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DOE OSTI2018

Uncertainty in master-equation-based rate coefficient calculations

Rate coefficients are key quantities in gas phase kinetics and can be determined theoretically via master equation (ME) calculations. Rate coefficients characterize how fast a certain chemical species reacts away due to collisions into a specific product. Some of these collisions are simply transferring energy between the colliding partners, in which case the initial chemical species can undergo a unimolecular reaction: dissociation or isomerization. Other collisions are reactive, and the colliding partners either exchange atoms, these are direct reactions, or form complexes that can themselves react further or get stabilized by deactivating collisions with a bath gas. The input of MEs are molecular parameters: geometries, energies, and frequencies determined from ab initio calculations. While the calculation of these rate coefficients using ab initio data is becoming routine in many cases, the determination of the uncertainties of the rate coefficients are often ignored, sometimes crudely assessed by varying independently just a few of the numerous parameters, and only occasionally studied in detail. In this study, molecular frequencies, barrier heights, well depths, and imaginary frequencies (needed to calculate quantum mechanical tunneling) were automatically perturbed in an uncorrelated fashion. Our Python tool, MEUQ, takes user requests to change all or specified well, barrier, or bimolecular product parameters for a reaction. We propagate the uncertainty in these input parameters and perform global sensitivity analysis in the rate coefficients for the ethyl + O 2 system using state-of-the-art uncertainty quantification (UQ) techniques via Python interface to UQ Toolkit (www.sandia.gov/uqtoolkit). A total of 10,000 sets of rate coefficients were collected after perturbing 240 molecular parameters. With our methodology, sensitive mechanistic steps can be revealed to a modeler in a straightforward manner for identification of significant and negligible influences in bimolecular reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

Final Report

This multi-year grant partially supported the Infrared Space Observatory (ISO) data analysis and related activities of three Guest Investigators (Prof. Dan Clemens, Prof. Thomas Bania, and Prof. James Jackson) at Boston University for ten distinct ISO investigations. Support under this grant covered "Years 1 & 2" of the ISO activities at Boston University. "Year 3" activities support is currently in force under a separate JPL contract, with Prof. James Jackson as the Block Grant PI; "Year 4" support has been requested from JPL and that proposal is currently pending.

Clemens, Dan↗

NASA NTRS2008

Assessment of the LC-2 Prelaunch Fatigue Spectra of the CM-to-SM Flange Weld

The pad stay and rollout components of the Ares I-X life cycle can generate cyclic stress oscillations to the vehicle that could initiate and grow fatigue cracks from weld defects. The Ares I-X Project requested that a study be performed to determine if stabilization of the vehicle is required to reduce the stresses that could initiate and grow fatigue cracks at the flange-to-skin weld of the Command Module (CM) and Service Module (SM) interface. A fatigue crack growth analysis was conducted that used loads (LC-2) and stress analyses developed by the Ares I-X Project and utilized material data and analysis methods developed by a critical initial flaw size (CIFS) analysis conducted by NASA Engineering and Safety Center (NESC) for the Upper Stage Simulator (USS) of the Ares I-X vehicle. A full CIFS analysis for the CM-to-SM flange-to-skin weld was not performed because the full flight spectrum was not provided and was not necessary to answer the question posed by the Ares I-X Project. Instead, an approach was developed to determine if the crack growth due to the pad stay and rollout components of the flight spectrum would adversely influence the CIFS. The approach taken used a number of conservative assumptions that eliminated the need for high-fidelity analyses and additional material testing, but still provided a bounding solution for the uncertainties of the problem. The results from this analysis indicate that the LC-2 pad stay and rollout spectrum components would not produce significant fatigue crack growth on the CM-to-SM flange-to-skin weld. Thus, from a fatigue crack growth standpoint, no stabilization is required to reduce the LC-2 pad stay and rollout cyclic stresses on the CM-to-SM flange-to-skin weld.

