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At least 1,747 records · Page 97

CurvilinearGrids.jl: A Julia package for curvilinear coordinate transformations

Finite-difference discretizations of partial differential equations are widespread throughout the scientific community. Oftentimes finite-differences are used to compute spatial gradients of fields on a discrete grid, which is typically a uniform or rectilinear Cartesian mesh. Arbitrary multidimensional geometry is difficult to discretize directly with finite differences, however, due to non-uniform grid spacing and non-orthogonality. Curvilinear coordinate transformations can be used as a strategy to enable arbitrary geometry. While these curvilinear transformations are straightforward, the governing PDEs require additional terms (metrics) and must adhere to strict conservation laws; these criteria complicate the application of the transformation and require careful implementation.

97 MATHEMATICS AND COMPUTING↗

Coordinated Fault Tolerance for High-Performance Computing

Our work to meet our goal of end-to-end fault tolerance has focused on two areas: (1) improving fault tolerance in various software currently available and widely used throughout the HEC domain and (2) using fault information exchange and coordination to achieve holistic, systemwide fault tolerance and understanding how to design and implement interfaces for integrating fault tolerance features for multiple layers of the software stack—from the application, math libraries, and programming language runtime to other common system software such as jobs schedulers, resource managers, and monitoring tools.

97 MATHEMATICS AND COMPUTING↗

Analysis of Potential Energy Corridors Proposed by the Western Electricity Coordinating Council

This report, Analysis of Potential Energy Corridors Proposed by the Western Electricity Coordinating Council (WECC), was prepared by the Environmental Science Division of Argonne National Laboratory (Argonne). The intent of WECC’s work was to identify planning-level energy corridors that the Department of Energy (DOE) and its affiliates could study in greater detail. Argonne was tasked by DOE to analyze the WECC Proposed Energy Corridors in five topic areas for use in reviewing and revising existing corridors, as well as designating additional energy corridors in the 11 western states. In compliance with Section 368 of the Energy Policy Act of 2005 (EPAct), the Secretaries of Energy, Agriculture, and the Interior (Secretaries) published a Programmatic Environmental Impact Statement in 2008 to address the proposed designation of energy transport corridors on federal lands in the 11 western states. Subsequently, Records of Decision designating the corridors were issued in 2009 by the Bureau of Land Management (BLM) and the U.S. Forest Service (USFS). The 2012 settlement of a lawsuit, brought by The Wilderness Society and others against the United States, which identified environmental concerns for many of the corridors requires, among other things, periodic reviews of the corridors to assess the need for revisions, deletions, or additions. A 2013 Presidential Memorandum requires the Secretaries to undertake a continuing effort to identify and designate energy corridors. The WECC Proposed Energy Corridors and their analyses in this report provide key information for reviewing and revising existing corridors, as well as designating additional energy corridors in the 11 western states. Load centers and generation hubs identified in the WECC analysis, particularly as they reflect renewable energy development, would be useful in reviewing and potentially updating the designated Section 368 corridor network. Argonne used Geographic Information System (GIS) technology to analyze the proposed energy corridors in the WECC report in five topic areas: • Federal land jurisdiction, • Existing Section 368 corridors, • Existing transmission lines, • Previously studied corridor locations, and • Protected areas. Analysis methods are explained and tables and maps are provided to describe the results of the analyses in all five topic areas. WECC used a rational approach to connecting the hubs it identified, although there may be opportunities for adapting some of the proposed WECC routes to previously designated Section 368 corridors, for example: • The WECC proposed energy corridors are in fact centerlines of proposed routes connecting hubs of various descriptions related to electric energy transmission. Although the centerlines were sited to avoid sensitive areas, infrastructure proposed within actual pathways or corridors defined by the centerlines would sometimes affect lands where such development would not normally be allowed, such as National Parks and Monuments, National Wildlife Refuges, and Wilderness Areas. • Many WECC proposed energy corridors are sited along centerlines of existing roads, including Interstate Highways, where in some cases additional width to accommodate energy transmission infrastructure may not be available. Examples include the WECC Proposed Corridor along Interstate 70 through Glenwood Canyon in Colorado, and along U.S. Highway 89 across Glen Canyon Dam in Arizona. • Several WECC proposed energy corridors are parallel to designated Section 368 corridors that have already cleared the preliminary steps to right-of-way approval. In many of these cases, the WECC hub connection objectives can be met more efficiently by routing on the designated Section 368 corridors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Coordinated Multi-layer Multi-domain Optical Network (COMMON) for Large-Scale Science Applications (COMMON)

