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Progress report on the incorporation of lower lengthscales into polycrystal plasticity models - Part 2

Creep is the time-dependent, irreversible deformation that occurs at a low rate, at stresses below the ultimate stress of the material. Non-hydrostatic stresses (i.e. shear stresses) are required for creep. The kinds of creep relevant in cladding materials are (1) thermal creep, and (2) irradiation creep. These deformation processes require elevated temperatures, and applied stresses. Both processes are mediated by the motion of dislocations. Dislocations preferentially absorb either vacancies or interstitials, causing them to climb over obstacles. In thermal creep, the higher temperature causes high mobility of point defects, leading to a significant absorption rate of point defects by dislocations, leading to dislocation motion. In irradiation creep, the high radiation flux causes a supersaturation of point defects, that in turn leads to point defect absorption, and consequently dislocation motion. Irradiation growth is defined as the irradiation induced dimensional changes that take place in the absence of applied stresses, and is caused by the partitioning of vacancies and interstitials among two or more kinds of sinks. Each kind of sink produces strain in a different crystallographic direction, such that the final deformation is anisotropic, and is volume conserved. In this phenomenon, the high radiation flux causes the supersaturation of point defects. These point defects then tend to aggregate into dislocation loops (either interstitial of vacancy). These loops then absorb more point defects, thereby growing in size, and leading to macroscopic strain. The two phenomena of creep and growth become coupled in polycrystalline materials. Growth in a single grain is opposed by stresses caused by interaction of the growing grain with its neighbors (that are also growing, but it in different directions). These stresses initiate and/or potentiate irradiation creep. In extreme cases, such as accident scenarios, thermal creep becomes important. Internal stresses in turn affect the diffusive characteristics of point defects within a grain, and consequently affecting the phenomenon of growth. In this report, we examine the coupling between creep and growth in a polycrystalline materials, and also look at the atomistic mechanisms that contribute to these phenomena.

36 MATERIALS SCIENCE↗

Mechanism and Significance of Post-Translational Modifications in the Large (LS) and Small (SS) Subunits of Ribulose-1,5 Bisphosphate Carboxylase/Oxygenase

This project focused on a molecular and biochemical characterization of the protein methyltransferases responsible for methylation of the LS and SS in Rubisco, and the associated functional consequences accompanying these modifications. Our results provided some of the most informative structural and mechanistic understandings of SET domain protein methyltransferases. These results also positioned us to provide the first unambiguous assignment of the kinetic reaction mechanism for SET-domain protein methyltransferases, and to design and engineer an alternative substrate for Rubisco LSMT, enabling substrate specificity and functional significance studies. We demonstrated that the minimal substrate recognized by Rubisco LSMT is free lysine as well as monomethyllysine, an observation corroborated both by structural analyses as well as enzymatic activity and subsequent product distribution analyses. Ternary complexes between Rubisco LSMT and free lysine compared to complexes with monomethyllysine demonstrated that the structural basis for multiple methyl group additions is a consequence of hydrogen-bond driven spatial shifts in the amino group of Lys-14, which maintains the direct in-line geometry necessary for SN2 nucleophilic attack.

59 BASIC BIOLOGICAL SCIENCES↗

More bang for your buck: Towards super-adiabatic quantum engines

The reversible nature of thermodynamical cycles is an idealisation based on the assumption of perfect adiabatic dynamics. As a consequence of this assumption, ideal engines operate at the maximum efficiency but have zero power. Realistic engines, on the other hand, operate in finite time and are intrinsically irreversible, implying friction effects at short cycle times. The engineering goal is to find the maximum efficiency allowed at the maximum possible power. In the current technological age, with our ability to manipulate devices at the nanoscale and beyond, one must understand the consequences of engines which operate at the quantum mechanical level. In this domain one cannot avoid the emergence of both quantum and thermal fluctuations which drastically alter the energetics of the cycle. Very recently, it has been shown that the Hamiltonian of a quantum system maybe manipulated in such a way as to mimic an adiabatic process via a non-adiabatic shortcut. A surge of experimental progress has demonstrated several of these proposals in the laboratory. Remarkably, we show that by utilising shortcuts to adiabatically in a quantum engine cycle, one can do reversible thermodynamics in a finite time, thus arranging for a thermodynamical cycle working at finite power and zero friction. Our findings are elucidated using a harmonic oscillator undergoing a quantum Otto cycle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Laboratory Evaluation of Energy Recovery Ventilators

