existing power generation and grid infrastructure. Our work has focused on the development of each of the key components (e.g., the electric particle heater, particle storage silos, and the particle-to-gas pressurized fluidized bed heat exchanger) through conceptual designs, prototype testing, and computational modeling. These developments demonstrate technological feasibility and are an important step towards the next phase of development of this promising LDES technology. This presentation will show the progress in developing a pilot demonstration of the ETES system on a commercially relevant scale.

25 ENERGY STORAGE↗

Springtime Drought Shifts Carbon Partitioning of Recent Photosynthates in 10-Year Old Picea mariana Trees, Causing Restricted Canopy Development

Springtime bud-break and shoot development induces substantial carbon (C) costs in trees. Drought stress during shoot development can impede C uptake and translocation. This is therefore a channel through which water shortage can lead to restricted shoot expansion and physiological capacity, which in turn may impact annual canopy C uptake. We studied effects of drought and re-hydration on early season shoot development, C uptake and partitioning in five individual 10-year old Picea mariana [black spruce] trees to identify and quantify dynamics of key morphological/physiological processes. Trees were subjected to one of two treatments: (i) well-watered control or (ii) drought and rehydration. We monitored changes in morphological [shoot volume, leaf mass area (LMA)], biochemical [osmolality, non-structural carbohydrates (NSC)] and physiological [rates of respiration (R d ) and light-saturated photosynthesis ( A sat )] processes during shoot development. Further, to study functional compartmentalization and use of new assimilates, we 13 C-pulse labeled shoots at multiple development stages, and measured isotopic signatures of leaf respiration, NSC pools and structural biomass. Shoot water potential dropped to a minimum of −2.5 MPa in shoots on the droughted trees. Development of the photosynthetic apparatus was delayed, as shoots on well-watered trees broke-even 14 days prior to shoots from trees exposed to water deficit. R d decreased with shoot maturation as growth respiration declined, and was lower in shoots exposed to drought. We found that shoot development was delayed by drought, and while rehydration resulted in recovery of A sat to similar levels as shoots on the well-watered trees, shoot volume remained lower. Water deficit during shoot expansion resulted in longer, yet more compact (i.e., with greater LMA) shoots with greater needle osmolality. The 12 C: 13 C isotopic patterns indicated that internal C partitioning and use was dependent on foliar developmental and hydration status. Shoots on drought-stressed trees prioritized allocating newly fixed C to respiration over structural components. In conclusion, temporary water deficit delayed new shoot development and resulted in greater LMA in black spruce. Since evergreen species such as black spruce retain active foliage for multiple years, impacts of early season drought on net primary productivity could be carried forward into subsequent years.

54 ENVIRONMENTAL SCIENCES↗

An overview of the gene regulatory network controlling trichome development in the model plant, Arabidopsis

Trichomes are specialized epidermal cells located on aerial parts of plants and are associated with a wide array of biological processes. Trichomes protect plants from adverse conditions including UV light and herbivore attack and are also an important source of a number of phytochemicals. The simple unicellular trichomes of Arabidopsis serve as an excellent model to study molecular mechanism of cell differentiation and pattern formation in plants. The emerging picture suggests that the developmental process is controlled by a transcriptional network involving three major groups of transcription factors (TFs): the R2R3 MYB, basic helix-loop-helix (bHLH), and WD40 repeat (WDR) protein. These regulatory proteins form a trimeric activator complex that positively regulates trichome development. The single repeat R3 MYBs act as negative regulators of trichome development. They compete with the R2R3 MYBs to bind the bHLH factor and form a repressor complex. In addition to activator–repressor mechanism, a depletion mechanism may operate in parallel during trichome development. In this mechanism, the bHLH factor traps the WDR protein which results in depletion of WDR protein in neighboring cells. Consequently, the cells with high levels of bHLH and WDR proteins are developed into trichomes. A group of C2H2 zinc finger TFs has also been implicated in trichome development. Phytohormones, including gibberellins and jasmonic acid, play significant roles in this developmental process. Recently, microRNAs have been shown to be involved in trichome development. Furthermore, it has been demonstrated that the activities of the key regulatory proteins involved in trichome development are controlled by the 26S/ubiquitin proteasome system (UPS), highlighting the complexity of the regulatory network controlling this developmental process. To complement several excellent recent relevant reviews, this review focuses on the transcriptional network and hormonal interplay controlling trichome development in Arabidopsis.

