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DOE OSTI2021

Nonadiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene

In the current study, we present nonadiabatic (NAMD) and adiabatic molecular dynamics simulations of the transition-state dynamics of photoexcited cyclooctatetraene (COT). The equilibrium-state structure and absorption spectra are analyzed using the semiempirical Austin Model 1 potential. The NAMD simulations are obtained by a surface-hopping algorithm. We analyzed in detail an active excited to ground state relaxation pathway accompanied by an S 2 /S 3 (D 2d ) → S 1 (D 8h ) → S o (D 4h ) → S o (D 2d ) double-bond shifting mechanism. The simulated excitation lifetime is in good agreement with experiment. The first excited singlet state S1 plays a crucial role in the photochemistry. Here, the obtained critical molecular conformations, energy barrier, and transition-state lifetime results will provide a basis for further investigations of the bond-order inversion and photoswitching process of COT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

HighNESS conceptual design report: Volume I

The European Spallation Source, currently under construction in Lund, Sweden, is a multidisciplinary international laboratory. Once completed to full specifications, it will operate the world’s most powerful pulsed neutron source. Supported by a 3 million Euro Research and Innovation Action within the EU Horizon 2020 program, a design study (HighNESS) has been completed to develop a second neutron source located below the spallation target. Compared to the first source, designed for high cold and thermal brightness, the new source has been optimized to deliver higher intensity, and a shift to longer wavelengths in the spectral regions of cold (CN, 2–20 Å), very cold (VCN, 10–120 Å), and ultracold (UCN, >500 Å) neutrons. The second source comprises a large liquid deuterium moderator designed to produce CN and support secondary VCN and UCN sources. Various options have been explored in the proposed designs, aiming for world-leading performance in neutronics. These designs will enable the development of several new instrument concepts and facilitate the implementation of a high-sensitivity neutron-antineutron oscillation experiment (NNBAR). This document serves as the Conceptual Design Report for the HighNESS project, representing its final deliverable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Wind and Temperature Consensus at Horn Point, HU-Beltsville, Piney Run (Maryland) in support of CoURAGE

The Maryland Department of the Environment (MDE) operates a ground-based atmospheric profiling network consisting of collocated radar wind profilers (RWP) and radio acoustic sounding systems (RASS) as part of its Ambient Air Monitoring Program. This network provides continuous observations of wind and temperature structure in the lower troposphere to support air quality forecasting, regulatory analysis, and atmospheric research. The network currently includes three fixed sites across Maryland: Horn Point (HP, lower eastern shore) [38.587525°,-76.141006°], Howard University-Beltsville (HUB, central Maryland) [39.055277°, -76.878632°], and Piney Run (PR, western Maryland) [39.705950°, -79.012000°] The network is designed to capture regional variability in atmospheric transport and boundary-layer processes. These systems measure vertical profiles of horizontal wind speed and direction using Doppler radar techniques, with observations typically spanning from ~100 m above ground level up to approximately 2.5–4 km. Measurements are derived from the Doppler shift of backscattered electromagnetic signals, enabling retrieval of wind vectors at multiple altitudes with high temporal resolution (e.g., 30-minute averages reported every 6 minutes). Each radar wind profiler is paired with a Radio Acoustic Sounding System (RASS) to provide profiles of virtual temperature in the lower atmosphere (~100–200 m AGL) by measuring the propagation speed of acoustic waves. Together, the RWP/RASS system yields a coupled data set of thermodynamic and kinematic atmospheric structure, including additional parameters such as vertical velocity, radial velocity, signal-to-noise ratio, and spectral width for advanced analysis. There are two types of files for each station: wind data (files with a "w" prefix) and virtual temperature RASS data (files with a "t" prefix). The wind data files are in the format wYYDDD.cns, where YY is the 2-digit year and DDD is the day of the year. The RASS virtual temperature data files are in the format tYYDDD.cns. Each record has the following header structure: Line 1 : Station Name RASS files Line 2 : RASS rev DeTect_2.0, WINDS files Line 2 : WINDS rev ATI 5.1 Line 3 : N latitude, W longitude, and site elevation (m) Line 4 : Date and begin time of consensus: yy mm dd hh mn ss plus # minutes to add to get UTC Line 5 : Consensus averaging time (minutes); number of beams; number of range gates Line 6 : Number of records required to make consensus (num) total number of records (tot) and the consensus window size (m/s) in the format: num:tot (window) RASS files Line 7 : no. of coded cells, no. of spec, pulse width (ns), and inter-pulse period (µs), WINDS files Line 7 : No. of coded cells, no. of spectra, pulse width (ns), and inter-pulse period (µs), each with a pair of values: first value is for oblique beams, second for vertical RASS files Line 8 : Full scale Doppler value (m/s) Delay to first gate (ns) Number of gates Spacing of gates (ns), WINDS files Line 8 : Full scale Doppler velocity (m/s), oblique and vertical Vertical correction applied to oblique beams? (0 = no, 1 = yes) Delay to first gate (ns), oblique and vertical Number of gates, oblique and vertical Spacing of gates (ns), oblique and vertical Line 9 : Azimuth and elevation (9s indicate vertical beam not used) RASS files Line 10, values : HT = Height above ground (km), T = Uncorrected virtual temperature consensus (deg C), Tc = Corrected virtual temperature consensus (deg C), W = Vertical wind consensus (9s indicate vertical beam not used, w-component, positive upward, m/s), CNT = Number of records that made consensus (for the 3 values in same order), SNR = Average signal to noise ratio (dB) of records in consensus (same order) WINDS files Line 10, values : HT = Height above ground (km), SPD = Wind speed (m/s), DIR = Wind direction (deg E of N from N), RAD = Radial velocities for each beam (m/s) in order given in azimuth and elevation line (positive toward radar; 9s indicate vertical beam not used, CNT = Number of records that made consensus, SNR = Average signal to noise ratio (dB) of records in consensus