We intend to implement a Coordinated Multi-layer Multi-domain Optical Network (COMMON) Framework for Large-scale Science Applications. In the COMMON project, specific problems to be addressed include 1) anycast/multicast/manycast request provisioning, 2) deployable OSCARS enhancements, 3) multi-layer, multi-domain quality of service (QoS), and 4) multi-layer, multidomain path survivability. In what follows, we outline the progress in the above categories (Year 1, 2, and 3 deliverables).

Vokkarane, Vinod↗

Guidelines for Implementation of an Advanced Outage Control Center to Improve Outage Coordination, Problem Resolution, and Outage Risk Management

This research effort is a part of the Light-Water Reactor Sustainability (LWRS) Program, which is a research and development (R&D) program sponsored by Department of Energy (DOE) and performed in close collaboration with industry R&D programs that provide the technical foundations for licensing and managing the long-term, safe, and economical operation of current nuclear power plants. The LWRS program serves to help the U.S. nuclear industry adopt new technologies and engineering solutions that facilitate the continued safe operation of the plants and extension of the current operating licenses. The purpose of this research is to improve management of nuclear power plant (NPP) outages through the development of an advanced outage control center (AOCC) that is specifically designed to maximize the usefulness of communication and collaboration technologies for outage coordination and problem resolution activities. This technical report for industry implementation outlines methods and considerations for the establishment of an AOCC. This report provides a process for implementation of a change management plan, evaluation of current outage processes, the selection of technology, and guidance for the implementation of the selected technology. Methods are presented for both adoption of technologies within an existing OCC and for a complete OCC replacement, including human factors considerations for OCC design and setup.

99 GENERAL AND MISCELLANEOUS↗

Verification and Validation of a Coordinate Transformation Method in Axisymmetric Transient Magnetics.

We present a verification and validation analysis of a coordinate-transformation-based numerical solution method for the two-dimensional axisymmetric magnetic diffusion equation, implemented in the finite-element simulation code ALEGRA. The transformation, suggested by Melissen and Simkin, yields an equation set perfectly suited for linear finite elements and for problems with large jumps in material conductivity near the axis. The verification analysis examines transient magnetic diffusion in a rod or wire in a very low conductivity background by first deriving an approximate analytic solution using perturbation theory. This approach for generating a reference solution is shown to be not fully satisfactory. A specialized approach for manufacturing an exact solution is then used to demonstrate second-order convergence under spatial refinement and tem- poral refinement. For this new implementation, a significant improvement relative to previously available formulations is observed. Benefits in accuracy for computed current density and Joule heating are also demonstrated. The validation analysis examines the circuit-driven explosion of a copper wire using resistive magnetohydrodynamics modeling, in comparison to experimental tests. The new implementation matches the accuracy of the existing formulation, with both formulations capturing the experimental burst time and action to within approximately 2%.

97 MATHEMATICS AND COMPUTING↗

Algorithms for Computing the Magnetic Field, Vector Potential, and Field Derivatives for Circular Current Loops in Cylindrical Coordinates

A numerical algorithm for computing the field components B r and B z and their r and z derivatives with open boundaries in cylindrical coordinates for circular current loops is described. An algorithm for computing the vector potential is also described. For the convenience of the reader, derivations of the final expressions from their defining integrals are given in detail, since their derivations (especially for the field derivatives) are not all easily found in textbooks. Numerical calculations are based on evaluation of complete elliptic integrals using the Bulirsch algorithm cel. Since cel can evaluate complete elliptic integrals of a fairly general type, in some cases the elliptic integrals can be evaluated without first reducing them to forms containing standard Legendre forms. The algorithms avoid the numerical difficulties that many of the textbook solutions have for points near the axis because of explicit factors of 1=r or 1=r 2 in the some of the expressions.