Dawicke, David S.↗

DOE OSTI2025

Real-Time Testbed for Studying Cyberattacks and Defense in DER-integrated Smart Inverter Systems

In this paper, we propose a Hardware-in-the-Loop (HIL) simulation testbed suitable for the implementation and testing of realistic cyberattacks on grid-tied smart inverter systems integrated with Distributed Energy Resources (DER) that use the Distributed Network Protocol-3 (DNP3) protocol for communications between grid components. Specifically, our testbed combines a Real-Time Digital Simulator (RTDS) NovaCor device, outfitted with GNETx2 network interface cards, a gridtied DER topology implemented via the RTDS software package RSCAD, and a custom virtual network that emulates a man in the middle attacker. The Man-in-the-Middle (MITM) attacker captures DNP3 traffic and falsifies telemetry data in DNP3 packets to trigger unwarranted commands from a DNP3 controller that exploit smart inverter grid support functions. We choose DNP3 and implement grid support functions according to the IEEE Std. 1547-2018 mandated for the interconnection and interoperability of DER power systems with associated power components. Furthermore, we develop a protocol payload agnostic attack detection framework that leverages the round-trip time (RTT) anomalies between DNP3 requests and responses and can detect the presence of attacks without having to analyze the payload’s contents, while balancing trade-offs between false alarm counts, missed detections, and time to detection. To facilitate further research, we publicly release benign and attack network traffic exchanged between various sensors, controllers, and actuators in our grid-tied inverter testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Automated reactor physics analysis framework of High Flux Isotope Reactor low-enriched uranium silicide dispersion fuel designs

The High Flux Isotope Reactor (HFIR) is a versatile research reactor that provides one of the highest steady-state neutron fluxes of any reactor in the world. The HFIR reactor physics team investigated the conversion of the current 93 wt% highly enriched uranium U 3 O 8 -Al dispersion fuel to a 19.75% low-enriched uranium (LEU) U 3 Si 2 -Al dispersion fuel. The team continuously develops a Python module to streamline the analysis steps required for an LEU core design to ensure reproducible and agile design iteration. The Python module automates the data processing between analysis steps and automates the input perturbation for branch calculations and design changes. The automated framework has proven to significantly increase the efficiency and reproducibility of the reactor physics team to design High Flux Isotope Reactor (HFIR) LEU cores and thoroughly analyze performance metrics, safety metrics, and thermal safety margins. Consequently, the team can now respond rapidly to fuel fabrication engineer and thermal-hydraulic-structural analyst requests. Numerous combinations of LEU fuel designs are explored, of which two LEU fuel designs are presented here in this paper: a low density silicide design, and a high-density silicide design. Results show that both designs meet or exceed safety and performance metrics with exception for minor differences caused by the hardened spectrum from LEU.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2014

Experimental Plan for EDF Energy Creep Rabbit Graphite Irradiations- Rev. 2 (replaces Rev. 0 ORNL/TM/2013/49)

The experimental results obtained here will assist in the development and validation of future models of irradiation induced creep of graphite by providing the following data: Inert creep stain data from low to lifetime AGR fluence Inert creep-property data (especially CTE) from low to lifetime AGR fluence Effect of oxidation on creep modulus (by indirect comparison with experiment 1 and direct comparison with experiment 3 NB. Experiment 1 and 3 are not covered here) Data to develop a mechanistic understanding, including: appropriate creep modulus (including pinning and high dose effects on structure), investigation of CTE-creep strain behavior under inert conditions oInformation on the effect of applied stress/creep strain on crystallite orientation (requires XRD), effect of creep strain on micro-porosity (requires tomography & microscopy) This document describes the experimental work planned to meet the requirements of project technical specification and EDF Energy requests for additional Pre-IE work. The PIE work is described in detail in this revision (Section 8 and 9).

Burchell, Timothy D.↗

DOE OSTI2021

Emergent Concepts from a Community Ideation on AI4ESP

This AI4ESP white paper is the outcome of an open ideation session led by PNNL that numerous institutions participated in. The leadership team included Amy Goldman, Huiying Ren, Tim Scheibe, and James Stegen. The white paper is broken into two sections: (1) A summary of the ideation session, and (2) a short summary of a ‘meta idea’ that emerged from combining multiple ideas spanning the three primary focal area themes articulated in BER’s AI4ESP guidance: A - Data Acquisition and Assimilation, B - Predictive Modeling, and C - Insight from Complex Data. The white paper, therefore, has two goals. The first section is meant to be a resource for innovating around how to pursue open, community-based ideation in virtual environments. The second section is meant as an example of the kinds of ‘meta ideas’ that can emerge from bringing diverse ideas together in a single shared space. We consider the second section to be a submission to BER’s request for white papers around AI4ESP.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Sitewide Environmental Impact Statement Site 300 and Arroyo Mocho Lawrence Livermore National Laboratory Alameda and San Joaquin Counties, California (Mid-Term Report)