59 BASIC BIOLOGICAL SCIENCES↗

The Plant Ontology Facilitates Comparisons of Plant Development Stages Across Species

The Plant Ontology (PO) is a community resource consisting of standardized terms, definitions, and logical relations describing plant structures and development stages, augmented by a large database of annotations from genomic and phenomic studies. This paper describes the structure of the ontology and the design principles we used in constructing PO terms for plant development stages. It also provides details of the methodology and rationale behind our revision and expansion of the PO to cover development stages for all plants, particularly the land plants (bryophytes through angiosperms). As a case study to illustrate the general approach, we examine variation in gene expression across embryo development stages in Arabidopsis and maize, demonstrating how the PO can be used to compare patterns of expression across stages and in developmentally different species. Although many genes appear to be active throughout embryo development, we identified a small set of uniquely expressed genes for each stage of embryo development and also between the two species. Evaluating the different sets of genes expressed during embryo development in Arabidopsis or maize may inform future studies of the divergent developmental pathways observed in monocotyledonous versus dicotyledonous species. The PO and its annotation database (http://www.planteome.org) make plant data for any species more discoverable and accessible through common formats, thus providing support for applications in plant pathology, image analysis, and comparative development and evolution.

Plant Sciences↗

Developing and Deploying Universal Diagnostic Platforms for One-Health Biosurveillance

ObjectiveOur goal is to develop deployable strategies for infectious disease diagnosis at the point-of-care that are applicable to multiple hosts of infection - conforming to the global One Health Strategy for diagnostics. We aim to develop methods that do not require prior knowledge of the pathogen in question, and can facilitate rapid and effective decision-making and situational awareness.IntroductionThere is an urgent need for diagnostic strategies for infections which are host-independent, so as to effectively track zoonotic spread, monitor animal carriers of pathogens, and evaluate transmission dynamics. Infection of a host - pathogen or human- by an animal results in recognition by the immune response, which consequently causes release of inflammatory mediators. Many scientists have explored the use of cytokines as diagnostic indicators of disease, but the conserved nature of the immune response in humans and animals results in cross-reactivity among many pathogens, making evaluation of the results difficult, especially in high disease burden populations. Measuring the pathogen-specific signature, however, is advantageous - as it offers discrete identification of active infection, and discrimination from exposure. It also offers a universal strategy that can be applied to human and animal hosts of infection - allowing for One Health Biosurveillance. Achieving this, however, requires the development of a) tailored strategies for the measurement of biochemically disparate pathogen signatures in clinical samples and b) ultra-sensitive detection of such signatures in the host. The sensor team at Los Alamos National Laboratory is working on both of these aspects, and the development of One Health Diagnostic platforms, the focus of the work presented here.MethodsMany of the biomarkers secreted by bacterial pathogens and recognized by innate immune receptors elicit host cytokine responses that are amphiphilic (largely glycolipids, lipoproteins or lipoglycans). Based on such, our team has developed tailored methods – membrane insertion and lipoprotein capture for the capture and detection of these greasy and stealthy molecules in infected blood. Sensitivity and specificity, assay optimization, alinearity associated with lipidic molecules and assay parameter development for biomarkers associated with bacterial pathogens will be presented. Considerations for clinical sampling for amphiphile detection in blood, and clinical study design will be demonstrated. Our team has developed an ultra-sensitive biosensor for detection of biomarkers in complex matrices based on the evanescent field properties of single mode planar optical waveguides. Detection of amphiphilic biomarkers in clinical samples, using the waveguide-based biosensor and tailored methods for the detection of such molecules has allowed for the diagnosis of infection in both human and animals hosts. Herein, we present two examples of the same; 1) diagnosis of tuberculosis in humans, cattle and badgers using pathogen-based diagnostic strategies; and 2) detection of Gram-negative Lipopolysacharides in beef and in patients with Salmonella-induced sepsis.ResultsWe have developed tailored ultra-sensitive waveguide-biosensor assays for the detection of Lipoarabinomannan (and other biomarkers) from Mycobacteria and demonstrated feasibility in blinded clinical studies in humans and cattle, demonstrating one -health compatibility.We have also demonstrated detection of lipopolysacharides from eight different serotypes of Shiga-toxin carrying E. coli in beef, and Salmonella Typhimurium in pediatric patients using the same approach.ConclusionsWe have demonstrated clinical feasibility of a One Health Strategy for point-of-care diagnostics of bacterial infections in blood for tuberculosis and Gram-negative pathogens in clinical samples. The results will be demonstrated with several discussion points on the consideration of unconventional biochemistry of pathogens for diagnostics, factors influencing point-of-care deployment and integration of diagnostic platforms for biosurveillance. One Health Considerations and challenges therein will also merit discussion.ReferencesSakamuri, R; et al. Accurate Tracking of Bovine Tuberculosis Biomarkers in Infected Cattle using a Novel Biomarker Capture Strategy, Analytical Sciences, 33(4): 457-460, 2017.Noormohammed A et al. Detection of Salmonella LPS in Patient blood by Lipoprotein Capture. Proc. SPIE 10072, Optical Diagnostics and Sensing XVII: Toward Point-of-Care Diagnostics, 100720A , 2017. doi:10.1117/12.2253506Stromberg L et al. Membrane Insertion for the Detection of Lipopolysaccharides: Exploring the Dynamics of Amphiphile-in-Lipid Assays, PloS One, April 2016.Sakamuri RM et al. Association of lipoarabinomannan with high density lipoprotein in blood: implications for diagnostics.Tuberculosis (Edinb). 2013 May;93(3):301-7. doi: 10.1016/j.tube.2013.02.015. Epub 2013 Mar 16Mukundan H et al. Understanding the interaction of Lipoarabinomannan with membrane mimetic architectures. Tuberculosis, 92(1) 32-47, 2012.Mukundan H et al., Waveguide-based Sensors for Pathogen Detection, Invited Review, Sensors, 9(7), 5783-5809.

