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DOE OSTI2022

Generalized optimization-based synthesis of membrane systems for multicomponent gas mixture separation

Synthesizing a membrane system to separate multicomponent gas mixture is challenging due to the combinatorial number of feasible configurations and the difficulties in describing the multicomponent permeators. Here we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems for multicomponent gas mixture separation. The approach employs a richly connected superstructure to represent numerous potential system configurations, and different physics-based surrogate permeator models, such as countercurrent flow or crossflow, to be used in each stage. Moreover, to describe realistic systems, pressure drop equations can be included. We also present solution methods to accelerate the solution process. Through a case study of natural gas sweetening, we demonstrate that the proposed approach is able to obtain good solutions using an off-the-shelf global optimization solver. Finally, we expand the conventional membrane system synthesis problem by introducing feed variability in our model through a case study of an integrated reactor-separation system.

42 ENGINEERING↗

DOE OSTI2023

A systematic literature review on residential demand response with a focus on opportunities for low-income communities

Demand Response improves efficiency and grid stability, reducing peak load and total system costs. It can potentially contribute to other societal aspects, including mitigating climate change and improving air quality, health, stress levels, and comfort. This paper reviewed the literature on residential demand response programs in the United States, through the lens of the five energy justice principles, identifying and categorizing a set of 165 papers from 1960 to 2024. As a result, we observe significant progress in distributive justice, however, mostly focused on increasing participation rather than attending specific needs of historically marginalized communities. Concordantly, recognition and procedural justice dimensions are lagging, while cosmopolitan justice studies are scarce, underscoring a need to improve the measurement of impacts resulting from the implementation of demand response programs. Future research opportunities include the consolidation of standardized definitions and metrics, to better understand burdens and needs of diverse residential users. In terms of policy, collection and transparent access to standardized data is required as a condition to the design of flexible, customizable, transparent, and easy to navigate demand response programs. As a result, a better understanding of and engagement with customers has the potential to increase adoption rates, persistence in the program, and overall impacts for the system, households, and society.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

Mathematical models for base calibration in industrial robots

Mathematical models for the control systems of industrial robots permit calibration of the base, which is a single coordinate space for the industrial robot and the components being manipulated. Calibration of the base precedes operation of the robot. Control systems for industrial robots permit the storage and use of several calibrated bases in programming robot motion.