{"wind speed and direction",temperature}↗

NASA NTRS2007

Preliminary Experimental Measurements for a Gallium Electromagnetic (GEM) Thruster

A low-energy gallium plasma source is used to perform a spatially and temporally broad spectroscopic survey in the 220-520 nm range. Neutral, singly, and doubly ionized gallium are present in a 20 J, 1.8 kA (peak) arc discharge operating with a central cathode. When the polarity of the inner electrode is reversed the discharge current and arc voltage waveforms remain similar. Utilizing a central anode configuration, multiple Ga lines are absent in the 270-340 nm range. In addition, neutral and singly ionized Fe spectral lines are present, indicating erosion of the outer electrode. With graphite present on the insulator to facilitate breakdown, line emission from the gallium species is further reduced and while emissions from singly and doubly ionized carbon atoms and molecular carbon (C2) radicals are observed. These data indicate that a significant fraction of energy is shifted from the gallium and deposited into the various carbon species.

Thomas, Robert E.↗

NASA NTRS2011

Effect of Liquid Penetrant Sensitivity on Probability of Detection

The objective of the task is to investigate the effect of liquid penetrant sensitivity level on probability of detection (POD) of cracks in various metals. NASA-STD-5009 currently requires the use of only sensitivity level 4 liquid penetrants for NASA Standard Level inspections. This requirement is based on the fact that the data used to establish the reliably detectable flaw sizes penetrant inspection was from studies performed in the 1970s using penetrant deemed to be equivalent only to modern day sensitivity level 4 penetrants. However, many NDE contractors supporting NASA Centers routinely use sensitivity level 3 penetrants. Because of the new NASA-STD-5009 requirement, these contractors will have to either shift to sensitivity level 4 penetrants or perform formal POD demonstration tests to qualify their existing process. We propose a study to compare the POD generated for two penetrant manufactures, Sherwin and Magnaflux, and for the two most common penetrant inspection methods, water washable and post emulsifiable, hydrophilic. NDE vendors local to GSFC will be employed. A total of six inspectors will inspect a set of crack panels with a broad range of fatigue crack sizes. Each inspector will perform eight inspections of the panel set using the combination of methods and sensitivity levels described above. At least one inspector will also perform multiple inspections using a fixed technique to investigate repeatability. The hit/miss data sets will be evaluated using both the NASA generated DOEPOD software and the MIL-STD-1823 software.