Mukundan, Harshini↗

The National Carbon Capture Center at the Power Systems Development Facility

The Power Systems Development Facility (PSDF) is a state-of-the-art test center sponsored by the U.S. Department of Energy (DOE) and dedicated to the advancement of clean coal technology. In addition to the development of high efficiency coal gasification processes, the PSDF features the National Carbon Capture Center (NCCC) to promote new technologies for CO2 capture from coal-derived flue gas and syngas. The NCCC includes multiple, adaptable test skids that allow technology development of CO2 capture concepts using coal-derived flue gas and syngas in industrial settings. Because of the ability to operate under a wide range of flow rates and process conditions, research at the NCCC can effectively evaluate technologies at various levels of maturity and accelerate their development paths to commercialization. During the calendar year 2013 portion of the Budget Period Four reporting period, efforts at the NCCC focused on post-combustion CO2 capture, gasification, and pre-combustion CO2 capture technology testing. Preparations for future testing were on-going as well, and involved facility upgrades and collaboration with numerous technology developers. In the area of post-combustion, testing was conducted on an enzyme-based technology, advanced solvents from two major developers, and a gas separation membrane. During the year, the gasification process was operated for three test runs, supporting development of water-gas shift and COS hydrolysis catalysts, a mercury sorbent, and several gasification support technologies. Syngas produced during gasification operation was also used for pre-combustion capture technologies, including gas separation membranes from three different technology developers, a CO2 sorbent, and CO2 solvents.

None, None↗

Development of ITM Oxygen Technology for Low-cost and Low-emission Gasification and Other Industrial Applications

Air Products is carrying out a scope of work under DOE Award No. DE-FE0012065 “Development of ITM Oxygen Technology for Low-cost and Low-emission Gasification and Other Industrial Applications.” The Statement of Project Objectives (SOPO) includes a Task 4f in which a Decision Point shall be reached, necessitating a review of Tasks 2-5 with an emphasis on Task 4f. This Topical Report constitutes the Decision Point Application pertaining to Task 4f. The SOPO under DOE Award No. DE-FE0012065 is aimed at furthering the development of the Ion Transport Membrane (ITM) Oxygen production process toward a demonstration scale facility known as the Oxygen Development Facility (ODF). It is anticipated that the completion of the current SOPO will advance the technology significantly along a pathway towards enabling the design and construction of the ODF. Development progress on several fronts is critical before an ODF project can commence; this Topical Report serves as an early update on the progress in critical development areas. Progress was made under all tasks, including Materials Development, Ceramic Processing Development, Engineering Development, and Performance Testing. Under Task 4f, Air Products carried out a cost and performance study in which several process design and cost parameters were varied and assessed with a process model and budgetary costing exercise. The results show that the major variables include ceramic module reliability, ITM operating temperature, module production yield, and heat addition strategy. High-temperature compact heat exchangers are shown to contribute significant cost benefits, while directly firing into the feed stream to an ITM are even a mild improvement on the high-temperature recuperation approach. Based on the findings to-date, Air Products recommends no changes to the content or emphasis in the current SOPO and recommends its completion prior to another formal assessment of these factors.