97 MATHEMATICS AND COMPUTING↗

Scalable Coordination and Control for Multiple Microgrids: Ten Month Progress Report

The incorporation of distributed energy resources into existing distribution systems provides make voltage and frequency regulation challenging for distribution system operators and in sufficient concentrations can destabilize the power grid. Re-configuring our distribution systems as a system of connected microgrids is one method for mitigating these instabilities. However, there is little economic reason for distribution system operators to undertake this complex upgrade of their systems. By looking beyond voltage, frequency, and power regulation for microgrids, new methods for controlling and operating microgrids can provide new functionality such as load flattening that will benefit distribution systems operators. This report details the initial research into new scalable coordination and control techniques that could be used to add this new functionality.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Coordinating Distributed Energy Resources for Grid Services: A Case Study of Pacific Gas and Electric

Pacific Gas & Electric (PG&E) hosts more distributed solar photovoltaic (PV) systems than any other utility in the United States. Further, PG&E expects hundreds of thousands of new PV systems and electric vehicles and more than 400 MW of behind-the-meter distributed energy storage by 2030. To prepare for the grid of the future, PG&E is exploring ways to coordinate distributed energy resources.

14 SOLAR ENERGY↗

IAEA Coordinated Research Project on HTGR Physics, Thermal Hydraulics, and Depletion Uncertainty Analysis: PHISICS/RELAP5-3D Results for the Phase III Coupled Core Exercises

This report details the Parallel and Highly Innovative Simulation for INL Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the neutronics stand-alone core exercises defined for Phase II of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase II models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the propagation of cross-section uncertainties from the lattice to the core calculation (core) phase of the prismatic 350 megawatt (MW) General Atomics (GA) Modular HTGR (MHTGR). The Phase II neutronics exercises consist of two sub-cases (II-2a and II-2b) specified for the fresh and mixed core loading of the MHTGR-350 prismatic high-temperature reactor design. Exercises II-2a and II-2b are performed without temperature feedback using isothermal temperature profiles. For the nominal lattice physics (i.e., best-estimate) model, a series of fresh and depleted single block and super cell SCALE/KENO and SCALE/NEWT models were developed at Idaho National Laboratory (INL) to assess the impact of spectral effects on the few-group cross sections. A combination of these lattice cells were used in a super cell calculation to construct 8-group cross-section libraries for use in the INL-developed PHISICS/RELAP5-3D code suite. The block-level homogenized libraries were assigned to the 220 fuel zones utilized in the MHTGR-350 PHISICS core model, according to the fresh and mixed fresh/depleted core loading pattern. In order to evaluate the effect of uncertainty propagation, several sets consisting of 1,000 perturbed NEWT lattice and PHISICS/RELAP5-3D core calculations were performed using the SCALE 6.2 ENDF/B-VII.1 cross-section co-variance data and the stochastic sampling module Sampler in SCALE 6.2.0. The Figures of Merit (FOM) investigated include the mean and standard deviation uncertainty values obtained for the eigenvalues, control rod worth values, block-averaged power profiles, power axial offsets, and isothermal temperature feedback coefficients. A sensitivity study on the main nuclide reaction contributors to the FOM uncertainties has not yet been performed since the SCALE/PHISICS/RAVEN coupling with ENDF/B-VII co-variance data is still being developed. It was found that uncertainties in the cross sections lead to uncertainties in the local power values of up to 1.5%. The variances between the fresh and mixed/depleted core models are not as large as the axial variations between the top and bottom within each core model. The core eigenvalue uncertainty is approximately 0.5%, which is significant in comparison to typical eigenvalue difference targets (less than ~0.1% for LWRs). The power peaking and axial offset uncertainties are smaller (0.10% – 0.15%) and probably below the level of significance in typical core design metrics. The use of an 8-group energy structure slightly under-estimates some of the uncertainties, but in absolute terms, the uncertainty results are reasonably close to the 26-group results. The 26- and 8-group mean and nominal results differ by a larger degree, and if it can be afforded in terms of calculation resources, the 26-group structure should be used for HTGR calculations. The 8-group structure can, however, still be useful for reasonably accurate uncertainty assessments of transient cases where computational time is important. It was furthermore found that the use of a super cell during the cross-section generation process for better representation of the spectral environment at the core periphery did not lead to significant changes in the core eigenvalues, axial offset, and power peaking uncertainties. The impact of the super cell cross sections on the nominal and mean eigenvalues is, however, important enough (0.6% – 1.1% lower) to justify the use of these super cells for HTGR core simulation to represent the softer spectral environment in the core peripheral regions for nominal best-estimate calculations. The use of super cells for HTGR uncertainty studies is, therefore, not strictly necessary, but the improvements in nominal results could justify their use.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Enabling coordinated, distributed development of scientific software: A research agenda for adapting a team of teams approach