42 ENGINEERING↗

DOE OSTI2016

Exe-Guard Project

The exe-Guard Project is an alliance between Dominion Virginia Power (DVP), Sandia National Laboratories (SNL), Dartmouth University, and Schweitzer Engineering Laboratories (SEL). SEL is primary recipient on this project. The exe-Guard project was selected for award under DE-FOA-0000359 with CFDA number 81.122 to address Topic Area of Interest 4: Hardened platforms and Systems. The exe-Guard project developed an antivirus solution for control system embedded devices to prevent the execution of unauthorized code and maintain settings and configuration integrity. This project created a white list antivirus solution for control systems capable of running on embedded Linux® operating systems. White list antivirus methods allow only credible programs to run through the use of digital signatures and hash functions. Once a system’s secure state is baselined, white list antivirus software denies deviations from that state because of the installation of malicious code as this changes hash results. Black list antivirus software has been effective in traditional IT environments but has negative implications for control systems. Black list antivirus uses pattern matching and behavioral analysis to identify system threats while relying on regular updates to the signature file and recurrent system scanning. Black list antivirus is vulnerable to zero day exploits which have not yet been incorporated into a signature file update. System scans hamper the performance of high availability applications, as revealed in NIST special publication 1058 which summarizes the impact of blacklist antivirus on control systems: Manual or “on-demand” scanning has a major effect on control processes in that they take CPU time needed by the control process (Sometimes close to 100% of CPU time). Minimizing the antivirus software throttle setting will reduce but not eliminate this effect. Signature updates can also take up to 100% of CPU time, but for a much shorter period than a typical manual scanning process. Control systems are vulnerable to performance losses if off-the-shelf blacklist antivirus solutions aren’t implemented with care. This investment in configuration in addition to constant decommissioning to perform manual signature file updates is unprecedented and impractical. Additionally, control systems are often disconnected or islanded from the network making the delivery of signature updates difficult. Exe-Guard project developed a white list antivirus solution that mitigated the above drawbacks and allows control systems to cost-effectively apply malware protection while maintaining high reliability. The application of security patches can also be minimized since white listing maintains constant defense against unauthorized code execution. Security patches can instead be applied in less frequent intervals where system decommissioning can be scheduled and planned for. Since control systems are less dynamic than IT environments, the feasibility of maintaining a secure baselined state is more practical. Because upgrades are performed in infrequent, calculated intervals, it allows a new security baseline to be established before the system is returned to service. Exe-Guard built on the efforts of SNL under the Code Seal project. SNL demonstrated prototype Trust Anchors on the project which are independent monitoring and control devices that can be integrated into untrustworthy components. The exe-Guard team started with the lessons learned under this project then designed commercial solution for white list malware protection. Malware is a real threat, even on islanded or un-networked installations, since operators can unintentionally install infected files, plug in infected mass storage devices, or infect a piece of equipment on the islanded local area network that can then spread to other connected equipment. Protection at the device level is one of the last layers of defense in a security-in-depth defense model before an asset becomes compromised. This project provided non-destructive intrusion, isolation and automated response solution, achieving a goal of the Department of Energy (DOE) Roadmap to Secure Control Systems. It also addressed CIP-007-R4 which requires asset owners to employ malicious software prevention tools on assets within the electronic security perimeter. In addition, the CIP-007-R3 requirement for security patch management is minimized because white listing narrows the impact of vulnerabilities and patch releases. The exe-Guard Project completed all tasks identified in the statement of project objective and identified additional tasks within scope that were performed and completed within the original budget. The cost share was met and all deliverables were successfully completed and submitted on time. Most importantly the technology developed and commercialized under this project has been adopted by the Energy sector and thousands of devices with exe-Guard technology integrated in them have now been deployed and are protecting our power systems today

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2018

Assessing the PACE of California residential solar deployment: Impacts of Property Assessed Clean Energy programs on residential solar photovoltaic deployment in California, 2010-2015

A new study by Berkeley Lab found that residential Property Assessed Clean Energy (R-PACE) programs increased deployment of residential solar photovoltaic (PV) systems in California, raising it by about 7-12% in cities that adopt these programs. R-PACE is a financing mechanism that uses a voluntary property tax assessment, paid off over time, to facilitate energy improvements and, in some jurisdictions, water and resilience measures. While previous studies demonstrated that early, regional R-PACE programs increased solar PV deployment, this new analysis is the first to demonstrate these impacts from the large, statewide R-PACE programs dominating the California market today, which use private capital to fund the upfront costs of the improvements. Berkeley Lab estimated the impacts using econometric techniques on two samples: -Large cities only, allowing annual demographic and economic data as control variables -All California cities, without these annual data Analysis of both samples controls for several factors other than R-PACE that would be expected to drive solar PV deployment. We infer that on average, cities with R-PACE programs were associated with greater solar PV deployment in our study period (2010-2015). In the large cities sample, solar PV deployment in jurisdictions with R-PACE programs was higher by 1.1 watts per owner-occupied household per month, or 12%. Across all cities, solar PV deployment in jurisdictions with R-PACE programs was higher by 0.6 watts per owner-occupied household per month, or 7%. The large cities results are statistically significant at conventional levels; the all-cities results are not. The estimates imply that the majority of solar PV deployment financed by R-PACE programs would likely not have occurred in their absence. Results suggest that R-PACE programs have increased PV deployment in California even in relatively recent years, as R-PACE programs have grown in market share and as alternate approaches for financing solar PV have developed. The U.S. Department of Energy’s Building Technologies Office supported this research.