Armstrong, Phillip↗

An integrated systems-based approach to mercury research and technology development

A 3-year strategic planning process was undertaken in Oak Ridge, Tennessee, to develop a research and technology development approach that can help guide mercury remediation in East Fork Poplar Creek (EFPC). Mercury remediation is a high priority for the US Department of Energy s (DOE s) Oak Ridge Office of Environmental Management because of large historical losses of mercury to the environment at the Y-12 National Security Complex (Y-12). Because of the extent of mercury losses and the complexities of mercury transport and fate in the stream environment, the success of conventional options for mercury remediation in the downstream sections of EFPC is uncertain. The overall Oak Ridge mercury remediation strategy focuses on mercury treatment actions at Y-12 in the short-term and research and technology development to evaluate longer-term solutions in the downstream environment. The technology development strategy is consistent with a phased, adaptive management paradigm and DOE s Technology Readiness Level guidelines. That is, early evaluation includes literature review, site characterization, and small-scale studies of a broad number of potential technologies. As more information is gathered, technologies that may have the most promise and potential remediation benefit will be chosen for more extensive and larger-scale pilot testing before being considered for remedial implementation. Field and laboratory research in EFPC is providing an improved level of understanding of mercury transport and fate processes in EFPC that will inform the development of site-specific remedial technologies. Technology development has centered on developing strategies that can mitigate the primary factors affecting mercury risks in the stream: (1) the amount of inorganic mercury available to the stream system, (2) the conversion of inorganic mercury to methylmercury, and (3) the bioaccumulation of methylmercury through the food web. Given the downstream complexities and interdependencies between sources and processes in EFPC, no one task or approach is likely to solve the mercury problem in the creek, thus highlighting the importance of using an integrated, systems-based approach to develop remedial solutions.

Peterson, Mark J↗

Phased Development of Accident Tolerant Fue

The United States Department of Energy (U.S. DOE) Advanced Fuels Campaign (AFC) has adopted a three-phase approach for the development and eventual commercialization of enhanced, accident tolerant fuel (ATF) for light water reactors (LWRs). Extending from 2012 to 2016, AFC is currently coming to the end of Phase 1 research that has entailed Feasibility Assessment and Prioritization for a large number of proposed fuel systems (fuel and cladding) that could provide improved performance under accident conditions. Phase 1 activities will culminate with a prioritization of concepts for both near-term and long-term development based on the available experimental data and modeling predictions. This process will provide guidance to DOE on what concepts should be prioritized for investment in Phase 2 Development/Qualification activities based on technical performance improvements and probability of meeting the aggressive schedule to insert a lead fuel rod (LFR) in a commercial power reactor by 2022. While Phase 1 activities include small-scale fabrication work, materials characterization, and limited irradiation of samples, Phase 2 will require development teams to expand to industrial fabrication methods, conduct irradiation tests under more prototypic reactor conditions (i.e. in contact with reactor primary coolant at LWR conditions and in-pile transient testing), conduct additional characterization and post-irradiation examination, and develop a fuel performance code for the candidate ATF. Phase 2 will culminate in the insertion of an LFR (or lead fuel assembly) in a commercial power reactor. The Phase 3 Commercialization work will extend past 2022. Following post-irradiation examination of LFRs, partial-core reloads will be demonstrated. The commercialization phase will further entail the establishment of commercial fabrication capabilities and the transition of LWR cores to the new fuel. The three development phases described roughly correspond to the technology readiness levels (TRL) defined for nuclear fuel development. TRL 1–3 corresponds to the “proof-of-concept” stage (Phase 1), TRL 4–6 to “proof-of-principle” (Phase 2), and TRL 7–9 to “proof-of-performance” (Phase 3). This paper will provide an overview of the anticipated activities within each phase of development and will provide an update on the current ATF development status.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Crossing the Barriers: An Analysis of Land Access Barriers to Geothermal Development and Potential Improvement Scenarios