Parker, Bradford H.↗

NASA NTRS2013

Regional Climate and Variability of the Summertime Continental United States in Reanalyses

Understanding climate variability at regional scales is an important for research and societal needs. Atmospheric retrospective-analyses (or reanalyses) integrate multitudes of observing systems with numerical models to produce continuous data that include variables not easily observed, if at all. The breadth of variables as well as observational influence included in reanalyses make them ideal for investigating climate variability. In this paper, we assess NASA s Modern Era Retrospective-analysis for Research and Application (MERRA) regional variability in North America, specifically the United States, in conjunction with current satellite data reanalyses. Emphasis is placed on summertime precipitation because 1) it is a difficult parameter to capture in the most difficult season, 2) significant observational resources exist to benchmark comparisons, and 3) accurate assessment of precipitation variability is crucial to a multitude of sectors and applications. Likewise, we have also begun to evaluate surface air temperature. While precipitation biases are identified, year to year variability of the precipitation variations, in many cases, are quite reasonable. However, some spurious long term trends and sudden shifts in the time series are also identified. In surface air temperature, analysis of station observations provides ERA Interim a clear overall advantage. However, in a number of regions, all the reanalyses are quite comparable in variability and trend. In other regions, significant precipitation biases may occur, which has implications for the ancillary process data in a reanalysis, such as surface fluxes. We also characterize the reanalyses ability to capture variability related to ENSO. In general, the summertime variations of precipitation in the reanalyses are more highly correlated (positively) to ENSO (using ENSO34) than are the observations. The Northwestern US shows the largest positive correlations to ENSO34, and reanalyses agree with that, and correlate highly with the gauge observations there. Additional evaluation of the data assimilation using the MERRA Gridded Innovations and Observations (GIO) data, which consists of the assimilated observations as well as forecast an analysis error fields. This work represents an initial evaluation of using the MERRA reanalysis to study regional climate variations of the United States, and identifying its applied limitations

Bosilovich, M G.↗

NASA NTRSDate not supplied

Datascope to Enable Earth Independent Medical Operations (EIMO)

BACKGROUND: NASA has amassed sixty years of knowledge and experience relevant to maintenance of crew health and performance in low earth orbit. The Apollo Program introduced the importance of ensuring progressively autonomous operational capability. Earth Independent Medical Operations (EIMO) will require a gradual shift in the balance of medical responsibility, management, and authority from terrestrial to space-based assets. Terrestrial assets will continue to be essential for pre-mission screening and planning in addition to maintenance of crew health and performance. However, new capabilities are needed to enable EIMO and the amount of data required to support these systems, and mitigate the impacts of data transmission delays and reduced bandwidth coupled with lack of cloud-like resources and on-board computing capacity that is currently unclear or operationally insufficient. OVERVIEW: The overall goal of EIMO is to develop artificial intelligence (AI)-based solutions to analyze crew health and performance data utilizing a clinical decision support system (CDSS) to provide crew medical officers (CMO) with the equivalent of real-time, on-board medical consults. The EIMO ecosystem is envisioned as a “system of systems” where embedded reference databases and real-time data streams from multiple input vectors continuously and seamlessly assess crew health and performance. EIMO will be designed to make recommendations to the CMO using multi-modal AI-based natural language processing and machine learning methods with interoperability to push/pull data within and between multiple vehicle and habitat architectures. DISCUSSION: Data flows and storage/retrieval capacity are severely constrained during space missions and the challenges will become even greater during exploration missions. Just as each past program from Mercury to the International Space Station (ISS) required rethinking the interaction between ground-based controllers and space-based crew, so too will future missions to the Moon and Mars. While the NASA High-Performance Spaceflight Computing Processor project aims to increase computational capacity by 100 times over current spaceflight computers, the projected deliverable still lags considerably behind what will be needed to enable an AI-driven CDSS. Restrictions in processing speed and data storage capacity, coupled with transmission bottlenecks and delays, necessitate definition and optimization of an integrated data architecture to enable a progressively autonomous medical capability.

Medical operations↗

DOE OSTI2017

Spatially Resolved Patchy Ly α Emission within the Central Kiloparsec of a Strongly Lensed Quasar Host Galaxy at z = 2.8

We report the detection of extended Ly α emission from the host galaxy of SDSS J2222+2745, a strongly lensed quasar at z = 2.8. Spectroscopic follow-up clearly reveals extended Ly α in emission between two images of the central active galactic nucleus (AGN). We reconstruct the lensed quasar host galaxy in the source plane by applying a strong lens model to HST imaging and resolve spatial scales as small as ∼200 pc. In the source plane, we recover the host galaxy morphology to within a few hundred parsecs of the central AGN and map the extended Ly α emission to its physical origin on one side of the host galaxy at radii ∼0.5–2 kpc from the central AGN. There are clear morphological differences between the Ly α and rest-frame ultraviolet stellar continuum emission from the quasar host galaxy. Furthermore, the relative velocity profiles of quasar Ly α , host galaxy Ly α , and metal lines in outflowing gas reveal differences in the absorbing material affecting the AGN and host galaxy. These data indicate the presence of patchy local intervening gas in front of the central quasar and its host galaxy. This interpretation is consistent with the central luminous quasar being obscured across a substantial fraction of its surrounding solid angle, resulting in strong anisotropy in the exposure of the host galaxy to ionizing radiation from the AGN. This work demonstrates the power of strong-lensing-assisted studies to probe spatial scales that are currently inaccessible by other means.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Equilibrium β-limits in classical stellarators