At the request of Lawrence Livermore National Security (LLNS), Nomad Ecology (Nomad) conducted sensitive botanical resource surveys, and vegetation mapping and classification of the 7,000-acre Lawrence Livermore National Laboratory (LLNL) Experimental Test Site (Site 300) and 17 acres surrounding the Arroyo Mocho pumping station and the access road to the pumping station (Arroyo Mocho). In addition to surveying for sensitive botanical resources, Nomad also compiled existing rare plant and vegetation data provided by LLNL from past monitoring and environmental impact evaluations. The results of these efforts will provide supporting information for a Site-wide Environmental Impact Statement (SWEIS). These surveys were conducted during the months of April – June, and August 2020. Rare plant surveys were scheduled for February and March 2020; however, February surveys were not initiated because the contract for this work was not finalized, and March surveys were cut short due to the timing of the Covid-19 shelter in place. February and March rare plant surveys are scheduled for 2021; therefore, the rare plant survey results in this report should be considered incomplete until the 2021 surveys are conducted. A total of 10 special status plant species were recorded within Site 300 and Arroyo Mocho. Of these 10, three were not previously recorded within the study areas, and include Hospital Canyon larkspur (Delphinium californicum subsp. interius), Jepson’s woolly sunflower (Eriophyllum jepsonii), and Michael’s rein orchid (Piperia michaelii), which all occur at Arroyo Mocho. Special status plant species known from these two sites total 23 rare plant occurrences (populations), which represent an estimated 50,929 rare plant individuals. This total of all special status plant species breaks down to one occurrence of a federally and/or state listed plant species (98 individuals), six occurrences of California Rare Plant Rank (CRPR) 1 & 2 species (49,010 individuals), and 16 occurrences of CRPR 3 & 4 species (1,821 individuals). A total of 35 vegetation communities were mapped at Site 300, of which 20 are considered Sensitive Natural Communities. A total of nine vegetation communities were mapped at Arroyo Mocho, of which two are considered Sensitive Natural Communities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

35 GeV e-p collisions, SM type, LEPTO/ARIADNE generator: gev35ep_lepto6ard_dislowq2_jlab

This is a test sample to check the availability of Jlab data server. This sample is identical to gev35ep_lepto6ard_dislowq2. Electron-proton collisions. LEPTO 6.5 with ARIADNE 4.12. Q2>1 GeV2. Min W2 was set to 4 GeV2, and the minimum energy of scattered electron was set to 0.3 GeV. MSTW2008lo68cl PDF (LHAPDF= 21000) is used. Collision energy: E(p)=60 GeV and E(e-)=5 GeV. These energies are designed for the JLab EIC proposal. The samples were requested by J.Repond for ANL LDRD detector studies. Note that all exclusive processes were removed, therefore, this sample is not realistic for physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2007

Strain Measurement Using FBG on COPV in Stress Rupture Test

White Sands Test Facility (WSTF) was requested to perform ambient temperature hydrostatic pressurization testing of a Space Transportation System (STS) 40-in. Kevlar Composite Overwrapped Pressure Vessel (COPV). The 40-in. vessel was of the same design and approximate age as the STS Main Propulsion System (MPS) and Orbiter Maneuvering System (OMS) vessels. The NASA Engineering Safety Center (NESC) assembled a team of experts and conducted an assessment that involved a review of national Kevlar COPY data. During the review, the STS COPVs were found to be beyond their original certification of ten years. The team observed that the likelihood of STS COPV Stress rupture, a catastrophic burst before leak failure mode, was greater than previously believed. Consequently, a detailed assessment of remaining stress rupture life became necessary. Prior to STS-114, a certification deviation was written for two flights of OV-103 (Discovery) and OV-104 (Atlantis) per rationale that was based on an extensive review of the Lawrence Livermore National Laboratories, COPV data, and revisions to the STS COPV stress levels. In order to obtain flight rationale to extend the certification deviation through the end of the Program, the Orbiter Project Office has directed an interagency COPV team to conduct further testing and analysis to investigate conservatism in the stress rupture model and evaluate material age degradation. Additional analysis of stress rupture life requires understanding the fiber stresses including stress that occurs due to thru-wall composite compression in COPV components. Data must be obtained at both zero gauge pressure (pre-stress) and at the component operating pressure so that this phenomenon can be properly evaluated. The zero gauge pressure stresses are predominantly a result of the autofrettage process used during vessel manufacture. Determining these pre-stresses and the constitutive behavior of the overwrap at pressure will provide necessary information to better predict the remaining life of the STS COPVs. The primary test objective is obtaining data to verify the hypothesis of a radially oriented thru-thickness stress-riser in the COPV composite whose magnitude is a function of the applied pressure and the load history. The anticipated load dependent response follows from the constitutive behavior of the composite overwrap so data to quantify its nonlinear and time dependent response will be sought. The objective of the Fiber Braggs Gratings (FBGs) were to advance the state-of-the-art by developing techniques using FBG sensors that are capable of assessing stress-rupture degradation in Kevlar COPVs in a health monitoring mode (1). Moreover, they sought to answer questions of how embedded sensors affect overall integrity of the structure. And lastly, they sought to provide an important link in the overall stress rupture study that will help close the loop on the COPV fabrication process. NDE inspection methods will be used from start to finish and FBG will be an integral link within the overall chain.