Developers have identified many non-technical barriers to geothermal power development, including access to land. Activities required for accessing land, such as environmental review and private and public leasing can take a considerable amount of time and can delay or prevent project development. This paper discusses the impacts to available geothermal resources and deployment caused by land access challenges, including tribal and cultural resources, environmentally sensitive areas, biological resources, land ownership, federal and state lease queues, and proximity to military installations. In this analysis, we identified challenges that have the potential to prevent development of identified and undiscovered hydrothermal geothermal resources. We found that an estimated 400 MW of identified geothermal resource potential and 4,000 MW of undiscovered geothermal resource potential were either unallowed for development or contained one or more significant barriers that could prevent development at the site. Potential improvement scenarios that could be employed to overcome these barriers include (1) providing continuous funding to the U.S. Forest Service (USFS) for processing geothermal leases and permit applications and (2) the creation of advanced environmental mitigation measures. The model results forecast that continuous funding to the USFS could result in deployment of an additional 80 MW of geothermal capacity by 2030 and 124 MW of geothermal capacity by 2050 when compared to the business-as-usual scenario. The creation of advanced environmental mitigation measures coupled with continuous funding to the USFS could result in deployment of an additional 97 MW of geothermal capacity by 2030 and 152 MW of geothermal capacity by 2050 when compared to the business-as-usual scenario. The small impact on potential deployment in these improvement scenarios suggests that these 4,400 MW have other barriers to development in addition to land access. In other words, simply making more resources available for development does not increase deployment; however, impacts to deployment could increase when coupled with other improvements (e.g., permitting, market and/or technology improvements).

15 GEOTHERMAL ENERGY↗

Development and Validation of a Simulation Testbed for the Intelligent Building Agents Laboratory (IBAL) Using TRNSYS

This paper documents the development and validation of a dynamic primary cooling and thermal storage system simulation testbed. The system simulation testbed, sIBAL, is based on the Intelligent Building Agents Laboratory (IBAL) at the National Institute of Standards and Technology (NIST), which is a research infrastructure and testbed for the development, evaluation, and demonstration of intelligent control algorithms. The sIBAL testbed developed in this project will serve as a virtual twin of the real facility for future control algorithm development. The details of the methodologies used to develop and validate the simulation testbed, which replicates the dynamic behaviors of the primary cooling and ice storage system in the IBAL facility, are presented. The simulation testbed was developed in TRNSYS using built-in component models and MATLAB functions to replicate the two water-cooled chillers, a thermal storage tank, pumps, valves and other components for four different operation modes. Experiments on IBAL components were designed and executed to generate experimental data for model development and verification of the simulation platform. The validation of the simulation results was carried out in two phases: 1) independent component simulations for the chillers and thermal storage tank, and 2) a combined testbed simulation of the entire hydronic system. Comparison of simulation results to the experimental data obtained from the IBAL facility showed errors within 1 °C for the temperatures outputs of both the chiller and the thermal storage model. The error is within an acceptable range for further intelligent control algorithms development. The findings from the study are summarized and presented along with areas where additional research is needed. In addition, data filtering procedures and model refinement measures utilized to improve the accuracy and accelerate the computation time of the simulation are presented.

cooling systems↗

Opening Doors of Opportunity to Develop the Future Nuclear Workforce - 13325

The United States' long-term demand for highly skilled nuclear industry workers is well-documented by the Nuclear Energy Institute. In addition, a study commissioned by the SRS Community Reuse Organization concludes that 10,000 new nuclear workers are needed in the two-state region of Georgia and South Carolina alone. Young adults interested in preparing for these nuclear careers must develop specialized skills and knowledge, including a clear understanding of the nuclear workforce culture. Successful students are able to enter well-paying career fields. However, the national focus on nuclear career opportunities and associated training and education programs has been minimal in recent decades. Developing the future nuclear workforce is a challenge, particularly in the midst of competition for similar workers from various industries. In response to regional nuclear workforce development needs, the SRS Community Reuse Organization established the Nuclear Workforce Initiative (NWI{sup R}) to promote and expand nuclear workforce development capabilities by facilitating integrated partnerships. NWI{sup R} achievements include a unique program concept called NWI{sup R} Academies developed to link students with nuclear career options through firsthand experiences. The academies are developed and conducted at Aiken Technical College and Augusta Technical College with support from workforce development organizations and nuclear employers. Programs successfully engage citizens in nuclear workforce development and can be adapted to other communities focused on building the future nuclear workforce. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Phased development of accident tolerant fuel