Here, a numerical investigation is carried out to understand the equilibrium β-limit in a classical stellarator. The stepped-pressure equilibrium code is used in order to assess whether or not magnetic islands and stochastic field-lines can emerge at high β. Two modes of operation are considered: a zero-net-current stellarator and a fixed-iota stellarator. Despite the fact that relaxation is allowed, the former is shown to maintain good flux surfaces up to the equilibrium β-limit predicted by ideal-magnetohydrodynamics (MHD), above which a separatrix forms. The latter, which has no ideal equilibrium β-limit, is shown to develop regions of magnetic islands and chaos at sufficiently high β, thereby providing a ‘non-ideal β-limit’. Perhaps surprisingly, however, the value of β at which the Shafranov shift of the axis reaches a fraction of the minor radius follows in all cases the scaling laws predicted by ideal-MHD. We compare our results to the High-Beta-Stellarator theory of Freidberg and derive a new prediction for the non-ideal equilibrium β-limit above which chaos emerges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

More Heavy Precipitation in World Urban Regions Captured Through a Two‐Way Subgrid Land‐Atmosphere Coupling Framework in the NCAR CESM2

Abstract Current global climate models (GCMs), limited to grid‐scale land‐atmosphere coupling, cannot represent subgrid urban‐rural precipitation contrasts. This study develops an innovative two‐way subgrid land‐atmosphere coupling framework in the National Center for Atmospheric Research (NCAR) Community Earth System Model version 2 (CESM2) to explicitly resolve land‐atmosphere interaction over subgrid individual land units. Results show that urban heat island (UHI) leads to the urban rainfall effect (URE), which in turn alleviates overestimated UHI over China in CESM2. The URE manifests as a shift toward more heavy precipitation and less light precipitation in world urban areas than in surrounding rural counterparts. This feature is consistent with available observations. In heavy precipitation situations, the UHI promotes atmospheric instability and enhances atmospheric water vapor holding capacity, resulting in more heavy precipitation in urban areas. Conversely, in light precipitation situations, the UHI and decreased evaporation from urban impermeable surfaces diminish atmospheric relative humidity, suppressing light precipitation.

Geology↗

DOE OSTI2016

Double-gated Si NW FET sensors: Low-frequency noise and photoelectric properties

The transport, noise, and photosensitivity properties of an array of silicon nanowire (NW) p{sup +}-p-p{sup +} field-effect transistors (FETs) are investigated. The peculiarities of photosensitivity and detectivity are analyzed over a wide spectrum range. The absorbance of p-Si NW shifts to the short wavelength region compared with bulk Si. The photocurrent and photosensitivity reach increased values in the UV range of the spectrum at 300 K. It is shown that sensitivity values can be tuned by the drain-source voltage and may reach record values of up to 2–4 A/W at a wavelength of 300 nm at room temperature. Low-frequency noise studies allow calculating the photodetectivity values, which increase with decreasing wavelength down to 300 nm. We show that the drain current of Si NW biochemical sensors substantially depends on pH value and the signal-to-noise ratio reaches the high value of 10{sup 5}. Increasing pH sensitivity with gate voltage is revealed for certain source-drain currents of pH-sensors based on Si NW FETs. The noise characteristic index decreases from 1.1 to 0.7 with the growth of the liquid gate voltage. Noise behavior is successfully explained in the framework of the correlated number-mobility unified fluctuation model. pH sensitivity increases as a result of the increase in liquid gate voltage, thus giving the opportunity to measure very low proton concentrations in the electrolyte medium at certain values of the liquid gate voltage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Carnegie Supernova Project-II: The Near-infrared Spectroscopy Program