14 SOLAR ENERGY↗

DOE OSTI2020

Lawrence Livermore National Laboratory Annual Environmental Report 2019

The purposes of the Lawrence Livermore National Laboratory (LLNL) Environmental Report 2019 are to record LLNL's compliance with environmental standards and requirements, describe LLNL’s environmental protection and remediation programs, and present the results of environmental monitoring at the two LLNL sites—the Livermore Site and Site 300. The report is prepared for the U.S. Department of Energy (DOE) by LLNL’s Environmental Functional Area. Submittal of the report satisfies requirements under DOE Order 231.1B, “Environment, Safety and Health Reporting,” and DOE Order 458.1, “Radiation Protection of the Public and Environment.” The report begins with an executive summary, which provides the purpose of the report and an overview of LLNL’s compliance and monitoring results. The first three chapters provide background information: Chapter 1 is an overview of the location, meteorology, and hydrogeology of the two LLNL sites; Chapter 2 is a summary of LLNL’s compliance with environmental regulations; and Chapter 3 is a description of LLNL’s environmental programs with an emphasis on the Environmental Management System including pollution prevention. The majority of the report covers LLNL’s environmental monitoring programs and monitoring data for 2019: effluent and ambient air monitoring and dose assessment (Chapter 4); waters, including wastewater, storm water runoff, surface water, rain, and groundwater (Chapter 5); and terrestrial, including soil, sediment, vegetation, foodstuff, ambient radiation, and special status wildlife and plants (Chapter 6). The remaining two chapters discuss LLNL’s groundwater remediation program (Chapter 7), and quality assurance for the environmental monitoring programs (Chapter 8). Complete monitoring data, which are summarized in the body of the report, are provided in Appendix A.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Lawrence Livermore National Laboratory Environmental Report 2021

The purposes of the Lawrence Livermore National Laboratory Environmental Report 2021 are to record Lawrence Livermore National Laboratory’s (LLNL’s) compliance with environmental standards and requirements, describe LLNL’s environmental protection and remediation programs, and present the results of environmental monitoring at the two LLNL sites—the Livermore Site and Site 300. The report is prepared for the U.S. Department of Energy (DOE) by LLNL’s Environmental Functional Area. Submittal of the report satisfies requirements under DOE Order 231.1B, “Environment, Safety and Health Reporting,” and DOE Order 458.1, “Radiation Protection of the Public and Environment.” The report is distributed electronically and is available at https://saer.llnl.gov/, the website for the LLNL annual environmental report. Previous LLNL annual environmental reports beginning with 1994 are also on the website. Some references in the electronic report text are underlined, which indicates that they are clickable links. Clicking on one of these links will open the related document, data workbook, or website. Sampling location maps throughout this report were created using ArcGIS® software by Esri. The report begins with an executive summary, which provides the purpose of the report and an overview of LLNL’s compliance and monitoring results. The first three chapters provide background information: Chapter 1 is an overview of the location, meteorology, and hydrogeology of the two LLNL sites; Chapter 2 is a summary of LLNL’s compliance with environmental regulations; and Chapter 3 is a description of LLNL’s environmental programs with an emphasis on the Environmental Management System including pollution prevention. The majority of the report covers LLNL’s environmental monitoring programs and monitoring data for 2021: effluent and ambient air monitoring and dose assessment (Chapter 4); waters, including wastewater, storm water runoff, surface water, rain, and groundwater (Chapter 5); and terrestrial, including soil, sediment, vegetation, foodstuff, ambient radiation, and special status wildlife and plants (Chapter 6). The remaining two chapters discuss LLNL’s groundwater remediation program (Chapter 7), and quality assurance for the environmental monitoring programs (Chapter 8). Complete monitoring data, which are summarized in the body of the report, are provided in Appendix A. The report uses Système International units, consistent with the federal Metric Conversion Act of 1975 and Executive Order 12770, “Metric Usage in Federal Government Programs” (1991). For ease of comparison to environmental reports issued prior to 1991, dose values and many radiological measurements are given in both metric and U.S. customary units. A conversion table is provided in the glossary. The report is the responsibility of LLNL’s Environmental Functional Area. Monitoring data were obtained through the combined efforts of the Environmental Functional Area; Environmental Restoration Department; Physical and Life Sciences Environmental Monitoring Radiological Laboratory; and the Radiation Protection Functional Area.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Emergent Collective Phenomena in Artificial Spin Ice (Final Technical Report)