Banks, Curtis↗

DOE OSTI2017

Staff Report to the Secretary on Electricity Markets and Reliability

Energy Secretary Rick Perry issued a memo in April of 2017 requesting a study and directing his staff to develop a report to include an assessment of the reliability and resilience of the electric grid and an overview of the evolution of electricity markets. Various factors have emerged over the past 15 years which have impacted power supply and demand in different ways. This study, prepared by experts throughout the Department, contains a comprehensive analysis of these factors and the corresponding data, and presents a series of recommendations meant to inform and guide policy makers, regulators, and the general public. Potential areas for further research are also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Data Validation Package September 2016 Groundwater and Surface Water Sampling at the Slick Rock, Colorado, Processing Sites January 2017

The Slick Rock, Colorado, Processing Sites are referred to as the Slick Rock West Processing Site (SRK05) and the Slick Rock East Processing Site (SRK06). This annual event involved sampling both sites for a total of 16 monitoring wells and 6 surface water locations as required by the 2006 Draft Final Ground Water Compliance Action Plan for the Slick Rock, Colorado, Processing Sites (GCAP). A domestic well was also sampled at a property adjacent to the Slick Rock East site at the request of the landowner.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Retransmission error control with memory

In this paper, an error control technique that is a basic improvement over automatic-repeat-request ARQ is presented. Erroneously received blocks in an ARQ system are used for error control. The technique is termed ARQ-with-memory (MRQ). The general MRQ system is described, and simple upper and lower bounds are derived on the throughput achievable by MRQ. The performance of MRQ with respect to throughput, message delay and probability of error is compared to that of ARQ by simulating both systems using error data from a VHF satellite channel being operated in the ALOHA packet broadcasting mode.

Sindhu, P. S.↗

NASA NTRS2000

Yawed-Rolling Tire Mechanical Properties Testing of the Navy T-45 Aircraft Tires

The T-45 Goshawk is a United States Navy Jet aircraft used primarily as a trainer. The aircraft design makes use of "off the shelf" hardware as much as possible and was found to have unusual directional control issues during around operations. The aircraft was involved in numerous pilot-induced-oscillation incidents as well as observed to have unusual directional control reactions to failed main gear tires, a condition that is normally handled relatively easily by conventional aircraft steering control techniques. The behavior of the aircraft's tires had previously been modeled in simulators as a result of approximations provided in 40-year-old reference publications. Since knowledge of the true tire cornering and braking behavior is essential to modeling, understanding, and fixing directional control problems, the United States Navy requested assistance from the NASA Langley Research Center's (LARC) Aircraft Landing Dynamics Facility (ALDF) to define the yawed-rolling mechanical properties of the T-45 aircraft tires. The purpose of this report is to document the results of testing the subject tires at the NASA LaRC ALDF in September 1998. Brief descriptions of the Instrumented Tire Test Vehicle (ITTV) are included to familiarize the reader with the ITTV capabilities, data acquisition system, test and measurement techniques, data accuracy, and analysis and presentation of the testing results.

Daugherty, Robert H.↗

NASA NTRS2013

Space Environments and Effects Program (SEE)

The need to preserve works and NASA documented articles is done via the collection of various Space Environments and Effects (SEE) related articles. (SEE) contains and lists the various projects that are ongoing, or have been conducted with the help of NASA. The goal of the (SEE) program is to make publicly available the environment technologies that are required to design, manufacture and operate reliable, cost-effective spacecraft for the government and commercial sectors. Of the many projects contained within the (SEE) program the Lunar-E Library and Spacecraft Materials Selector (SMS) have been selected for a more user friendly means to make the tools easily available to the public. This information which is still available required a person or entity to request access from a point of contact at NASA and wait for the requested bundled software DVD via postal service. Redesigning the material presentation and availability has been mapped to a single step process with faster turnaround time via Materials and Processes Technical Information System (MAPTIS) database. This process requires users to register and be verified in order to gain access to the information contained within. Aiding in the progression of making the software tools/documents available required a combination of specialized in-house data gathering software tools and software archeology.