Shifting the focus of Type Ia supernova (SN Ia) cosmology to the near infrared (NIR) is a promising way to significantly reduce the systematic errors, as the strategy minimizes our reliance on the empirical width-luminosity relation and uncertain dust laws. Observations in the NIR are also crucial for our understanding of the origins and evolution of these events, further improving their cosmological utility. Any future experiments in the rest-frame NIR will require knowledge of the SN Ia NIR spectroscopic diversity, which is currently based on a small sample of observed spectra. Along with the accompanying paper, Phillips et al., we introduce the Carnegie Supernova Project-II (CSP-II), to follow-up nearby SNe Ia in both the optical and the NIR. In particular, this paper focuses on the CSP-II NIR spectroscopy program, describing the survey strategy, instrumental setups, data reduction, sample characteristics, and future analyses on the data set. Here, in collaboration with the Harvard-Smithsonian Center for Astrophysics (CfA) Supernova Group, we obtained 661 NIR spectra of 157 SNe Ia. Furthermore this sample, 451 NIR spectra of 90 SNe Ia have corresponding CSP-II follow-up light curves. Such a sample will allow detailed studies of the NIR spectroscopic properties of SNe Ia, providing a different perspective on the properties of the unburned material; the radioactive and stable nickel produced; progenitor magnetic fields; and searches for possible signatures of companion stars.

(cosmology:) dark energy↗

DOE OSTI2023

The disCO2ver Platform: Curating Data and Tools for Geologic Carbon Sequestration and Deep Subsurface Research Systems

The U.S. DOE National Energy Technology Laboratory has invested 12+ years of development into the data repository and digital laboratory, the Energy Data eXchange (EDX, edx.netl.doe.gov). Supporting a variety of research areas across the DOE Office of Fossil Energy and Carbon Management, the platform has successfully curated and preserved thousands of data products from DOE research. The Carbon Storage Program has successfully supported data curation, upload, and publishing of data products on EDX for many years, demonstrating a success story of how resources like EDX can effectively help with long term preservation and publishing of DOE data products. EDX continues to shift towards cloud-supported infrastructure, taking a hybrid approach combining on-premises compute and storage integrated with cloud-hosted services. The integration of cloud compute and hybrid architecture enables the development of EDX-hosted platforms that tailor the data and tools hosted on them to a specific community, enables implementation of machine learning tools for data discovery and filtering, and enables the hosting of virtual (online user interface) tools. Geologic carbon sequestration (GCS) research continues to scale up in response to the current administration goals to reduce greenhouse gas emissions and transition the energy economy. Over the last year, EDX’s disCO2ver platform has been developed in response to the need for access to data products and tools to support the scaling up of GCS research. disCO2ver provides access to data resources and tools, produced by DOE and outside authoritative external resources. The platform also provides a user-access control component for the virtualization and cloud hosting of tools. Tools that need to be virtualized, to eliminate the need for users to download the tool and use local compute resources, is essential to supporting big-data analysis and machine learning that is becoming common place in carbon storage modeling, risk analysis, and data publishing practices. This talk will review the EDX’s disCO2ver platform and the current work ongoing to curate data and tools to support GCS and deep subsurface systems research.

