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DOE OSTI2019

Dynamic Contingency Analysis Tool 2.0 User Manual with Test System Examples

This document introduces Version 2 of the Dynamic Contingency Analysis Tool (DCAT) software package developed by Pacific Northwest National Laboratory and serves as a guide for using this package to conduct cascading failure simulations for the electric power system. The DCAT is an open-platform and publicly available software; it is intended to help develop applications that aim to improve the capabilities of power system planning engineers to assess the impact and likelihood of extreme contingencies and potential cascading events across their systems and interconnections. Outputs from the DCAT will support finding mitigating actions to reduce the risk of cascading outages in technically sound and effective ways. This manual provides detailed instructions on how to use this tool on multicore Windows workstations or servers. In the public version of DCAT, several improvements have been made over the previous version: (1) it was modularized; (2) a graphical user interface (GUI) was developed; (3) a new version of the MPjobs parallel processing module was incorporated; and (4) a batch-processing function was added. The features of the DCAT GUI are described, including some examples of how to use the GUI to perform simulations. A full explanation of the DCAT methodology is available in the Phase 1 report.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Regional Energy Deployment System (ReEDS) Model Documentation: Version 2019

The Regional Energy Deployment System (ReEDS) model is a capacity expansion and dispatch model that is primarily used for the contiguous U.S. electric power sector. The model relies on system-wide least cost optimization to estimate the type and location of future generation and transmission capacity. This document describes details of how the model is formulated, how it functions, and many of the key inputs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

CCE Phase 1: Consequence Prioritization

Idaho National Laboratory (INL) developed the Consequence-driven Cyber-informed Engineering (CCE) methodology to provide public and private organizations with steps to work collaboratively and establish a working relationship to protect critical infrastructure and other national assets. This process is a considerable undertaking, iterative in nature, and—as time and resources allow—should become a part of a company’s culture. By focusing on the impact of potentially negative Events, CCE provides a better understanding of how and why adversaries can affect critical functions and services using cyber-enabled sabotage. This document describes Phase 1 of the CCE process.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Watchmen 2.5.3 User Guide (Revision 5)

This document is a user guide for the Watchmen tool. It describes how operators can access and utilize the application's functionality.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Regional Energy Deployment System (ReEDS) Model Documentation (Version 2020)

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

The waterSHED Model: User Guide

The ideal design and operation of small hydropower plants is a complex optimization problem with economic, social, and environmental objectives. The waterSHED (Water Allocation Tool Enabling Rapid Small Hydropower Environmental Design) model is a user-friendly tool that allows hydropower stakeholders to model the trade-offs among these objectives using the Standard Modular Hydropower (SMH) framework. The SMH framework employs modular technologies that can be represented as blackbox objects and combined within a river to create a hydropower facility. For a given site, the waterSHED model aims to determine which modules should be placed in a facility and how those modules should be operated. This user guide describes how to use the graphical user interface and related functionalities. This document also summarizes the background research and mathematical formulations that are explained indepth in the accompanying doctoral dissertation. This model is an early step toward a new hydropower design process that employs standardization and modularity to reduce costs, development timelines, and challenges regarding social and environmental mitigation measures for low-head, small hydropower development. The waterSHED model is a Python application that will require the ability to download a GitHub repository, import the necessary packages, and run a set of Python script files using an integrated development environment. The script produces a graphical user interface to coordinate inputs, simulate operation, and visualize results, so no coding experience is needed once the script is running. Additionally, the waterSHED Workbook is a Microsoft Excel file that works with the Python script to facilitate data entry

13 HYDRO ENERGY↗

DOE OSTI2023

Semiconductor Nanostructures by Scientific Design (Final Technical Report)

We developed and used quantum simulation techniques to predict structural, electronic, optical and thermal properties affecting the scientific design of semiconductor nanostructures. We focused on the study of surfaces and interfaces at the nanoscale, in particular embedding and solvation of semiconductor nanoparticles, and provided a microscopic description of nanostructured materials in realistic environments, directly comparable with experimental conditions. We addressed three major problems: (i) the design of realistic structural models of integrated nanostructures, e.g. quantum dots embedded in solid matrices and nanostructures immersed in fluids; (ii) the development of efficient and accurate calculations to describe the excited state properties of nanostructures, beyond standard Density Functional Theory, so as to understand and predict electronic properties involved in renewable energy applications, for example solar conversion devices. In particular we developed and used methods based on a many body perturbation theory. (iii) the development of calculations of heat transport properties of nanostructured materials, for thermoelectric applications, including predictive calculations of thermal and electrical conductivity and of Seebeck coefficients. Specifically, we developed and used methods based on the Boltzmann transport equation and molecular dynamics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Undulator Radiation of Single Electrons: Coherence Length and Quantum-Optical Properties