The United States Department of Energy (U.S. DOE) Advanced Fuels Campaign (AFC) has adopted a three-phase approach for the development and eventual commercialization of enhanced, accident tolerant fuel (ATF) for light water reactors (LWRs). Extending from 2012 to 2016, AFC is currently coming to the end of Phase 1 research that has entailed Feasibility Assessment and Prioritization for a large number of proposed fuel systems (fuel and cladding) that could provide improved performance under accident conditions. Phase 1 activities will culminate with a prioritization of concepts for both near-term and long-term development based on the available experimental data and modeling predictions. This process will provide guidance to DOE on what concepts should be prioritized for investment in Phase 2 Development/Qualification activities based on technical performance improvements and probability of meeting the aggressive schedule to insert a lead fuel rod (LFR) in a commercial power reactor by 2022. While Phase 1 activities include small-scale fabrication work, materials characterization, and limited irradiation of samples, Phase 2 will require development teams to expand to industrial fabrication methods, conduct irradiation tests under more prototypic reactor conditions (i.e. in contact with reactor primary coolant at LWR conditions and in-pile transient testing), conduct additional characterization and post-irradiation examination, and develop a fuel performance code for the candidate ATF. Phase 2 will culminate in the insertion of an LFR (or lead fuel assembly) in a commercial power reactor. The Phase 3 Commercialization work will extend past 2022. Following post-irradiation examination of LFRs, partial-core reloads will be demonstrated. The commercialization phase will further entail the establishment of commercial fabrication capabilities and the transition of LWR cores to the new fuel. The three development phases described roughly correspond to the technology readiness levels (TRL) defined for nuclear fuel development. TRL 1-3 corresponds to the 'proof-of-concept' stage (Phase 1), TRL 4-6 to 'proof-of-principle' (Phase 2), and TRL 7-9 to 'proof-of-performance' (Phase 3). This paper will provide an overview of the anticipated activities within each phase of development and will provide an update on the current ATF development status. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Integrated, Systems-Based Approach to Mercury Research and Technology Development - 17252

A 3-year strategic planning process was undertaken in Oak Ridge, Tennessee, to develop a research and technology development approach that can help guide mercury remediation in East Fork Poplar Creek (EFPC). Mercury remediation is a high priority for the US Department of Energy's (DOE's) Oak Ridge Office of Environmental Management because of large historical losses of mercury to the environment at the Y-12 National Security Complex (Y-12). Because of the extent of mercury losses and the complexities of mercury transport and fate in the stream environment, the success of conventional options for mercury remediation in the downstream sections of EFPC is uncertain. The overall Oak Ridge mercury remediation strategy focuses on mercury treatment actions at Y-12 in the short-term and research and technology development to evaluate longer-term solutions in the downstream environment. The technology development strategy is consistent with a phased, adaptive management paradigm and DOE's Technology Readiness Level guidelines. That is, early evaluation includes literature review, site characterization, and small-scale studies of a broad number of potential technologies. As more information is gathered, technologies that may have the most promise and potential remediation benefit will be chosen for more extensive and larger-scale pilot testing before being considered for remedial implementation. Field and laboratory research in EFPC is providing an improved level of understanding of mercury transport and fate processes in EFPC that will inform the development of site-specific remedial technologies. Technology development has centered on developing strategies that can mitigate the primary factors affecting mercury risks in the stream: (1) the amount of inorganic mercury available to the 1 This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).stream system, (2) the conversion of inorganic mercury to methylmercury, and (3) the bioaccumulation of methylmercury through the food web. Given the downstream complexities and interdependencies between sources and processes in EFPC, no one task or approach is likely to solve the mercury problem in the creek, thus highlighting the importance of using an integrated, systems-based approach to develop remedial solutions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The long road to groundwater RODs on the ORR: development of a regional groundwater model - 15632