Morkner, Paige↗

NASA NTRSDate not supplied

Replication of Segments of STS-94 as a Lunar Surface Mission

The Artemis program established the goal to land the first woman and first person of color on the Moon, but that is only the beginning of the program. Artemis plans to move towards a sustainable phase, with four crew living on the lunar surface for roughly 30-day annual missions, operating from a Pressurized Rover (PR) and a Surface Habitat (SH). The crew will split up – two living and operating from the PR and the others in the SH, perhaps swapping places halfway through the surface mission. There is a significant degree of maturity surrounding PR operations due to the NASA Desert Research and Technology Studies field tests from 2007-2011. However, there is a degree of uncertainty surrounding activity in the SH, with anecdotal speculation among some Artemis lunar surface engineers that the SH crew might not be fully utilized. Contrary to this belief, there is evidence in US human spaceflight history that the SH crew may instead be extremely busy. In particular, portions of the STS-94 Microgravity Science Lab mission demonstrate a science-based use case for crew activity in the SH. Fifteen Spacelab missions (not including STS-83, which was terminated early due to a fuel cell problem and reflown as STS-94) and eight Spacehab missions used the previously mentioned modules as science labs to expand the science capability of shuttle orbital missions, most flown prior to the assembly of the International Space Station. STS-94 is selected as an example of these flights. STS-94 was a 15.7-day mission with a 7-person crew. The crew operated in split 12-hour shifts, enabling 24-hour science operations. STS-94 used the space shuttle Columbia with the Spacelab module and Extended Duration Orbiter pallet in the cargo bay. The STS-94 physical science investigations were intended to explore various physical aspects of microgravity. These same investigations can be conducted on the Moon to explore 1/6 gravity. The Spacelab module was outfitted with several key facilities to enable this research: Large Isothermal Furnace, Combustion Module-1, Droplet Combustion Experiment, EXPRESS Rack, TEMPUS, Gravity Measurement Devices, and Middeck Glovebox. The current reference concept for the SH is a hybrid inflatable in a vertical orientation. Fairly typical of hybrid inflatables, the SH has an aluminum core pressurized section and a larger inflatable volume, in this case attaching to the top of the core. Two crew will live in the SH at a time, though four can briefly occupy the habitat, such as for contingency or handover activities. This paper will discuss use of the STS-94 physical science equipment in the SH and options for the architectural layout of a resulting physics laboratory. It will also discuss how this laboratory may accompany other science facilities such as biology, human research, and geology. The person hours used by the STS-94 crew to conduct physical science research will be estimated and then mapped to a two-person SH crew, making it possible to determine how many days are required in the SH to complete the lunar gravity physical science investigations at varying levels of crew availability.

STS-94↗

DOE OSTI2026

Theory Guided Fine‐Tune of Strain Effects in Pt Ternary Alloy via Rare Earth Templating: Achieving High Performance PEMFCs Catalysts

The sluggish kinetics and insufficient durability of platinum-based catalysts remain crucial barriers limiting proton-exchange-membrane fuel cells (PEMFCs) deployment. Here, we report a theory-guided synthesis combined with rare-earth templating to realize a previously inaccessible Pt 5 Co-like phase with tailored atomic-scale strain. Guided by density functional theory (DFT) calculations, we identified that a Pt 5 Co-like sublayer can induce a unique mild compressive strain (−1.24%) to the Pt(111) shell and an optimal *OH binding energy shift (ΔE ≈ 0.11 eV). This shift positions the alloy catalyst near the apex of the oxygen reduction reaction activity volcano. This prediction guided the synthesis of ternary alloy Pt 5 (Ce)Co@Pt multilayer nanoparticles, featuring a Ce-stabilized core, a Pt 5 Co-like sublayer, and a Pt-rich shell. This catalyst demonstrates both exceptionally high activity and durability, achieving a mass activity of 2.6 A∙mg Pt −1 in rotating disk electrode testing. In fuel cell membrane electrode assembly tests, Pt 5 (Ce)Co@Pt achieves a current density of 1.9 A∙cm −2 at 0.7 V under heavy-duty vehicle conditions. Remarkably, it maintains 1.2 A∙cm −2 after 1 80 000 AST cycles, doubling the U.S. DOE 2025 target. This work demonstrates a rational design strategy that DFT-guided strain engineering integrates with rare-earth templating to advance Pt-based catalysts for fuel cell applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

On legitimacy in impact assessment: An epistemologically-based conceptualisation

Highlights: • Impact assessment (IA) has lost its roots in provision of reliable evidence. • IA is theoretically position ontologically and epistemologically • Theory is used to examine the understanding of legitimacy and finds it to be inadequate. • Recent political decisions show knowledge is missing from understanding of legitimacy. • Knowledge legitimacy is conceptualised to redress the current misunderstandings. - Abstract: Impact assessment (IA) is carried out as an ex ante process to inform decision-making. It includes requirements for engagement with stakeholders (including the public) regarding actions proposed by a proponent. A key issue with the various stakeholders involved is the perceived legitimacy of the IA, which can have implications both for the reputation of the proponent, and the likelihood of conflict over the decision. But the understanding of legitimacy in the IA literature has changed over time in line with an ontological shift from positivism (that scientifically generated information leads to better informed decisions) to the post-positivist acknowledgement of the limitations of scientific method whereby assumptions must be subject to transparency, deliberation and openness. This has led to an epistemological shift towards greater subjectivism which, we suggest, has created new opportunities (which have been realised in political decision-making) to subvert knowledge through the increased use of the Internet and social media. To address the potential for such subversion of legitimacy, we seek to conceptualise legitimacy in the IA context through framing IA around a critical realist ontology and a reliabilist virtue epistemology. This allows us to identify ‘knowledge legitimacy’ as an equally important component of IA legitimacy along with organisational legitimacy. We conceptualise knowledge legitimacy through literature review drawing on rich understandings of knowledge from IA and other fields of research in order to develop a four-dimensional typology. This includes the dimensions of: knowledge accuracy; knowledge restriction; knowledge diffusion; and knowledge spectrum. This is the first theoretically grounded attempt to understand legitimacy in IA. It is hoped that it will provoke discussion in the IA community to further advance theoretical understandings of IA and legitimacy of practice.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Noisy-Intermediate-Scale Quantum Electromagnetic Transients Program