The aims of the CLARA experiment at the Fermilab Integrable Optics Test Accelerator (IOTA) were to directly measure the coherence length of undulator radiation emitted by a single electron and to test whether the radiation is in a pure classical Glauber coherent state or in a quantum mixture of coherent and Fock states. We used a Mach-Zehnder interferometer (MZI) to study visible radiation generated by 150-MeV electrons circulating in the ring. The relative delay between the two arms of the MZI was adjusted by varying the length of one of them with a resolution of 10 nm. The intensity of the circulating beam spanned several orders of magnitude, down to single electrons. A pair of single-photon avalanche diodes (SPADs) was placed at the output of the MZI arms to detect photocounts with high efficiency and timing resolution. We describe the observed interference patterns and photocount rates as a function of interferometer delay and discuss their implications.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Beowulf v2.5.3 User Guide: Revision 5

This document is a user guide for the Beowulf (rebranding of Watchmen) tool. It describes how operators can access and utilize the application's functionality. Beowulf is a research software application developed by Pacific Northwest National Laboratory (PNNL) that incorporates the scientific and operational expertise for reviewing data from treaty monitoring radionuclide stations. These stations are part of a worldwide network to monitor for nuclear explosions, and the data they produce are critical to make the determination of whether a sample is from a nuclear explosion or some other source (i.e., nuclear reactor or medical isotope production facility). Stations deliver their measurements and system status to the International Monitoring System (IMS), which forwards it via email to all subscribers. Beowulf is capable of processing data from several radioxenon station types and development is in progress on a solution for particulate stations. Screening of data in Beowulf may be done by a number of different users such as radionuclide analysts, evaluators, and data quality experts. This guide is provided to assist those users in navigating the application. The term Beowulf is used generically throughout this document to refer to any of the various components in the software application. The user interface that is viewed with a web browser is the primary focus of this user guide. Other components include a database to store measurements and state of health (SOH) data; and the data loader that monitors incoming emails, parses the data, populates the database, does the initial analysis, and routes data for review.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Regional Energy Deployment System (ReEDS) Model Documentation: 2025

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Nanoindentation of ZrN Coatings on Silicon and Copper Substrates

An effective mathematical model is proposed to describe experiments on the indentation of samples with layered or functionally graded coatings. The model is based on the elastic contact problem corresponding to the penetration of a punch in a coated elastic half-space. A Berkovich indenter is considered. The results of the simulation and the experiments are compared for the indentation of two zirconium nitride (ZrN) coatings on substrates of monocrystalline (100) silicon and annealed copper. The agreement of the results is good.

42 ENGINEERING↗

DOE OSTI2015

On a hierarchy of nonlinearly dispersive generalized Korteweg - de Vries evolution equations

We propose a hierarchy of nonlinearly dispersive generalized Korteweg–de Vries (KdV) evolution equations based on a modification of the Lagrangian density whose induced action functional the KdV equation extremizes. Two recent nonlinear evolution equations describing wave propagation in certain generalized continua with an inherent material length scale are members of the proposed hierarchy. Like KdV, the equations from the proposed hierarchy possess Hamiltonian structure. Unlike KdV, the solutions to these equations can be compact (i.e., they vanish outside of some open interval) and, in addition, peaked. Implicit solutions for these peaked, compact traveling waves (“peakompactons”) are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

A Study of the Radiation Tolerance of CVD Diamond to 70 MeV Protons, Fast Neutrons and 200 MeV Pions

We measured the radiation tolerance of commercially available diamonds grown by the Chemical Vapor Deposition process by measuring the charge created by a 120 GeV hadron beam in a 50 μm pitch strip detector fabricated on each diamond sample before and after irradiation. We irradiated one group of samples with 70 MeV protons, a second group of samples with fast reactor neutrons (defined as energy greater than 0.1 MeV), and a third group of samples with 200 MeV pions, in steps, to (8.8±0.9) × 1015 protons/cm2, (1.43±0.14) × 1016 neutrons/cm2, and (6.5±1.4) × 1014 pions/cm2, respectively. By observing the charge induced due to the separation of electron–hole pairs created by the passage of the hadron beam through each sample, on an event-by-event basis, as a function of irradiation fluence, we conclude all datasets can be described by a first-order damage equation and independently calculate the damage constant for 70 MeV protons, fast reactor neutrons, and 200 MeV pions. We find the damage constant for diamond irradiated with 70 MeV protons to be 1.62±0.07(stat)±0.16(syst)× 10−18 cm2/(p μm), the damage constant for diamond irradiated with fast reactor neutrons to be 2.65±0.13(stat)±0.18(syst)× 10−18 cm2/(n μm), and the damage constant for diamond irradiated with 200 MeV pions to be 2.0±0.2(stat)±0.5(syst)× 10−18 cm2/(π μm). The damage constants from this measurement were analyzed together with our previously published 24 GeV proton irradiation and 800 MeV proton irradiation damage constant data to derive the first comprehensive set of relative damage constants for Chemical Vapor Deposition diamond. We find 70 MeV protons are 2.60 ± 0.29 times more damaging than 24 GeV protons, fast reactor neutrons are 4.3 ± 0.4 times more damaging than 24 GeV protons, and 200 MeV pions are 3.2 ± 0.8 more damaging than 24 GeV protons. We also observe the measured data can be described by a universal damage curve for all proton, neutron, and pion irradiations we performed of Chemical Vapor Deposition diamond. Finally, we confirm the spatial uniformity of the collected charge increases with fluence for polycrystalline Chemical Vapor Deposition diamond, and this effect can also be described by a universal curve.

