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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes

With a longer-term goal of addressing the comparative behavior of the aqueous halides F−, Cl−, Br−, and I− on the basis of quasi-chemical theory (QCT), here we study structures and free energies of hydration clusters for those anions. We confirm that energetically optimal (H2O)nX clusters, with X = Cl−, Br−, and I−, exhibit surface hydration structures. Computed free energies, based on optimized surface hydration structures utilizing a harmonic approximation, typically (but not always) disagree with experimental free energies. To remedy the harmonic approximation, we utilize single-point electronic structure calculations on cluster geometries sampled from an AIMD (ab initio molecular dynamics) simulation stream. This rough-landscape procedure is broadly satisfactory and suggests unfavorable ligand crowding as the physical effect addressed. Nevertheless, this procedure can break down when n≳4, with the characteristic discrepancy resulting from a relaxed definition of clustering in the identification of (H2O)nX clusters, including ramified structures natural in physical cluster theories. With ramified structures, the central equation for the present rough-landscape approach can acquire some inconsistency. Extension of these physical cluster theories in the direction of QCT should remedy that issue, and should be the next step in this research direction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Kinematic and dynamical origins of mean-p T fluctuations in heavy-ion collisions

Event-by-event fluctuations of the mean transverse momentum (mean-p T ) provide a sensitive probe of collective dynamics beyond single-particle spectra and anisotropic flow. We present a systematic study of mean-p T fluctuation observables using a Bayesian-calibrated multistage hydrodynamic framework, including quantitative comparisons to RHIC measurements and model-based investigations of beam-energy and kinematic-acceptance effects. The experimental definitions employed by the STAR and ALICE Collaborations are implemented explicitly and found to yield consistent results within controlled limits. We study the centrality and beam-energy dependence of the observable, its sensitivity to key soft-sector ingredients, and the impact of the kinematic p T acceptance. By introducing scaled-p T cuts, we demonstrate that a part of the apparent energy dependence arises from kinematic projection effects, while the remaining trends reflect genuine collective dynamics. Our results establish mean-p T fluctuations as a nontrivial and independent validation of calibrated hydrodynamic descriptions of the quark–gluon plasma.

Event-by-event correlations↗
DOE OSTI2024

Assessing Total Cost of Driving Competitiveness of Zero-Emission Trucks

This file includes supporting data on modeled medium and heavy-duty vehicle (MHDV) stock, sales, energy consumption, greenhouse gas (GHG) emissions, and total cost of driving (TCD) for the scenarios presented in "Assessing Total Cost of Driving Competitiveness of Zero-Emission Trucks". It also includes input assumptions for vehicle technology attributes (cost and fuel economy), fuel costs, maintenance costs, and the opportunity cost of charging time for the central scenario and relevant sensitivities. Values are reported at the national (United States) level for all vehicle classes and technologies. Tab 'B' inclues definitions, while data is provided in subsequent sheets.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Integration of Utility Distributed Energy Resource Management System and Aggregators for Evolving Distribution System Operators

With the rapid integration of distributed energy resources (DERs), distribution utilities are faced with new and unprecedented issues. New challenges introduced by high penetration of DERs range from poor observability to overload and reverse power flow problems, under-over-voltages, maloperation of legacy protection systems, and requirements for new planning procedures. Distribution utility personnel are not adequately trained, and legacy control centers are not properly equipped to cope with these issues. Fortunately, distribution energy resource management systems (DERMSs) are emerging software technologies aimed to provide distribution system operators (DSOs) with a specialized set of tools to enable them to overcome the issues caused by DERs and to maximize the benefits of the presence of high penetration of these novel resources. However, as DERMS technology is still emerging, its definition is vague and can refer to very different levels of software hierarchies, spanning from decentralized virtual power plants to DER aggregators and fully centralized enterprise systems (called utility DERMS). Although they are all frequently simply called DERMS, these software technologies have different sets of tools and aim to provide different services to different stakeholders. This paper explores how these different software technologies can complement each other, and how they can provide significant benefits to DSOs in enabling them to successfully manage evolving distribution networks with high penetration of DERs when they are integrated together into the control centers of distribution utilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

MultiSector Dynamics: Advancing the Science of Complex Adaptive Human-Earth Systems

The field of MultiSector Dynamics (MSD) explores the dynamics and co-evolutionary pathways of human and Earth systems with a focus on critical goods, services, and amenities delivered to people through interdependent sectors. This commentary lays out core definitions and concepts, identifies MSD science questions in the context of the current state of knowledge, and describes ongoing activities to expand capacities for open science, leverage revolutions in data and computing, and grow and diversify the MSD workforce. Central to our vision is the ambition of advancing the next generation of complex adaptive human-Earth systems science to better address interconnected risks, increase resilience, and improve sustainability. This will require convergent research and the integration of ideas and methods from multiple disciplines. Understanding the tradeoffs, synergies, and complexities that exist in coupled human-Earth systems is particularly important in the context of energy transitions and increased future shocks.