This paper describes the first year of planning and development for the Oak Ridge Reservation (ORR) regional groundwater flow model (ORGFM). The first stage involved the creation of a groundwater model Technical Advisory Group (TAG), made up of local and national industry experts to support the model development. As a first step in the model development process, a smaller-scale model (a Test Case Model) is being developed to test the modeling tools and approach being considered for the regional model. The Test Case Model is allowing the team to identify and develop work-flow processes on a small scale prior to developing the large, regional-scale model. The modeling team currently is testing the combined use of EarthVision{sup R} and MODFLOW-USG (a modular finite-difference flow model using un-structured grids) to develop the regional-scale model. It is anticipated that the ORGFM will be completed by 2016. This paper presents the progress of the ORGFM model development. (authors)

54 ENVIRONMENTAL SCIENCES↗

Development of a Technical Standard for Radiological Characterization of DAW - 19552

Since the Manhattan Project, the U.S. Department of Energy (DOE) and its predecessor agencies have performed a wide mission involving nuclear materials and weapons development, production, testing, and modernization. While the initial mission components relied heavily upon reactor physics and chemistry, the environmental programs have increasingly relied upon development of more accurate and effective measurement methodologies to determine the radiological and chemical properties of the unique waste streams that were generated during the weapons production and testing mission. During the ongoing site cleanup program, the DOE laboratories and former production sites have developed a wide range of site-specific processes and procedures for conducting radiological characterization of dry active waste (DAW) that is managed as low-level radioactive waste. This has resulted in a Complex-wide variability among sites with respect to the methodologies and instrumentation used to characterize individual waste streams. The DAW-type waste was selected for development of a characterization standard since it is a simple, voluminous, and repetitive waste stream with a substantial knowledge base, established experience history at multiple site locations, and the potential for realization of programmatic benefits though standardization. Implementation of a consistent, standardized approach to DAW characterization will take advantage of multiple applications for a technology that is both mature and stable. The DAW characterization process is repetitive and lends itself to implementation at a wide range of operating locations - resulting in economies of scale, compliance with regulatory requirements, and consistent implementation of procedures which support design, operations, maintenance, and management of facilities, activities and environmental restoration programs. In response to a request from DOE, the Energy Facility Contractors Group (EFCOG) Waste Management Working Group (WMWG) is supporting the development of a new DOE Technical Standard for Radiological Characterization of DAW. The purpose of the proposed new standard is to provide a technical resource that integrates and enhances the utilization of current site-specific methodologies and processes. An EFCOG/WMWG technical team has prepared a Technical Basis Document (TBD) to support the development and utilization of the new standard. The TBD provides detailed reference information for use by site personnel when implementing the guidance to be provided in the standard. It also provides the rationale for and details concerning the recommended technical approaches for radiological characterization of representative DAW-type waste streams. The TBD is an essential resource and will be included as an appendix to the proposed standard. Formulation of the new standard will draw upon the information contained in the TBD in order to integrate and improve the utilization of current site-specific methodologies and processes. It will also include a comparison of current radiological characterization methodologies to determine which ones are most reliable and effective in producing relevant and valid data. In view of the long history and participation by several agencies in the regulation of nuclear programs, existing Voluntary Consensus Standards have also been identified in the TBD and will be referenced for relevancy and applicability to the new proposed standard. A Project Justification Statement (PJS) was also developed by the EFCOG/WMWG Team. Following internal Team review and approval by EFCOG, the draft PJS was submitted through Argonne National Laboratory (ANL) and the DOE Argonne Site Office Technical Standards Managers for review and approval by the DOE Argonne Site Office Manager. After resolution of comments and approval by the Manager, the PJS will be submitted to the DOE/HQ Technical Standards Program Manager (TSPM) for formal coordination. Following resolution of technical comments received during the PJS coordination process and receipt of a technical standards project number assigned by the TSPM, the Team will confirm the overall preparation schedule and develop an Internal Draft Technical Standard for coordination with the DOE Argonne Site Office. Following comment resolution, the Team will then prepare a Coordination Draft for submittal to the DOE Technical Standards RevCom review process and will respond to comments generated during this Complex-wide review. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