Over the years, building scientists have characterized the relationship between building airtightness, exhaust-only appliances airflows, and building depressurization. Now, as the use of deep retrofit measures and new construction practices is growing to realize lower infiltration levels in increasingly tighter envelopes, performance issues can arise with the operation of exhaust-only appliances in a depressurized home. As the depressurization levels climb in tighter homes, many of these exhaust-only appliances see their rated airflows reduced and other related performance issues arise as a result. If sufficiently depressurized, atmospherically vented combustion appliances that may be present in the home can backdraft as well. Furthermore, when exhaust-only appliances operate and the tight home becomes depressurized, water vapor intrusion from outdoors can raise additional issues of mold in the building envelope in more humid climates. The use of energy recovery ventilators (ERVs) in tight homes in mixed-humid and hot-humid climates is already practiced. Unbalancing the ERV by reducing exhaust airflows can provide a means to supply makeup air and reduce the level of home depressurization to mitigate these issues, helping to realize the rated performance of the exhaust-only appliances, achieve safe operation of atmospherically vented combustion, provide the necessary level of fresh ventilation air, and/or improve envelope durability. The unbalanced operation of the ERV to address depressurization can obviously result in unintended consequences in other areas, such as further loss of humidity control in homes in more humid climates. In such tight home scenarios, it is expected that ERVs will operate a substantial amount of time in unbalanced mode with much higher supply than exhaust airflows. Although ERV design performance under balanced flow conditions is well documented, there is no information in the public domain that empirically establishes the effect of unbalanced flow on sensible and latent exchange, especially in the now dominant membrane-type ERV used in residential applications. Therefore, in this task, Gas Technology Institute (GTI) focused on a laboratory evaluation of the unbalanced flow (lowered exhaust airflow) performance of the RenewAire model EV 200, membrane-type ERV delivering 200 standard cubic feet per minute (SCFM) of supply air. The conducted tests show significant variation in ERV effectiveness at different levels of unbalanced air flows. Keeping supply airflow constant and lowering exhaust airflow increases effectiveness of both latent and sensible heat exchange. However, the increased effectiveness is accompanied by reduced capacity for load removal from the supply air, resulting in increased load to the conditioned space. Under decreasing exhaust airflow conditions, sensible load effectiveness exceeded a value of 1 at two sets of testing conditions. This was a result of the temperature rise of the supply air passing through the ERV augmented by the effect of motor heat gain, cross leakage heat gain, and casing heat gain. Consequently, measured sensible effectiveness must be qualified as the so-called Apparent Sensible Effectiveness of the ERV unit (the term used in the Canadian Standards Association C439 standard for testing ERVs).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The Effect of Grit on Frictional Heating During Oblique Impacts with PBX 9501

Technicians working at the Pantex Plant routinely perform assembly/disassembly operations on weapons containing plastic-bonded explosives (PBXs). With high explosives (HE) operations comes the potential for high consequence accidents. As a result, a process for hazard analysis has been developed within the DOE-NNSA complex to identify and prevent HE-related accidents. Part of this process is to perform research to support or reject the safety basis upon which plant operations are authorized. Understanding the physics of HE response to a variety of mechanical and thermal insults is valuable to this process to: 1) assess risk probability to rank scenarios for the purpose of focusing resources to maximize benefit; 2) define screening thresholds to minimize risk for when an accident does occur; and 3) to develop engineered controls and administrative strategies to mitigate consequences when an accident occurs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect Of Oxidation On Chromium Leaching And Redox Capacity Of Slag-Containing Waste Forms