Reed, Patrick↗
DOE OSTI2026

Integrative Modeling and Analysis of Fungal Central Carbon Metabolism

Over a thousand fungal genomes have been sequenced, yet manually curated genome-scale metabolic models (GEMs) are available for only a limited number of species. Moreover, these models have often been developed independently, leading to inconsistencies in namespaces, compartment definitions, and pathway representations that hinder comparative analysis, the systematic reuse of prior curation efforts, and the integration of consolidated metabolic knowledge. Here, we present the Consolidated Fungal Core Metabolism Model (CFCMM), constructed by integrating thirteen published fungal models spanning Ascomycota, Mucoromycota, and both Crabtree-positive and Crabtree-negative yeasts. We harmonized metabolites and reactions into a non-redundant shared ModelSEED ontological space, standardized compartmentalization, and refined gene–protein–reaction (GPR) rules. Using pathway-level visualization and systematic gap detection, we further improved the integrated network through literature-guided curation to correct stoichiometry, stereospecificity, and pathway architecture. Orthologous protein family reconstruction and functional annotation workflows were used to validate and inform GPR associations, with particular emphasis on ambiguous enzyme superfamilies and membrane-associated components. Using the resulting CFCMM, we built high-quality central carbon core models for each fungus and performed flux balance analysis to quantify ATP-yield variation under aerobic and anaerobic conditions, explicitly evaluating scenarios driven by differences in electron transport chain (ETC) composition. Simulations reproduced the expected fermentative yield of approximately 2 mmol ATP per mmol glucose under anaerobic conditions and separated the thirteen fungi into two bioenergetic groups under aerobic respiration based on Complex I status, with predicted yields of approximately 30 versus 22 mmol ATP per mmol glucose. Forcing flux through the alternative oxidase bypass further reduced ATP yields to approximately 12 and 4 mmol ATP per mmol glucose in Complex I-containing and Complex I-lacking fungi, respectively. Collectively, this work provides a manually curated, ModelSEED-consistent, and extensible fungal core metabolic template, deployed in DOE KBase as a resource for automated reconstruction of central carbon core models from any sequenced fungal genome. In addition, the CFCMM provides modular components for developing GEMs with more accurate energy predictions and enables robust comparative analyses of fungal bioenergetics and core metabolic diversity

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Neutrino properties from muonium-antimuonium mixing

The nature of neutrino mass — whether neutrinos are Dirac or Majorana particles — remains one of the central open questions in particle physics. While observation of neutrinoless double beta decay would confirm the Majorana case, the absence of a signal offers no definitive insight. In light of this, we investigate muonium-antimuonium mixing — proposed for further study at the MACE experiment — as an alternative probe of neutrino properties. We compute the mixing amplitude in the Standard Model minimally extended to include massive Dirac or Majorana neutrinos, and correct previous calculations by properly treating the relevant infrared scales. As the GIM mechanism strongly suppresses the Dirac contribution, we explore whether relaxing unitarity of the PMNS matrix can enhance the mixing without obscuring neutrino properties. Surprisingly, the answer to this question is negative. We also examine the pseudo-Dirac case — predominantly Dirac neutrinos with small Majorana masses — and find that this scenario can significantly enhance the mixing compared to the pure Dirac case, especially for normal mass ordering.

Neutrino interactions↗
DOE OSTI2025

Unraveling nonperturbative QCD with transverse momentum hadronic structures

The main purpose of this thesis is to investigate the theoretical foundations of the factorization theorems that involve transverse quark and gluon momentum distributions, and to better understand the interface between foundational questions and phenomenological applications. Many of these applications involve using transverse parton momentum dependent (TMD) correlation functions as tools for probing the complex nonperturbative structures of the hadrons. We first introduce the concepts of collinear and TMD factorization in a toy-model theory and, by leveraging the comparative simplicity of such a model, we test the range of validity and limitations of the factorization approach. At the same time, we introduce the conventional approaches that are adopted for the phenomenological extractions of the TMD distributions, and catalog the advantages and disadvantages. Following the general theoretical framework of factorization, we then develop a different approach to TMD phenomenology that is able to systematically integrate the perturbative and non perturbative information in parametrizations of TMD distributions, while being completely consistent with their operator definitions and the predictions of QCD, including their nontrivial evolution. The name Hadron Structure Oriented approach, or HSO, is coined in order to emphasize the central role of the nonperturbative nature of QCD and its relation to the partonic structure of hadrons. Finally, we provide a first phenomenological implementation of the HSO approach by extracting TMD distributions relying on low-to-moderate energy Drell-Yan data. The quality and robustness of the results are then compared against higher energy processes like high-Q2 Z0 boson production. Our analysis demonstrates the feasibility of this novel approach and points the way toward the improvements it can achieve in future applications.