The “team of teams” concept is a strategy for coordinating activities within and across organizations, developed by General Stanley McChrystal and his colleagues based on their experiences leading the Joint Special Operations Task Force in Iraq from 2003-2008. These experiences, and the lessons learned from them, are recounted in the books Team of Teams (McChrystal 2015) and One Mission (Fussell 2017) (the authors and contributors to these books will hereafter be jointly referred to as McChrystal et al.). Essentially, their story is one of rapidly adapting a rigid, siloed organization to defeat the flexible, resilient, and fast-moving network of Al Qaeda in Iraq. As described in the books, when McChrystal took over the Task Force, he found a collection of highly competent, efficient teams of analysts and warfighters which nonetheless had difficulty operating in a unified manner due to close internal ties, distrust of outsiders, bureaucratic stove pipes, and cultural differences stemming from the diverse organizations Task Force teams were affiliated with, including Army Special Forces, CIA, and NSA.

97 MATHEMATICS AND COMPUTING↗

Opportunistic Hybrid Communications Systems for Distributed PV Coordination

A full-scale, operational implementation of the opportunistic hybrid communications systems for distributed photovoltaic (PV) coordination was successfully developed, simulated, and validated in this 3-year project. The system is considered hybrid because it uses different communications pathways from the scale of residential PV inverters to a transmission network; primary technologies harnessed include Low-Power Wireless Personal Area Network (LoWPAN), Power Line Communication (PLC), WiFi mesh, Worldwide Interoperability for Microwave Access (WiMAX), Ethernet cable, and Optical Ethernet systems. It is opportunistic in that it chooses to route messages through each of these systems based on recent data about latency and availability to ensure reliable message passing.

14 SOLAR ENERGY↗

AGR-5/6/7 Operations Update for Technical Coordination Team (Apr 2020)

This is a powerpoint presentation designed to update the Technical Coordination Team (TCT) associated with the AGR irradiation experiment program on operations of the AGR-5/6/7 experiment over the past six months (since the last TCT meeting). The presentation primarily deals with operational challenges to failed fuel particles in capsule 1. Specifically, how to keep fission products from capsule 1 from entering the other four capsules in the experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Coordinated Multiscale Modeling and Synthesis of Novel Nanostructured Composite Membranes for Solar Fuels Generation (Final Report)