The rate of oxidation is important to the long-term performance of reducing salt waste forms because the solubility of some contaminants, e.g., technetium, is a function of oxidation state. TcO 4 - in the salt solution is reduced to Tc(IV) and has been shown to react with ingredients in the waste form to precipitate low solubility sulfide and/or oxide phases [Shuh, et al., 1994, Shuh, et al., 2000, Shuh, et al., 2003]. Upon exposure to oxygen, the compounds containing Tc(IV) oxidize to the pertechnetate ion, Tc(VII)O 4 - , which is very soluble. Consequently the rate of technetium oxidation front advancement into a monolith and the technetium leaching profile as a function of depth from an exposed surface are important to waste form performance and ground water concentration predictions. An approach for measuring contaminant oxidation rate (effective contaminant specific oxidation rate) based on leaching of select contaminants of concern is described in this report. In addition, the relationship between reduction capacity and contaminant oxidation is addressed. Chromate was used as a non-radioactive surrogate for pertechnetate in simulated waste form samples. Depth discrete subsamples were cut from material exposed to Savannah River Site (SRS) field cured conditions. The subsamples were prepared and analyzed for both reduction capacity and chromium leachability. Results from field-cured samples indicate that the depth at which leachable chromium was detected advanced further into the sample exposed for 302 days compared to the sample exposed to air for 118 days (at least 50 mm compared to at least 20 mm). Data for only two exposure time intervals is currently available. Data for additional exposure times are required to develop an equation for the oxidation front progression. Reduction capacity measurements (per the Angus-Glasser method, which is a measurement of the ability of a material to chemically reduce Ce(IV) to Ce(III) in solution) performed on depth discrete samples could not be correlated with the amount of chromium leached from the depth discrete subsamples or with the oxidation front inferred from soluble chromium (i.e., effective Cr oxidation front). Exposure to oxygen (air or oxygen dissolved in water) results in the release of chromium through oxidation of Cr(III) to highly soluble chromate, Cr(VI). Residual reduction capacity in the oxidized region of the test samples indicates that the remaining reduction capacity is not effective in re-reducing Cr(VI) in the presence of oxygen. Consequently, this method for determining reduction capacity may not be a good indicator of the effective contaminant oxidation rate in a relatively porous solid (40 to 60 volume percent porosity). The chromium extracted in depth discrete samples ranged from a maximum of about 5.8 % at about 5 mm (118 day exposure) to about 4 % at about 10 mm (302 day exposure). The use of reduction capacity as an indicator of long-term performance requires further investigation. The carbonation front was also estimated to have advanced to at least 28 mm in 302 days based on visual observation of gas evolution during acid addition during the reduction capacity measurements. Depth discrete sampling of materials exposed to realistic conditions in combination with short term leaching of crushed samples has potential for advancing the understanding of factors influencing performance and will support conceptual model development.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Applying QMU to Nuclear Weapon Stewardship

Quantification of Margins and Uncertainty (QMU) is a principle means and metric by which nuclear weapons performance is measured. At Lawrence Livermore National Laboratory (LLNL), Nuclear weapon QMU is predominately a Physics assessment of the performance margin and associated uncertainties of not achieving the designed nuclear performance. To more completely apply QMU to Nuclear Weapon Stewardship, a Systems Engineering or systematic approach is being employed to identify and define requirements, allowing assessment of performance with QMU. This paper describes the basics of QMU and how it is applied below the highest level nuclear performance function down and throughout the nuclear weapon design architecture. The intended audience for this paper is a novice QMU practitioner at LLNL. The application of QMU to the entire set of nuclear weapon functions demands a broad engagement of Science and Engineering disciplines. Using a hierarchical flow-down requirements structure, performance functions and failure modes are identified for all levels of system requirements. There can be multiple failure modes per functional requirement. For each function there is a spectrum of possible outputs that can vary from outright failure to excellent performance. The possible consequences and impacts on the next higher level functions will also vary. Since performance variations exist in a weapon functional hierarchy, the assessment process needs and benefits from a system perspective. Incorporating QMU into assessments using a Systems Engineering approach to stockpile management provides a means to quantify weapon performance risks against a multitude of possible failure modes and from the highest level functions down to the lowest level component functionality. Performance risk management is a core practice of nuclear weapon management. Assessing the likelihood and consequences of the many possible failure modes is done yearly as part of Annual Assessment Reviews (AAR). When annual surveillance discovers an anomaly defect as part of weapon surveillance, investigations are launched and QMU is a key tool for quantifying performance impacts. QMU assessments are separated into two pieces, failure mode assessments and QMU analysis.

42 ENGINEERING↗

Impacts Analyses Supporting the National Environmental Policy Act Environmental Assessment for the Resumption of Transient Testing Program

Environmental and health impacts are presented for activities associated with transient testing of nuclear fuel and material using two candidate test reactors. Transient testing involves irradiation of nuclear fuel or materials for short time-periods under high neutron flux rates. The transient testing process includes transportation of nuclear fuel or materials inside a robust shipping cask to a hot cell, removal from the shipping cask, pre-irradiation examination of the nuclear materials, assembly of an experiment assembly, transportation of the experiment assembly to the test reactor, irradiation in the test reactor, transport back to the hot cell, and post-irradiation examination of the nuclear fuel or material. The potential for environmental or health consequences during the transportation, examination, and irradiation actions are assessed for normal operations, off-normal (accident) scenarios, and transportation. Impacts to the environment (air, soil, and groundwater), are assessed during each phase of the transient testing process. This report documents the evaluation of potential consequences to the general public. This document supports the Environmental Assessment (EA) required by the U.S. National Environmental Policy Act (NEPA) (42 USC Subsection 4321 et seq.).