36 MATERIALS SCIENCE↗

DOE OSTI2016

A new correlation with lower kilohertz quasi-periodic oscillation frequency in the ensemble of low-mass X-ray binaries

We study the dependence of kilohertz quasi-periodic oscillation (kHz QPO) frequency on accretion-related parameters in the ensemble of neutron-star low-mass X-ray binaries. Based on the mass accretion rate, M-dot , and the magnetic field strength, B, on the surface of the neutron star, we find a correlation between the lower kHz QPO frequency and M-dot /B{sup 2}. The correlation holds in the current ensemble of Z and atoll sources and therefore can explain the lack of correlation between the kHz QPO frequency and X-ray luminosity in the same ensemble. The average run of lower kHz QPO frequencies throughout the correlation can be described by a power-law fit to source data. The simple power law, however, cannot describe the frequency distribution in an individual source. The model function fit to frequency data, on the other hand, can account for the observed distribution of lower kHz QPO frequencies in the case of individual sources as well as the ensemble of sources. The model function depends on the basic length scales, such as the magnetospheric radius and the radial width of the boundary region, both of which are expected to vary with M-dot to determine the QPO frequencies. In addition to modifying the length scales, and hence the QPO frequencies, the variation in M-dot , being sufficiently large, may also lead to distinct accretion regimes, which would be characterized by Z and atoll phases.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Nanocrystal-polymer nanocomposite electrochromic device

Described is an electrochromic nanocomposite film comprising a solid matrix of an oxide based material, the solid matrix comprising a plurality of transparent conducting oxide (TCO) nanostructures dispersed in the solid matrix and a lithium salt dispersed in the solid matrix. Also described is a near infrared nanostructured electrochromic device having a functional layer comprising the electrochromic nanocomposite film.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Liquid carbon dioxide absorbents, methods of using the same, and related systems

A carbon dioxide absorbent composition is described, including (i) a liquid, nonaqueous silicon-based material, functionalized with one or more groups that either reversibly react with CO.sub.2 or have a high-affinity for CO.sub.2; and (ii) a hydroxy-containing solvent that is capable of dissolving both the silicon-based material and a reaction product of the silicon-based material and CO.sub.2. The absorbent may be utilized in methods to reduce carbon dioxide in an exhaust gas, and finds particular utility in power plants.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Development of utility generic functional requirements for electronic work packages and computer-based procedures

The Nuclear Electronic Work Packages - Enterprise Requirements (NEWPER) initiative is a step toward a vision of implementing an eWP framework that includes many types of eWPs. This will enable immediate paper-related cost savings in work management and provide a path to future labor efficiency gains through enhanced integration and process improvement in support of the Nuclear Promise (Nuclear Energy Institute 2016). The NEWPER initiative was organized by the Nuclear Information Technology Strategic Leadership (NITSL) group, which is an organization that brings together leaders from the nuclear utility industry and regulatory agencies to address issues involved with information technology used in nuclear-power utilities. NITSL strives to maintain awareness of industry information technology-related initiatives and events and communicates those events to its membership. NITSL and LWRS Program researchers have been coordinating activities, including joint organization of NEWPER-related meetings and report development. The main goal of the NEWPER initiative was to develop a set of utility generic functional requirements for eWP systems. This set of requirements will support each utility in their process of identifying plant-specific functional and non-functional requirements. The NEWPER initiative has 140 members where the largest group of members consists of 19 commercial U.S. nuclear utilities and eleven of the most prominent vendors of eWP solutions. Through the NEWPER initiative two sets of functional requirements were developed; functional requirements for electronic work packages and functional requirements for computer-based procedures. This paper will describe the development process as well as a summary of the requirements.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Liquid carbon dioxide absorbents, methods of using the same, and related system

A carbon dioxide absorbent composition is described, including (i) a liquid, nonaqueous silicon-based material, functionalized with one or more groups that either reversibly react with CO 2 or have a high-affinity for CO 2 , and (ii) a hydroxy-containing solvent that is capable of dissolving both the silicon-based material and a reaction product of the silicon-based material and CO 2 . The absorbent may be utilized in methods to reduce carbon dioxide in an exhaust gas, and finds particular utility in power plants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