Quantum-empowered electromagnetic transients program (QEMTP) is a promising paradigm for tackling EMTP's computational burdens. Nevertheless, no existing studies truly achieve a practical and scalable QEMTP operable on today's noisy-intermediate-scale quantum (NISQ) computers. The strong reliance on noise-free and fault-tolerant quantum devices--which appears to be decades away--hinder practical applications of current QEMTP methods. Here, we devise a NISQ-QEMTP methodology which for the first time transitions the QEMTP operations from ideal, noise-free quantum simulators to real, noisy quantum computers. The main contributions lie in: (1) a shallow-depth QEMTP quantum circuit for mitigating noises on NISQ quantum devices; (2) practical QEMTP linear solvers incorporating executable quantum state preparation and measurements for nodal voltage computations; (3) a noise-resilient QEMTP algorithm leveraging quantum resources logarithmically scaled with power system dimension; (4) a quantum shifted frequency analysis (QSFA) for accelerating QEMTP by exploiting dynamic phasor simulations with larger time steps; (5) a systematical analysis on QEMTPs performance under various noisy quantum environments. Extensive experiments systematically verify the accuracy, efficacy, universality and noise-resilience of QEMTP on both noise-free simulators and IBM real quantum computers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Well Stimulation Treatment in California: Evaluation of Disclosure Data, May 2015 – October 2019

In this document, disclosure data from 1,228 well stimulations occurring May 2015 to October 2019 in California are evaluated. This evaluation updates a previous study that was based on 618 well stimulations occurring May 2015 to June 2016 (Stringfellow, W.T., Camarillo, M.K., and Jordan, P. 2017, Status of Well Stimulation in California Since Implementation of SB-4 Regulations, Berkeley National Laboratory, Berkeley, CA). While the goal of the previous study was to provide a summary of information obtained since passage of California Senate Bill No. 4—Oil and Gas, the goal of the current evaluation is to provide a basis for studying chemical indicators that could potentially be used to detect aquifer contamination. We evaluate chemical indicators is a separate document using the data contained herein as well as data from monitoring wells located within oil fields. Compared with the data used by Stringfellow et al. 2017, the current evaluation is based on a more diverse data set. While the previous study contained data for only two oil fields with more than 30 well stimulations, the current data set contains four oil fields with more than 30 well stimulations, making these data more ideal for comparisons using statistical tests. More producers and a new oil field, Buena Vista Nose, are represented in the current data set. Some well stimulation practices remain relatively unchanged since the previous study. Well stimulation is mostly occurring in Kern County with the exception of a single well stimulation in Orange County. Almost all well stimulations are hydraulic fracturing. The current data set contains two acid fracturing treatments and one matrix acidizing treatment. The median number of chemicals added per well stimulation—excluding water and proppant—was previously 21; the number in the expanded data set is 20. Median water added per well stimulation was previously 89,000 gallons and is now 98,000 gallons. While this water use represents a 10% increase, water use for hydraulic fracturing in California is still lower than water use in other oil and gas fields. Chemical formulations appear to have shifted since the previous study. This shift may be related to a change in the predominant service company. We identified 26 chemicals for which the frequency of use has changed by more than 30%. The total number of chemicals used has also expanded. Previously, 178 unique chemicals were identified as being added to well stimulation fluids. The total number of unique chemicals is now 205. Analytical data available for base and recovered fluids has expanded. The number of base fluid samples has increased from 12 to 35 and the number of recovered fluid samples has increased from 1,078 to 2,166. The expanded data set is more ideal for an evaluation of indicator chemicals and comparisons across different formations. The analytical data for recovered fluid samples indicates that many ions, radioactive constituents, and organics are consistently observed, making these chemicals ideal for consideration as potential indicators of aquifer contamination.

54 ENVIRONMENTAL SCIENCES↗