Rainaldi, Tommaso [Old Dominion Univ., Norfolk, VA↗
DOE OSTI1995

Nuclear Safety [Vol. 36, No. 1, January-June 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 1 The Chornobyl Accident Revisited, Part II: The State of the Nuclear Fuel Located Within the Chornobyl Sarcophagus, A A. Borovoi and A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 33 Nuclear Power Safety in Central and Eastern Europe, R. Wilson; 46 Safety of Nuclear Power Reactors in the Former Eastern European Countries, S. Chakraborty; 53 Technical Note: On the Definition of Common-Cause Failures, H. Paula; ACCIDENT ANALYSIS: 58 Modeling and Analysis of Core-Debris Recriticality During Hypothetical Severe Accidents in the Advanced Neutron Source Reactor, S.-H. Kim, V. Georgevich, D. B. Simpson, C. O. Slater, and R. P. Taleyarkhan; 68 Ignitability of Hydrogen/Oxygen/Diluent Mixtures in the Presence of Hot Surfaces, R. K. Kumar and G. W. Koroll; 94 Coupled RELAP5 and CONTAIN Accident Analysis Using PVM, K. A. Smith, A. J. Baratta, and G. E. Robinson; CONTROL AND INSTRUMENTATION: 109 Application of Fuzzy Logic in Nuclear Reactor Control Part I: An Assessment of State-of-the-Art, A. S. Heger, N. K. Alang-Rashid, and M. Jamshidi; DESIGN FEATURES: 122 Twenty-Third DOE/NRC Nuclear Air-Cleaning and Treatment Conference, R. R. Bellamy, J. J. Hayes, and M. W. First; ENVIRONMENTAL EFFECTS: 135 Atmospheric Dispersion and the Radiological Consequences of Normal Airborne Effluents from a Nuclear Power Plant, D. Fang, C. Z. Sun, and L. Yang; 142 Calculation of Distribution Coefficients for Radionuclides in Soils and Sediments, I. Puigdomenech and U. Bergstrom: OPERATING EXPERIENCES: 155 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 158 Operating Experience Feedback Report—Reliability of Safety-Related Steam Turbine-Driven Standby Pumps Used in U.S. Commercial Nuclear Power Plants, J. R. Boardman; 166 Turbine Building Hazards, H. L Ornstein; RECENT DEVELOPMENTS: 169 Reports, Standards, and Safety Guides, D. S. Queener; 175 Proposed Rule Changes as of Dec. 31,1994; ANNOUNCEMENTS: 32 Harvard School of Public Health In-Place Filter Testing Workshop; 134 International Conference on Advances in the Operational Safety of Nuclear Power Plants; 193 30th Tennessee Industries Week; 193 DOE Technical Standards Program 1995 Workshop; 194 Multiphase Flow Experiments and Instrumentation; 180 The Authors; 185 Indexes to Nuclear Safety, Volumes 34 and 35.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A tunable dielectric resonator for axion searches at 11 GHz

In the context of axion search with haloscopes, tunable cavity resonators with high quality factor and high effective volume at frequencies above about 8 GHz are central for probing the axion-photon coupling with the required sensitivity to reach the QCD axion models. Higher order modes in dielectrically-loaded cavities allow for higher effective volumes and larger quality factors compared to basic cylindrical cavities, but a proper cavity frequency tuning mechanism to probe broad axion mass ranges is yet not available. In this work, we report about the design and construction of a tunable prototype of a single-shell dielectric resonator with its axion-sensitive pseudo-TM$_{030}$ high-order mode at about 11 GHz frequency. A clamshell tuning method previously tested for empty cylindrical resonators has been perfected for this geometry through simulations and in situ tests conducted at cryogenic temperature. Tuning is accomplished in a range of about 2 $\%$ the central frequency, without significantly impacting the quality factor of about 175000. The experimental results presented in this work demonstrate the tunability of this type of resonator, definitely confirming its applicability to high frequency axion searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