This program encompassed studies of lithographically fabricated “artificial spin ice” arrays of nanometer-scale single-domain ferromagnetic islands in which the array geometry results in frustration of the magnetostatic interactions between the islands. Artificial spin ice offers a wide range of opportunities for studying the mechanism by which nature accommodates frustration and accesses physics associated with frustration in ferromagnetic nanostructures. Since the arrays are created lithographically, we can easily vary the array characteristics, including the geometry of the lattice and the level and type of lattice disorder. We can probe both the local properties of the arrays by imaging individual moments, and we can also probe thousands of moments simultaneously, allowing us to gain insight into the collective properties of the system. The research funded by this program included studies of unusual frustrated lattices, studies of magnetotransport in these systems, studies of perpendicular anisotropy moments, and a range of other related experimental measurements.

36 MATERIALS SCIENCE↗

DOE OSTI2018

ExaTN

A challenging scientific problem that will benefit from exascale computing is predictive simulation of two- and three-dimensional quantum many-body Hamiltonians in condensed matter physics, together with the related strong entanglement problems in quantum chemistry and quantum computing. Efficient numerical simulations will require new insights into wavefunction compression algorithms that scale on extremely heterogeneous HPC architectures. To address this need, we propose to develop a scalable math library of parallel multi-linear algebraic numerical primitives for hierarchical tensor compression. Our library will subsequently be used for building an efficient, performance-portable HPC framework for simulating strongly correlated quantum systems. In particular, our will will be the first to deliver a massively parallel implementation of the multiscale entanglement renormalization ansatz (MERA), a hierarchical tensor decomposition quantum scheme capable of expressing local expectation values of strongly entangled higher-dimensional quantum systems efficiently. To address the extreme complexity and high computational cost of such schemes, we will automate their parallel implementation by delivering an integrated software framework, ExaTN (Exascale Tensor Networks), that will process hierarchical tensor representations on exascale HPC systems via an asymchronous task-based programming model. As a specific application, our framework will provide scientists with a capability of simulating strongly entangled quantum systems, thus positioning ORNL as a strategic leader in modeling of strongly correlated materials.

McCaskey, AlexanderJ↗

DOE OSTI2015

Extremely accurate sequential verification of RELAP5-3D

Large computer programs like RELAP5-3D solve complex systems of governing, closure and special process equations to model the underlying physics of nuclear power plants. Further, these programs incorporate many other features for physics, input, output, data management, user-interaction, and post-processing. For software quality assurance, the code must be verified and validated before being released to users. For RELAP5-3D, verification and validation are restricted to nuclear power plant applications. Verification means ensuring that the program is built right by checking that it meets its design specifications, comparing coding to algorithms and equations and comparing calculations against analytical solutions and method of manufactured solutions. Sequential verification performs these comparisons initially, but thereafter only compares code calculations between consecutive code versions to demonstrate that no unintended changes have been introduced. Recently, an automated, highly accurate sequential verification method has been developed for RELAP5-3D. The method also provides to test that no unintended consequences result from code development in the following code capabilities: repeating a timestep advancement, continuing a run from a restart file, multiple cases in a single code execution, and modes of coupled/uncoupled operation. In conclusion, mathematical analyses of the adequacy of the checks used in the comparisons are provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Overview of System Integration Analysis Activities for Integrated Waste Management