Generation of carbon-based liquid fuels from reduction of CO 2 using solar energy requires the development of improved membranes that provide good ionic conductivity and mechanical properties while minimizing the crossover of gases and reduction products. Using closely coordinated multiscale modeling, synthesis and characterization studies we propose to investigate and develop novel nanostructured composite membranes with applications to conversion of carbon dioxide to storable chemical fuels. The envisioned proton exchange membranes (PEMs) will be based on a support of self- assembling polymer-modified nanoparticles with controllable porosity and tortuosity. The use of a nanoparticle support will provide control of transport and mechanical properties of the membranes. Tuning the copolymer modification of nanoparticles (polymer architectures, brush grafting density) will allow to optimize the ion (proton) transport via the Grotthuss mechanism through narrow hydrated channels while minimizing crossover of gases and reaction products due to the high density of the grafted brush and use of a non-ionic conducting glassy polymers to fill spaces between polymer-grafted nanoparticles. In Phase I synthesis of the copolymers and their attachment to the nanoparticle support will be guided by multiscale simulations that include atomistic molecular dynamics and continuum-level transport simulations. The former will include reactive and non-reactive atomistic simulations that will provide key insight into nanoscale polymer morphology and ion/molecular transport mechanisms need to optimize the copolymer structure. The latter will provide insight into the role of nanoparticle self-assembly on the global transport of ionic and molecular species. The proton conduction and CO 2 /methanol permeability of the membranes will be experimentally characterized as well as simulated and will be correlated with morphology and polymer structure. Prototypes of optimal membranes will be fabricated and characterized at the end of the project. Successful development of improved nanostructured composite PEMs and demonstration of the simulation-guided materials-by-design paradigm will result in our ability to design and synthesize membranes for a wide variety of solar fuels generation and related electrochemical applications.

14 SOLAR ENERGY↗

Agent-Based Coordination Scheme for PV Integration (ABC4PV)

Renewables and especially photovoltaics (PV) have benefitted significantly from a host of incentives and policies targeted toward enhanced integration and adoption of specific energy technologies. However, with the push to move forward into a subsidy-free market framework, behind-the-meter residential PV applications have generally struggled to retain their value (unlike utility scale and commercial projects) [1]. This project focused on developing control-theoretic solutions aimed at improving the integration and interaction of behind-the-meter residential PV with other distribution system assets (controllable and non-controllable) to enhance the integrated value of residential PV. To this end, a suite of decentralized control methodologies have been developed to enable effective coordination and control of behind-the-meter residential load customers’ PV, battery storage systems (BSS), controllable loads and other similar assets within a distribution feeder. This interaction aims at procuring energy savings and, thus, energy bill savings. The main source of savings is drawn from reducing the effect of demand charge pricing and is realized at the feeder level, assuming community level interaction and management among the aforementioned assets. Optimal control of the assets is implemented with a distributed optimization methodology, leveraging consensus-based algorithms. The results gathered from the optimal control simulations demonstrates that the savings can be duly achieved and the algorithm decision times (to dynamically control asset set points, for example) are fast. As for the overall efficiency of PV+BSS systems, to procure energy savings from curtailment of the demand charge pricing effects, the optimal control is set up so as to minimize the variance of the load for all customers, throughout a feeder and throughout time in a rolling horizon scheduling with model predictive control. The control takes into account inter-temporal electrochemical storage (battery) degradation costs: specifically, we have developed a long-term lifetime model for the BSS that weighs in the effect of the degradation factor in the dispatch formulations, thus, a considerable operating cost that affects energy decision making. The levelized cost of energy (LCOE – redefined for the purpose of quantifying asset integration effectiveness through the customers’ energy cost) is shown to be below the threshold set for the combined PV+BSS topology of $ 0.14/kWh for multiple cases of PV penetration all the way up to 50%, provided that a policy of shared ownership of and savings is in place. Further, the LCOE calculated for the case before the deployment PV+BSS systems is also achievable, i.e. the deployment of PV+BSS, if planned and scheduled optimally. will have no effect on customers’ energy costs. From the control methodology viewpoint, the developed consensus-based algorithms are shown to converge for a wide range of problem cases (spanning normal operating scenarios and contingencies), guaranteeing dispatch solutions under forecasting errors, communication break-downs and cyber-security attacks. The proposed control solutions are scalable and real-time implementable, with dispatch computations and device set-point updates converging in less than 2s in most practical instances of the above events.