54 ENVIRONMENTAL SCIENCES↗

National Environmental Policy Act Hazards Assessment for the TREAT Alternative

This document provides an assessment of hazards as required by the National Environmental Policy Act for the alternative of restarting the reactor at the Transient Reactor Test (TREAT) facility by the Resumption of Transient Testing Program. Potential hazards have been identified and screening level calculations have been conducted to provide estimates of unmitigated dose consequences that could be incurred through this alternative. Consequences considered include those related to use of the TREAT Reactor, experiment assembly handling, and combined events involving both the reactor and experiments. In addition, potential safety structures, systems, and components for processes associated with operating TREAT and onsite handling of nuclear fuels and experiments are listed. If this alternative is selected, a safety basis will be prepared in accordance with 10 CFR 830, “Nuclear Safety Management,” Subpart B, “Safety Basis Requirements.”

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Climate Information Needs for Financial Decision Making

Climate Information Needs for Financial Decision Making (Final Report) This Department of Energy workshop award (grant #DE-SC0008480) provided primary support for the American Meteorological Society’s study on climate information needs for financial decision making. The goal of this study was to help advance societal decision making by examining the implications of climate variability and change on near-term financial investments. We explored four key topics: 1) the conditions and criteria that influence returns on investment of major financial decisions, 2) the climate sensitivity of financial decisions, 3) climate information needs of financial decision makers, and 4) potential new mechanisms to promote collaboration between scientists and financial decision makers. Better understanding of these four topics will help scientists provide the most useful information and enable financial decision makers to use scientific information most effectively. As a result, this study will enable leaders in business and government to make well-informed choices that help maximize long-term economic success and social wellbeing in the United States The outcomes of the study include a workshop, which brought together leaders from the scientific and financial decision making communities, a publication of the study report, and a public briefing of the results to the policy community. In addition, we will present the results to the scientific community at the AMS Annual Meeting in February, 2014. The study results were covered well by the media including Bloomberg News and E&E News. Upon request, we also briefed the Office of Science Technology Policy (OSTP) and the Council on Environmental Quality (CEQ) on the outcomes. We presented the results to the policy community through a public briefing in December on Capitol Hill. The full report is publicly available at www.ametsoc.org/cin. Summary of Key Findings The United States invests roughly $1.5 trillion U.S. dollars (USD) in capital assets each year across the public and private sectors (Orszag 2008; United States Census Bureau 2013). Extreme weather events create and exacerbate risks to these financial investments by contributing to: • Direct physical impacts on the investments themselves • Degradation of critical supporting infrastructure • Changes in the availability of key natural resources • Changes to workforce availability or capacity • Changes in the customer base • Supply chain disruptions • Legal liability • Shifts in the regulatory environment • Reductions in credit ratings Even small changes in weather can impact operations in critical economic sectors. As a result, maximizing returns on financial investments depends on accurately understanding and effectively accounting for these risks. Climate variability and change can either exacerbate existing risks or cause new sources of risk to emerge. Managing these risks most effectively will depend on scientific advances and increases in the capacity of financial decision makers to use the scientific knowledge that results. Barriers to using climate information must also be overcome. This study proposes three predefined levels of certainty for communicating about weather and climate risks: 1) possible (i.e., unknown likelihood or less than 50% chance of occurrence), 2) probable (greater than 50% chance of occurrence), and 3) effectively certain (at least 95% chance of occurrence). For example, it is effectively certain that a change in climate will alter weather patterns. It is probable that climate warming will cause increases in the intensity of some extreme events. It is possible that climate change will cause major and widespread disruptions to key planetary life-support services. Key recommendations of this study: 1) Identify climate-related risks and opportunities for financial decision making. 2) Create a framework to translate scientific information in clear and actionable terms for financial decision makers. 3) Analyze existing climate assessments and translate projected impacts into possible, probable, and effectively certain impacts. 4) Improve climate projections with respect to precipitation (timing, amount, and intensity), extreme events, and tails of probability distributions (i.e., low-probability but high-consequence events). 5) Increase spatial resolution of climate projections in order to provide climate information at the scale most relevant to financial investments. 6) Improve projections of the societal consequences of climate impacts through integrated assessments of physical, natural, and social sciences. 7) Create a user-friendly information repository and portal that provides easy access to information relevant to financial decision making. 8) Create and maintain opportunities to bring together financial decision makers, scientists, and service providers. Near-term financial decisions have long-term implications for the United States’ social and economic well-being that depend, in part, on climate variability and change. Investments will be most successful, and will advance the interests of society most effectively, if they are grounded in the best available knowledge & understanding.