Spent nuclear fuel (SNF) generated by the current fleet of commercial nuclear reactors is being stored at reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The U.S. Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Waste Management (IWM) program is examining a suite of IWM system options and conducting supporting analyses to enable future informed choices. The IWM program is currently organized into the following four major areas: (1) IWM facilities and equipment concepts and development, (2) transportation capability analysis and support, (3) information technology solutions and support, and (4) system integration analysis and support. This paper focuses on the activities ongoing in the IWM system integration analysis and support area. Two main research activities in this area are: data and tools development, validation, and maintenance; and special studies, analyses, and assessments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Dynamic Capacitive Wireless Power Transfer System for Electric Vehicles (CRADA Final Report)

Road transportation accounts for 23% of our nation's total energy consumption, 59% of our petroleum consumption and 22% of our total emissions. Electric vehicles (EVs) have much higher well-to-wheel efficiency compared to gasoline vehicles and can reduce our dependence on oil, minimize emissions, improve local air quality and provide a platform for technological innovation and economic growth. While major progress has been made in the development of electric vehicles, their penetration remains under 1 The main hurdles in their widespread adoption are high cost, limited range and long charging times, due to limitations in battery technology. An approach to overcome these hurdles is to substantially reduce the on-board energy storage and instead deliver power wirelessly to the vehicle while it is in motion dynamic wireless power transfer (WPT). For EV charging applications, researchers have traditionally focused on inductive WPT. An issue with inductive WPT systems is that for magnetic flux guidance and shielding, they require ferrite cores, making them expensive, bulky and difficult to embed in the roadway. Under an ARPA-E IDEAS grant, the CU Boulder team has recently developed an alternative approach to WPT based on capacitive coupling that is much smaller, lighter, less expensive, and easier to embed in the roadway than inductive WPT; and have demonstrated a 1.2-kW 6.78-MHz version of this capacitive WPT system on a stationary platform. Under this seed grant program, preliminary work will be carried out on a dynamic capacitive WPT system to prepare a strong proposal for the ARPA-E OPEN 2018 FOA.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2017

High Performance Computing Based Parallel HIearchical Modal Association Clustering (HPAR HMAC)

For many applications, clustering is a crucial step in order to gain insight into the makeup of a dataset. The best approach to a given problem often depends on a variety of factors, such as the size of the dataset, time restrictions, and soft clustering requirements. The HMAC algorithm seeks to combine the strengths of 2 particular clustering approaches: model-based and linkage-based clustering. One particular weakness of HMAC is its computational complexity. HMAC is not practical for mega-scale data clustering. For high-definition imagery, a user would have to wait months or years for a result; for a 16-megapixel image, the estimated runtime skyrockets to over a decade! To improve the execution time of HMAC, it is reasonable to consider an multi-core implementation that utilizes available system resources. An existing imple-mentation (Ray and Cheng 2014) divides the dataset into N partitions - one for each thread prior to executing the HMAC algorithm. This implementation benefits from 2 types of optimization: parallelization and divide-and-conquer. By running each partition in parallel, the program is able to accelerate computation by utilizing more system resources. Although the parallel implementation provides considerable improvement over the serial HMAC, it still suffers from poor computational complexity, O(N2). Once the maximum number of cores on a system is exhausted, the program exhibits slower behavior. We now consider a modification to HMAC that involves a recursive partitioning scheme. Our modification aims to exploit divide-and-conquer benefits seen by the parallel HMAC implementation. At each level in the recursion tree, partitions are divided into 2 sub-partitions until a threshold size is reached. When the partition can no longer be divided without falling below threshold size, the base HMAC algorithm is applied. This results in a significant speedup over the parallel HMAC.