14 SOLAR ENERGY↗

Reducing uncertainty of polar to midlatitude linkages using DOE’s E3SM in a coordinated model-experiment setting

This project brought DOE’s climate modeling effort with the Energy Exascale Earth System Model into the Polar Amplification Model Intercomparison Project (PAMIP), which is part of the sixth and latest Coupled Model Intercomparison Project, CMIP6. PAMIP examines the causes and consequences of polar amplification, when external forcing results in a larger temperature increase in high latitudes than the global average, in a coordinated set of model experiments with a common modeling protocol. Our teams from UC Irvine and the University of Toronto have designed, carried out, analyzed, and disseminated PAMIP output from the Energy Exascale Earth System Model (E3SM) and the Community Earth System Model (CESM). PAMIP’s ongoing stream of significant new results have advanced progress in the community’s understanding and led to new outstanding research questions that have motivated further work. PAMIP has led to improved consensus on the atmospheric response to sea ice loss. The important finding is that for a similar sea ice anomaly forcing, the simulated atmospheric response in the troposphere is remarkably consistent among the 16 models’ runs analyzed. The zonal-mean tropospheric response consists of a very robust equatorward shift of the westerly flow in mid-latitudes. However, while the multi-model mean response is robust, it has a weak amplitude relative to internal variability. We identified a weakness in the models (including E3SM) in terms of their response to sea-ice forcing that is related to eddy forcing (or nonlinear dynamical effects) at mid- to high latitudes. In fact, E3SM is an outlier in terms of the models participating, and in that sense, it turned out to be a vital participant model. We found that reductions in energy transport due sea-ice loss and involving dry air only are compensated by increases in moist energy transport from warmer sea surface temperature in midlatitudes. This leads to a large spread in energy transport into the Arctic and is a potential source of spread in Arctic amplification. We identified an important role that climate modes, including tropical modes of variability (El Nino and the Southern Oscillation (ENSO); the Quasi-biennial Oscillation (QBO)) play in the response to sea-ice anomalies, including in ocean coupled experiments. Similarly, we identified and quantified the contribution of sea-ice thickness to the atmospheric response compared to the response to sea-ice extent only. We found that it is important to run large ensembles and even with an ensemble size of 100 simulations the response is largely influenced by internal variability. We demonstrated convincingly that Ural blocking, not sea-ice loss, provides the weakening of the stratospheric polar vortex in fall/early winter and a negative phase of the North Atlantic Oscillation that can last for up to two months. However, sea-ice anomalies can influence the background flow so that the response to Ural blocking is more persistent under low sea-ice conditions in the Barents/Kara Sea than high sea ice Atmospheric model hierarchies that progressively add individual processes have a long history in providing dynamical insight for modeling the atmosphere. Similarly, coupled model hierarchies that progressively add individual ocean processes can provide insights into the workings of the coupled climate system, however such hierarchies have not been available except for a non-dynamical slab ocean model. Because of the missing processes, surface flux corrections must be added to produce a target climate. In this project, we managed to overcome this problem and develop a globally coupled ocean model hierarchy in CESM that can turn on and off the processes of mixed-layer entrainment and Ekman flow. We used the hierarchy to study the impact of Arctic sea-ice loss on the climate system. We find that the effect of mixed-layer entrainment on ocean heat uptake influences the atmospheric circulation by shifting the latitudinal positions of the mid-latitude westerly jet and the Intertropical Convergence Zone (ITCZ). In quadrupled CO 2 experiments, we studied how air-sea coupling affects the response of tropical rainfall under global warming. In order to identify the importance of individual ocean processes, we used the hierarchy of ocean models to separate the effects of seasonal mixed-layer entrainment, wind-driven Ekman flows, and frictional flows. We showed that including Ekman and frictional flows allows our simulation to produce the Pacific Ocean's enhanced equatorial warming pattern and equatorward ITCZ contraction noted in previous climate simulations. We also showed that the frictional flow, which has yet to receive much attention, is as important as the Ekman flow in generating equatorial heat convergence.

54 ENVIRONMENTAL SCIENCES↗

NEAMS Reactor Physics Project Management and Coordination Activities

The following report summarizes the coordination activities and collaboration efforts by research staff at Oak Ridge National Laboratory, Idaho National Laboratory, and Argonne National Laboratory for the development of Shift and Griffin computer codes under the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