54 ENVIRONMENTAL SCIENCES↗

Incremental learning for automated knowledge capture

People responding to high-consequence national-security situations need tools to help them make the right decision quickly. The dynamic, time-critical, and ever-changing nature of these situations, especially those involving an adversary, require models of decision support that can dynamically react as a situation unfolds and changes. Automated knowledge capture is a key part of creating individualized models of decision making in many situations because it has been demonstrated as a very robust way to populate computational models of cognition. However, existing automated knowledge capture techniques only populate a knowledge model with data prior to its use, after which the knowledge model is static and unchanging. In contrast, humans, including our national-security adversaries, continually learn, adapt, and create new knowledge as they make decisions and witness their effect. This artificial dichotomy between creation and use exists because the majority of automated knowledge capture techniques are based on traditional batch machine-learning and statistical algorithms. These algorithms are primarily designed to optimize the accuracy of their predictions and only secondarily, if at all, concerned with issues such as speed, memory use, or ability to be incrementally updated. Thus, when new data arrives, batch algorithms used for automated knowledge capture currently require significant recomputation, frequently from scratch, which makes them ill suited for use in dynamic, timecritical, high-consequence decision making environments. In this work we seek to explore and expand upon the capabilities of dynamic, incremental models that can adapt to an ever-changing feature space.

97 MATHEMATICS AND COMPUTING↗

National Environmental Policy Act Hazards Assessment for the TREAT Alternative

This document provides an assessment of hazards as required by the National Environmental Policy Act for the alternative of restarting the reactor at the Transient Reactor Test (TREAT) facility by the Resumption of Transient Testing Program. Potential hazards have been identified and screening level calculations have been conducted to provide estimates of unmitigated dose consequences that could be incurred through this alternative. Consequences considered include those related to use of the TREAT Reactor, experiment assembly handling, and combined events involving both the reactor and experiments. In addition, potential safety structures, systems, and components for processes associated with operating TREAT and onsite handling of nuclear fuels and experiments are listed. If this alternative is selected, a safety basis will be prepared in accordance with 10 CFR 830, “Nuclear Safety Management,” Subpart B, “Safety Basis Requirements.”

99 GENERAL AND MISCELLANEOUS↗

Bridging the Divide: Linking Genomics to Ecosystem Responses to Climate Change: Final Report