SPRUCE Ground Observations of Phenology in Experimental Plots, 2019

This data set consists of phenological transition dates, as derived from direct observations of vegetative and reproductive phenology recorded by a human observer, from the SPRUCE experiment during 2019, the third full year of whole-ecosystem warming (Hanson et al. 2017). Both spring and autumn phenological events are included. Since April 2016, human observers have been directly tracking the phenology of both woody and herbaceous species on a weekly schedule within the SPRUCE experimental chambers. The observed date report here is the first survey date on which an event/phenophase was definitively observed. The SPRUCE experiment is located within the S1 peat bog at the Marcell Experimental Forest, approximately 40 km north of Grand Rapids in north-central Minnesota, USA. User note: Ground observations of phenology from 2016-2021 are available. See SPRUCE Ground Observations of Phenology in Experimental Plots, 2021 https://doi.org/10.25581/spruce.094/1874936 for the most recent data as well as links to all other ground phenology datasets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

East Antarctic Ice Sheet variability in the central Transantarctic Mountains since the mid Miocene

The response of the East Antarctic Ice Sheet to warmer-than-present climate conditions has direct implications for projections of future sea level, ocean circulation, and global radiative forcing. Nonetheless, it remains uncertain whether the ice sheet is likely to undergo net loss due to amplified melting coupled with dynamic instabilities or whether such losses will be balanced, or even offset, by enhanced accumulation under a higher-precipitation regime. The glacial depositional record from the central Transantarctic Mountains (TAM) provides a robust geologic means to reconstruct the past behaviour of the East Antarctic Ice Sheet, including during periods thought to have been warmer than today, such as the mid-Pliocene Warm Period (~3.3–3.0 Ma). This study describes a new surface-exposure-dated moraine record from Otway Massif in the central TAM spanning the last ~9 Myr and synthesises these data in the context of previously published moraine chronologies constrained with cosmogenic nuclides. The resulting record, although fragmentary, represents the majority of direct and unambiguous terrestrial evidence for the existence and size of the East Antarctic Ice Sheet during the last 14 Myr, and it thus provides new insight into the long-term relationship between the ice sheet and global climate. At face value, the existing TAM moraine record does not exhibit a clear signature of the mid-Pliocene Warm Period, thus precluding a definitive verdict on the East Antarctic Ice Sheet's response to this event. In contrast, an apparent hiatus in moraine deposition both at Otway Massif and the neighbouring Roberts Massif suggests that the ice sheet surface in the central TAM was potentially lower than present during the late Miocene and earliest Pliocene.

58 GEOSCIENCES↗
DOE OSTI2023

An Extensive Catalog of Early-type Dwarf Galaxies in the Local Universe: Morphology and Environment

We present an extensive catalog of 5405 early-type dwarf (dE) galaxies located in the various environments, i.e., clusters, groups, and fields, of the local universe (z < 0.01). The dEs are selected through visual inspection of the Legacy survey's g–r–z combined tricolor images. The inspected area, covering a total sky area of 7643 deg 2 , encompasses two local clusters (Virgo and Fornax), 265 groups, and the regions around 586 field galaxies of M K < -21 mag. The catalog aims to be one of the most extensive and publicly accessible collections of data on dEs, despite its complex completeness limits, which may not accurately represent its statistical completeness. The strength of the catalog lies in the morphological characteristics, including nucleated, tidal, and ultradiffuse dEs. The two clusters contribute nearly half (2437 out of 5405) of the dEs, and the 265 groups contribute 2103 dEs. There are 864 dEs in 586 fields, i.e., ~1.47 dEs per field. Using a standard definition commonly used in literature, we identify 100 ultradiffuse galaxies (UDGs), which compose ~2% of the dE population. We find that 40% of our sample dEs harbor a central nucleus, and among the UDG population, a majority (79%) are nonnucleated. About 1.3% of dEs suffer from ongoing tidal disturbance by nearby massive galaxies, and only 0.03% show a sign of recent dwarf–dwarf mergers. The association between dEs and their nearest bright neighbor galaxies suggests that dEs are more likely created where their neighbors are non-star-forming ones.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Addressing Uncertainty in MultiSector Dynamics Research

MultiSector Dynamics (MSD) research explores the dynamics and co-evolutionary pathways of human and Earth systems and the emerging interdependent sectors of energy, water, agriculture, and transportation among others. The interactions between these sectors are central to MSD science, as they capture how processes and feedbacks across Earth, environmental, infrastructure, and societal systems shape transitions, socioeconomic risks, and the provision of services. By definition, MSD research requires deep integration across diverse scientific disciplines, ranging from the natural to the social sciences and engineering. All these disciplines apply a variety of numerical simulation models to study and understand their underlying systems of focus. The utility of these models hinges on the fidelity with which they represent the real systems and their ability to produce novel insights about systems and their interactions. The coupled human-natural systems typically represented are shaped by a multitude of interdependent human and natural processes which, when modeled, translate to highly complex, non-linear, interacting behaviors. This ever-increasing complexity massively expands the uncertainty space of a model and can be found in model inputs, processes and parameters. This is further amplified when several models are combined to answer multisectoral questions, as additional uncertainty regarding coupling relationships and interactions is introduced.