Patlolla, Dilip R↗

DOE OSTI2021

RAVEN Theory Manual

RAVEN is a software framework able to perform parametric and stochastic analysis based on the response of complex system codes. The initial development was aimed at providing dynamic risk analysis capabilities to the thermohydraulic code RELAP-7, currently under development at Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose stochastic and uncertainty quantification platform, capable of communicating with any system code. In fact, the provided Application Programming Interfaces (APIs) allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by input files or via python interfaces. RAVEN is capable of investigating system response and explore input space using various sampling schemes such as Monte Carlo, grid, or Latin hypercube. However, RAVEN strength lies in its system feature discovery capabilities such as: constructing limit surfaces, separating regions of the input space leading to system failure, and using dynamic supervised learning techniques. The development of RAVEN started in 2012 when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework arose. RAVEN’s principal assignment is to provide the necessary software and algorithms in order to employ the concepts developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just to identify the frequency of an event potentially leading to a system failure, but the proximity (or lack thereof) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. peak pressure in a pipe) is exceeded under certain conditions. Most of the capabilities, implemented having RELAP-7 as a principal focus, are easily deployable to other system codes. For this reason, several side activates have been employed (e.g. RELAP5-3D, any MOOSE-based App, etc.) or are currently ongoing for coupling RAVEN with several different software. The aim of this document is to provide a set of commented examples that can help the user to become familiar with the RAVEN code usage.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

RAVEN Theory Manual

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Production and testing of the powerboard for ATLAS ITk Strip barrel modules

The upgrade of the ATLAS ITk strips detector for HL-LHC will employ a custom PCB (powerboard) for on-module DC-DC conversion, HV switching, and monitoring. Production of about 14100 of such PCBs with high reliability is a big challenge. In this paper we will present the production procedure and quality control (QC) testing system for the powerboards to be installed on ITk Strip barrel modules. During production, about 150 powerboards will be produced every week. Each powerboard will need to pass QC tests before they are assembled to module. The QC tests include thermal cycling between -35 °C and 40 °C, soak test (continuous running of DC-DC converter at high load at 20 °C), and basic functionality and characterization electrical tests of the low voltage (LV), high voltage (HV), and monitoring functions of the powerboard. A custom QC test system is described, which is based on a reusable PCB (active board) with all testing circuits, a one-time powerboard carrier card, and a Z-turn SoC board which hosts and runs the testing program. The production procedure and QC test system has been tested with 400 powerboards during pre-production, and the system has been proven ready for production with the desired testing program, speed, safety, and cost. Performance and typical failures of powerboards observed during the QC test of pre-production powerboards is also presented.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Phase transformations in Cd–Ni nanostructured system at elevated temperatures

Using X-ray diffraction (both in vacuum and in air), derivatomass-spectrometry and thermo-programmed oxidation, phase transformations in nanostructured Cd–Ni system occurring while heating up 720 °C were described. These metal powders were obtained by joint reduction from aqueous solutions of salts with hydrazine. When study their composition, earlier unknown phases were detected (intermetallide CdNi{sub 3} and solid solution Cd{sub x}Ni{sub 1–x} with face centered cubic structure) and among the known intermetallides (Cd{sub 5}Ni and CdNi), only Cd{sub 5}Ni was found. As a consequence, phase transformations in the obtained nanostructured powders were remarkably different from those present on the Cd–Ni phase diagram. The intermediates and FCC phase decompose independently with formation of individual initial components (Cd and Ni) without intermediate product. At relatively high Cd concentration in the system, intermediate CdNi{sub 3} phase formation from Cd{sub 5}Ni and Cd{sub x}Ni{sub 1–x} phases, which are polar opposites in composition, is possible. The decomposition temperatures of Cd{sub 5}Ni and melting point of Cd in the nanostructured state were lower than those specified by the phase diagram by 170 and 70 °C, respectively, which well corresponded to the concept of effective (high) temperatures attributed to the nanostructured systems due to the energy saturation of the con stituent nanocrystallites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

System-wide power management control via clock distribution network

An apparatus, method and computer program product for automatically controlling power dissipation of a parallel computing system that includes a plurality of processors. A computing device issues a command to the parallel computing system. A clock pulse-width modulator encodes the command in a system clock signal to be distributed to the plurality of processors. The plurality of processors in the parallel computing system receive the system clock signal including the encoded command, and adjusts power dissipation according to the encoded command.

24 POWER TRANSMISSION AND DISTRIBUTION↗