Over the project period, we have addressed the following objectives: 1) assess the effects of altered precipitation patterns (i.e., increased variability in growing season precipitation) on genetic diversity of the dominant C4 grass species, Andropogon gerardii, and 2) experimentally assess the impacts of extreme climatic events (heat wave, drought) on responses of the dominant C4 grasses, A. gerardii and Sorghastrum nutans, and the consequences of these response for community and ecosystem structure and function. Below is a summary of how we have addressed these objectives. Objective 1 After ten years of altered precipitation, we found the number of genotypes of A. gerardii was significantly reduced compared to the ambient precipitation treatments (Avolio et al., 2013a). Although genotype number was reduced, the remaining genotypes were less related to one another indicating that the altered precipitation treatment was selecting for increasingly dissimilar genomes (based on mean pairwise Dice distance among individuals). For the four key genotypes that displayed differential abundances depending on the precipitation treatment (G1, G4, and G11 in the altered plots and G2 in the ambient plots), we identified phenotypic differences in the field that could account for ecological sorting (Avolio & Smith, 2013a). The three altered rainfall genotypes also have very different phenotypic traits in the greenhouse in response to different soil moisture availabilities (Avolio and Smith, 2013c). Two of the genotypes that increased in abundance in the altered precipitation plots had greater allocation to root biomass (G4 and G11), while G1 allocated more biomass aboveground. These phenotypic differences among genotypes suggests that changes in genotypic structure between the altered and the ambient treatments has likely occurred via niche differentiation, driven by changes in soil moisture dynamics (reduced mean, increased variability and changes in the depth distribution of soil moisture) under a more variable precipitation regime, rather than reduced population numbers (A. gerardii tiller densities did not differ between altered and ambient treatments; p = 0.505) or a priori differences in genotype richness (Avolio et al.2013a). This ecological sorting of genotypes, which accounts for 40% of all sampled individuals in the altered plots, is an important legacy of the press chronic climate changes in the RaMPs experiment. Objective 2 In May 2010, we established the Climate Extremes Experiment at the Konza Prairie Biological Station. For the experiment, a gradient of temperatures, ranging from ambient to extreme, were imposed in 2010 and 2011 as a mid-season heat wave under well-watered or severe drought conditions. This study allowed us for the first time to examine species-specific thresholds of responses to climate extremes and assess how these phenotypic responses may impact selection of particular genotypes, with the ultimate goal of linking alterations in individual performance and genetic diversity to ecosystem structure and functioning. We found that tallgrass prairie was resistant to heat waves, but it was not resistant to extreme drought, which reduced aboveground net primary productivity (ANPP) below the lowest level measured in this grassland in almost thirty years (Hoover et al. in press(a)). This extreme reduction in ecosystem function was a consequence of reduced productivity of both C4 grasses and C3 forbs. This reduction in biomass of the C4 grasses (Andropogon gerardii and Sorghastrum nutans) was, in part, due to significant reductions in photosynthesis, leaf water potential and productivity with drought in the dominant grasses species, with S. nutans was more sensitive than A. gerardii to drought (Hoover et al. in press(b)). However, the dominant forb was negatively impacted by the drought more than the dominant grasses, and this led to a reordering of species abundances within the plant community. Although this change in community composition persisted post-drought, ANPP recovered completely the year after drought due to rapid demographic responses by the dominant grass, compensating for loss of the dominant forb. Overall, our results show that an extreme reduction in ecosystem function attributable to a climate extreme (e.g., low resistance) does not preclude rapid ecosystem recovery. Given that dominance by a few species is characteristic of most ecosystems, knowledge of the traits of these species and their responses to climate extremes will be key for predicting future ecosystem dynamics and function. In addition, our research suggests that water stress will dominate photosynthetic and productivity responses caused by discrete drought and heat wave events, rather than direct or additive effects of heat stress, with differential sensitivity in these grasses altering future ecosystem function.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Effects of Stressors from Marine and Hydrokinetic Energy

Potential environmental effects of marine and hydrokinetic (MHK) energy development are not well understood, yet regulatory agencies are required to make decisions in spite of substantial uncertainty about environmental impacts and their long-term consequences. An understanding of risks associated with interactions between MHK installations and aquatic receptors, including animals, habitats, and ecosystems, can help define key uncertainties and focus regulatory actions and scientific studies on interactions of most concern. During FY 2012, Pacific Northwest National Laboratory (PNNL) continued to follow project developments on the two marine and hydrokinetic projects reviewed for Environmental Risk Evaluation System (ERES) screening analysis in FY 2011: a tidal project in the Gulf of Maine using Ocean Renewable Power Company TidGenTM turbines and a wave project planned for the coast of Oregon using Aquamarine Oyster surge devices. The ERES project in FY 2012 also examined two stressor–receptor interactions previously identified through the screening process as being of high importance: 1) the toxicity effects of antifouling coatings on MHK devices on aquatic resources and 2) the risk of a physical strike encounter between an adult killer whale and an OpenHydro turbine blade. The screening-level assessment of antifouling paints and coatings was conducted for two case studies: the Snohomish County Public Utility District No. 1 (SnoPUD) tidal turbine energy project in Admiralty Inlet, Puget Sound, Washington, and the Ocean Power Technologies (OPT) wave buoy project in Reedsport, Oregon. Results suggest minimal risk to aquatic biota from antifouling coatings used on MHK devices deployed in large estuaries or open ocean environments. For the strike assessment of a Southern Resident Killer Whale (SRKW) encountering an OpenHydro tidal turbine blade, PNNL teamed with colleagues from Sandia National Laboratories (SNL) to carry out an analysis of the mechanics and biological consequences of different blade strike scenarios. Results of these analyses found the following: 1) a SRKW is not likely to experience significant tissue injury from impact by an OpenHydro turbine blade; and 2) if whale skin behaves similarly to the materials considered as surrogates for the upper dermal layers of whale skin, it would not be torn by an OpenHydro blade strike. The PNNL/SNL analyses could not provide insight into the potential for more subtle changes to SRKWs from an encounter with a turbine, such as changes in behavior, or inform turbine interactions for other whales or other turbines. These analyses were limited by the available time frame in which results were needed and focused on the mechanical response of whale tissues and bone to blade strike. PNNL proposes that analyses of additional turbine designs and interactions with other marine mammals that differ in size, body conformation, and mass be performed.