IM3, Uncertainty and Sensitivity Analysis, multise↗
DOE OSTI2021

A consistent, Bayesian, approach to the cross section probability distribution in the unresolved resonance region

The cross sections of neutron-induced reactions can be divided into three energy ranges: the resolved resonance region (RRR), the unresolved resonance region (URR), and the fast region. In general, the cross sections in the URR show significant fluctuations that cannot be predicted and cannot be experimentally resolved, thus, it is commonly assumed that the cross section at a specific energy is given by a probability distribution function (PDF) over a range of values that can span several orders of magnitude. The current methodology used to describe such behavior is to construct the PDF by stochastically generating resonance ladders and numerically measuring the PDF. The resonance ladders are sampled using known resonance statistical properties and average resonance widths and spacings extrapolated from the RRR. Although this is a standard and widely used technique, it is computationally very expensive, therefore, an alternative, analytical, approach would be preferable due to the considerable speed up of the computational time in real life applications. Moreover, the current methodology does not take into account existing experimental data, such for total and capture cross sections, that are available for many nuclei. Finally, this approach was developed to be used in reactor-scale applications and it is not suited for use in single-event applications. In this work we will rethink the entire approach to the PDF construction using a Bayesian mindset. This will allow us to provide a different definition of the PDF that allows a much faster calculation of the higher-temperature PDFs and a proper combination of theoretical and experimental PDFs following the probability theory. We will also show that our definition is well suited for single-event applications and we will make an explicit connection between our method and the standard approach. We do this by showing that the central limit theorem applies and our method leads to the same PDF obtained with the standard methodology, for a large number of events per history.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Vortex rings from high energy central 𝑝 + 𝐴 collisions

Relativistic p + A collisions may produce droplets of quark gluon plasma (QGP) that quickly develop a toroidal vortex structure similar to that of an expanding smoke ring. We present viscous relativistic hydrodynamic calculations of ultra-central p + A collisions and develop an experimental observable to probe the structure, correlating the polarization and momentum of hyperons emitted from the collision. This effect is robust against changes in the definition of vorticity used to calculate the polarization. Experiments at RHIC and LHC may test the existence and strength of the vortex toroids, bringing new evidence to bear on the question of collectivity in the smallest QGP droplets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Thermal Hall conductance and a relative topological invariant of gapped two-dimensional systems

We derive a Kubo-like formula for the thermal Hall conductance of a 2d lattice systems which is free from ambiguities associated with the definition of energy magnetization. We use it to define a relative topological invariant of gapped 2d lattice systems at zero temperature. Up to a numerical factor, it can be identified with the difference of chiral central charges for the corresponding edge modes. This establishes the bulk-boundary correspondence for the chiral central charge. Here, we also show that for any local commuting projector Hamiltonian, the relative chiral central charge vanishes, while for free fermionic systems, it is related to the zero-temperature electric Hall conductance via the Wiedemann-Franz law.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

How different power plant types contribute to electric grid reliability, resilience, and vulnerability: a comparative analytical framework

Abstract This work explores the dependability tradeoffs provided by the most common types of central power plants in the United States. Historically, the electricity sector has lacked consensus on how reliability , resilience , and vulnerability differ and how those metrics change depending on the power plant fleet composition. We propose distinct definitions for these metrics and an analytical framework to evaluate power plant fleet dependability. Using data analysis and literature review, we identify fifteen dependability attributes across which we rank eleven power plant types relative to natural gas combined-cycle (NGCC) plants. We use NGCC as the benchmark because it is common to many locations and is of relatively recent vintage. The framework shows that each power plant type has unique dependability benefits and drawbacks. We provide examples of how researchers may use the framework to evaluate grid dependability qualitatively under different scenarios. We find that assuming all attributes that contribute to grid dependability are equally important and additive, electric grid dependability is best supported when power plant fleets include a mixture of power generation technologies. Then, we discuss scenario characteristics that could alter the prioritization and relationships of attributes. We also find that if current capacity installation trends continue to favor low- and zero-carbon power plants, US power grids may benefit from increased resilience and reduced vulnerability at the cost of decreased reliability. We conclude by recommending methods for adapting the framework and quantifying relationships between attributes in individual scenarios.

Ramirez-Meyers, K. (ORCID:0000000291216952)↗