Yhisreal-Rivas, David M.↗

NASA NTRS2018

Information Quality Cluster and Usability

The Information Quality Cluster (IQC) of the Federation of Earth Science Information Partners (ESIP) has been active since 2014 with membership from multiple organizations including NASA and NOAA. The purpose of this presentation is to foster collaboration between the IQC and the ESIP Usability Cluster. The IQC's activities are motivated partly by the guidelines on information quality from several federal agencies. The agencies developed the guidelines complying with a request in 2002 from the Office of Management and Budget (OMB). The OMB request resulted from a congressional mandate, namely, Section 515 of the Treasury and General Government Appropriations Act for Fiscal Year 2001 (Public Law 106-554; H.R. 5658). NASA's guidelines, for example, emphasize the need for high information quality indicating the various types of public users of information from NASA's missions and programs. The IQC's vision is to become an authoritative and responsive resource of information and guidance to data providers on how best to implement data quality standards and best practices, so that the implementations comply with the various agencies' guidelines, as well as provide users with the best quality of information possible. The IQC interacts with various national and international organizations and encourages collaboration for exchange of information. The IQC considers four aspects of information quality: Scientific Quality, Product Quality, Stewardship Quality and Service Quality. The IQC has considered several use cases to identify issues in capturing, describing, providing access to, and enabling use of information on quality. Several of these use cases point to issues about the usability of information. Collaboration between the IQC and Usability Cluster will be beneficial for arriving at solutions to such issues.

Remote Sensing; Data Systems; Information Quality;↗

NASA NTRSDate not supplied

NASA Operational Simulator for SmallSats (NOS3): Design Reference Mission

The NASA Operational Simulator for Small Satellites (NOS3) has undergone significant advances including updating the framework to be “component” based and expanding the open-source code to include a generic design reference mission to enable advanced technologies. This paper details the changes to the framework as well as a number of innovative use-cases the team is currently supporting such as 1) the expansion of NOS3 to support distributed systems missions in collaboration with NASA GSFC, 2) the integration of NASA JPL’s Science Yield improvement via Onboard Prioritization and Summary of Information Systems (SYNOPSIS) for on-orbit science data prioritization, and 3) the inclusion of NASA IV&V’s software-only CCSDS encryption library (CryptoLib). NOS3 continues to serve the SmallSat community by providing an open-source digital twin that can significantly reduce costs associated with spacecraft software development, test, and operations. The NOS3 team hopes to continue to expand the resources available to the community and partner with others to resolve issues and add new features requested via the NASA GitHub.

SmallSats↗

DOE OSTI2016

Transition to a Thorium-based Fuel Cycle - Choices, Challenges, and Options

The Charter for the Evaluation and Screening (E and S) of Nuclear Fuel Cycle Options requested by the US Department of Energy calls for the identification of promising fuel cycle options to help guide the future directions of research and development in this area. The final report for this study, which was produced by various national laboratory and industry experts, collected the expansive set of fuel cycle options into 40 evaluation groups (EGs). In support of this study, detailed steady-state physics and mass flow data for each of these groups were compiled into a set of Fuel Cycle Data Packages (FCDPs). The data in the FCDPs were then used to quantify the nine criteria detailed in the study to identify the most promising EGs. In addition to supporting the E and S study, data from these FCDPs can be used to benchmark fuel cycle simulation tools for equilibrium calculations. Once benchmarked, their dynamic modeling capabilities can support the continuing effort to determine the most effective approaches for transitioning to proposed advanced future fuel cycles. While steady-state conditions can be calculated directly in some cases, fuel cycle simulation tools allow for the transition scenarios to be simultaneously optimized on multiple parameters such as the fissile material availability, the amount of desirable material in storage, and the time required for transition. In addition to fuel cycle simulations where material availability is considered and is often a constraint to achieving transition, determining the technology needs to enable a transition to take place is also a key consideration (e.g., what technology is needed, when it is needed, and whether it is needed only during the transition and not for the equilibrium fuel cycle). This paper evaluates the material and technology issues and challenges associated with a transition from a uranium-based fuel cycle (such as that operating in the US today, represented by EG01) to a thorium-based fuel cycle, recognizing that thorium requires fissile material to start up. Based on the findings of the E and S report, the two most promising thorium fuel cycle options are considered in this report: (1) EG26, a thermal spectrum molten salt reactor (MSR), and (2) EG28, represented by a sodium fast reactor (SFR, fast spectrum) and a resource-renewable boiling water reactor (RBWR, intermediate spectrum). (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