13 HYDRO ENERGY↗

LIHE Spectral Dynamics and Jaguar Data Acquisition System Measurement Assurance Results 2014

The Light Initiated High Explosive (LIHE) facility performs high rigor, high consequence impulse testing for the nuclear weapons (NW) community. To support the facility mission, LIHE's extensive data acquisition system (DAS) is comprised of several discrete components as well as a fully integrated system. Due to the high consequence and high rigor of the testing performed at LIHE, a measurement assurance plan (MAP) was developed in collaboration with NW system customers to meet their data quality needs and to provide assurance of the robustness of the LIHE DAS. While individual components of the DAS have been calibrated by the SNL Primary Standards Laboratory (PSL), the integrated nature of this complex system requires verification of the complete system, from end-to-end. This measurement assurance plan (MAP) report documents the results of verification and validation procedures used to ensure that the data quality meets customer requirements.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Analysis of Cavern and Well Stability at the West Hackberry SPR Site Using a Full-Dome Model

This report presents computational analyses that simulate the structural response of caverns at the Strategic Petroleum Reserve (SPR) West Hackberry site. The cavern field comprises 22 caverns. Five caverns (6, 7, 8, 9, 11) were acquired from industry and have unusual shapes and a history dating back to 1946. The other 17 caverns (101-117) were leached according to SPR standards in the mid-1980s and have tall cylindrical shapes. The history of the caverns and their shapes are simulated in a three-dimensional geomechanics model of the site that predicts deformations, strains, and stresses. Future leaching scenarios corresponding to oil drawdowns using fresh water are also simulated by increasing the volume of the caverns. Cavern pressures are varied in the model to capture operational practices in the field. The results of the finite element model are interpreted to provide information on the current and future status of subsidence, well integrity, and cavern stability. The most significant results in this report are relevant to Cavern 6. The cavern is shaped like a bowl with a large ceiling span and is in close proximity to Cavern 9. The analyses predict tensile stresses at the edge of the ceiling during repressurization of Cavern 6 following workover conditions. During a workover the cavern is at low pressure to service a well. The wellhead pressures are atmospheric. When the workover is complete, the cavern is repressurized. The resulting elastic stresses are sufficient to cause tension around the edge of the large ceiling span. With time, these stresses relax to a compressive state because of salt creep. However, the potential for salt fracture and propagation exists, particularly towards Cavern 9. With only 200 feet of salt between the caverns, the operational consequences must be examined if the two caverns become connected. A critical time may be during a workover of Cavern 9 in part because of the operational vulnerabilities, but also because dilatant damage is predicted under the ledge that forms the lower lobe in the cavern. The remaining caverns have no significant issues regarding cavern stability and may be safely enlarged during subsequent oil drawdowns. Predicted well strains and subsidence are significant and consequently future remedial actions may be necessary. These predicted well strains certainly suggest appropriate monitoring through a well-logging program. Subsidence is currently being monitored.

02 PETROLEUM↗

Framework for Modeling High-Impact, Low-Frequency Power Grid Events to Support Risk-Informed Decisions

Natural and man-made hazardous events resulting in loss of grid infrastructure assets challenge the electric power grid’s security and resilience. However, the planning and allocation of appropriate contingency resources for such events requires an understanding of their likelihood and the extent of their potential impact. Where these events are of low likelihood, a risk-informed perspective on planning can be problematic as there exists an insufficient statistical basis to directly estimate the probabilities and consequences of their occurrence. Since risk-informed decisions rely on such knowledge, a basis for modeling the risk associated with high-impact low frequency events (HILFs) is essential. Insights from such a model can inform where resources are most rationally and effectively expended. The present effort is focused on development of a HILF risk assessment framework. Such a framework is intended to provide the conceptual and overarching technical basis for the development of HILF risk models that can inform decision makers across numerous stakeholder sectors. The North American Electric Reliability Corporation (NERC) 2014 Standard TPL-001-4 considers severe events for transmission reliability planning, but does not address events of such severity that they have the potential to fail a substantial fraction of grid assets over a region, such as geomagnetic disturbances (GMD), extreme seismic events, and coordinated cyber-physical attacks. These are beyond current planning guidelines. As noted, the risks associated with such events cannot be statistically estimated based on historic experience; however, there does exist a stable of risk modeling techniques for rare events that have proven of value across a wide range of engineering application domains. There is an active and growing interest in evaluating the value of risk management techniques in the State transmission planning and emergency response communities, some of this interest in the context of grid modernization activities. The availability of a grid HILF risk model, integrated across multi-hazard domains which, when interrogated, can support transparent, defensible and effective decisions, is an attractive prospect among these communities. In this report, we document an integrated HILF risk framework intended to inform the development of risk models. These models would be based on the systematic and comprehensive (to within scope) characterization of hazards to the level of detail required for modeling risk, identification of the stressors associated with the hazards (i.e., the means of impacting grid and supporting infrastructure), characterization of the vulnerability of assets to these stressors and the probabilities of asset compromise, the grid’s dynamic response to the asset failures, and assessment of subsequent severities of consequence with respect to selected impact metrics, such as power outage duration and geographic reach. Specifically, the current framework is being developed to;1. Provide the conceptual and overarching technical paradigms for the development of risk models; 2. Identify the classes of models required to implement the framework - providing examples of existing models, and also identifying where modeling gaps exist; 3. Identify the types of data required, addressing circumstances under which data are sparse and the formal elicitation of informed judgment might be required; and 4. Identify means by which the resultant risk models might be interrogated to form the necessary basis for risk management.

97 MATHEMATICS AND COMPUTING↗

Integrated Human Futures Modeling in Egypt

The Integrated Human Futures Project provides a set of analytical and quantitative modeling and simulation tools that help explore the links among human social, economic, and ecological conditions, human resilience, conflict, and peace, and allows users to simulate tradeoffs and consequences associated with different future development and mitigation scenarios. In the current study, we integrate five distinct modeling platforms to simulate the potential risk of social unrest in Egypt resulting from the Grand Ethiopian Renaissance Dam (GERD) on the Blue Nile in Ethiopia. The five platforms simulate hydrology, agriculture, economy, human ecology, and human psychology/behavior, and show how impacts derived from development initiatives in one sector (e.g., hydrology) might ripple through to affect other sectors and how development and security concerns may be triggered across the region. This approach evaluates potential consequences, intended and unintended, associated with strategic policy actions that span the development-security nexus at the national, regional, and international levels. Model results are not intended to provide explicit predictions, but rather to provide system-level insight for policy makers into the dynamics among these interacting sectors, and to demonstrate an approach to evaluating short- and long-term policy trade-offs across different policy domains and stakeholders. The GERD project is critical to government-planned development efforts in Ethiopia but is expected to reduce downstream freshwater availability in the Nile Basin, fueling fears of negative social and economic impacts that could threaten stability and security in Egypt. We tested these hypotheses and came to the following preliminary conclusions. First, the GERD will have an important short-term impact on water availability, food production, and hydropower production in Egypt, depending on the short- term reservoir fill rate. Second, the GERD will have a very small impact on water availability in the Nile Basin over the longer term. Depending on the GERD fill rate, short-term (e.g., within its first 5 years of operation) annual losses in Egyptian food production may peak briefly at 25 percent. Long-term (e.g., 15 to 30 year) cumulative losses in Egypt's food production may be less than 3 percent regardless of the fill rate, with the GERD having essentially no impact on projected annual food production in Egypt about 25 years after opening. For the quick fill rates, the short-term losses may be sufficient to create an important decrease in overall household health among the general population, which, along with other economic stressors and different strategies employed by the government, could lead to social unrest. Third, and perhaps most importantly, our modeling suggests that the GERD's effect on Egypt's food and water resources is small when compared to the effect of projected Egyptian population and economic growth (and the concomitant increase in water consumption). The latter dominating factors are exacerbated in the modeling by natural climate variability and may be further exacerbated by climate change. Our modeling suggests that these growth dynamics combine to create long-term water scarcity in Egypt, regardless of the Ethiopian project. All else being equal, filling strategies that employ slow fill rates for the GERD (e.g., 8 to 13 years) may mitigate the risks in future scenarios for Egypt somewhat, but no policy or action regarding the GERD is likely to significantly alleviate the projected water scarcity in Egypt's Nile Basin. However, general beliefs among the Egyptian populace regarding the GERD as a major contributing factor for scarcities in Egypt could make Ethiopia a scapegoat for Egyptian grievances -- contributing to social unrest in Egypt and generating undesirable (and unnecessary) tension between these two countries. Such tension could threaten the constructive relationships between Egypt and Ethiopia that are vital to maintaining stability and security within and between their respective regional spheres of influence, Middle East and North Africa, and the Horn of Africa.

97 MATHEMATICS AND COMPUTING↗