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At least 1,099 records · Page 61

Determining the Appropriate Emergency Planning Attributes for Microreactors

Micro-reactor designs incorporate design features that provide very low reactor decay heat power at 24 hours after shutdown that is manageable in comparison with larger reactors. This attribute translates into a low probability of core damage negligible offsite dose. This paper provides the conceptual framework for appropriately structuring emergency planning requirements for micro-reactors while ensuring the U.S. Nuclear Regulatory Commission’s (NRC) commitment to safety is met. Due to the diversity in reactor designs comprising the micro-reactor community, this paper identifies the necessary concepts that should be considered to ensure emergency plans for micro-reactors are appropriate for the risk. This paper does not mandate specific design features for micro-reactors but provides reactor designers a conceptual framework for a scalable, graded approach to Emergency Planning Standards that should be considered in their individual designs in order to support simplified emergency plans. Given that accident source terms associated with micro-reactors are essentially negligible when compared with those for large light water reactors, revisions to emergency planning standards are justified. A graded approach to implementing emergency planning guidance can be used to appropriately structure micro-reactor emergency plans and reduce the size of the emergency planning zone and plume exposure pathway. Appropriately structuring emergency planning requirements will better optimize licensee and offsite agencies emergency planning resources and reduce the resources associated with emergency planning.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Free electron lasers driven by plasma accelerators: status and near-term prospects

Owing to their ultra-high accelerating gradients, combined with injection inside micrometer-scale accelerating wakefield buckets, plasma-based accelerators hold great potential to drive a new generation of free-electron lasers (FELs). Indeed, the first demonstration of plasma-driven FEL gain was reported recently, representing a major milestone for the field. Several groups around the world are pursuing these novel light sources, with methodology varying in the use of wakefield driver (laser-driven or beam-driven), plasma structure, phase-space manipulation, beamline design, and undulator technology, among others. This paper presents our best attempt to provide a comprehensive overview of the global community efforts towards plasma-based FEL research and development.

47 OTHER INSTRUMENTATION↗

CFM-ID 4.0 – a web server for accurate MS-based metabolite identification

The CFM-ID 4.0 web server (https://cfmid.wishartlab.com) is an online tool for predicting, annotating and interpreting tandem mass (MS/MS) spectra of small molecules. It is specifically designed to assist researchers pursuing studies in metabolomics, exposomics and analytical chemistry. More specifically, CFM-ID 4.0 supports the: 1) prediction of electrospray ionization quadrupole time-of-flight tandem mass spectra (ESI-QTOF-MS/MS) for small molecules over multiple collision energies (10 eV, 20 eV, and 40 eV); 2) annotation of ESI-QTOF-MS/MS spectra given the structure of the compound; and 3) identification of a small molecule that generated a given ESI-QTOF-MS/MS spectrum at one or more collision energies. The CFM-ID 4.0 web server makes use of a substantially improved MS fragmentation algorithm, a much larger database of experimental and in silico predicted MS/MS spectra and improved scoring methods to offer more accurate MS/MS spectral prediction and MS/MS-based compound identification. Compared to earlier versions of CFM-ID, this new version has an MS/MS spectral prediction performance that is ~22% better and a compound identification accuracy that is ~35% better on a standard (CASMI 2016) testing dataset. CFM-ID 4.0 also features a neutral loss function that allows users to identify similar or substituent compounds where no match can be found using CFM-ID’s regular MS/MS-to-compound identification utility. Finally, the CFM-ID 4.0 web server now offers a much more refined user interface that is easier to use, supports molecular formula identification (from MS/MS data), provides more interactively viewable data (including proposed fragment ion structures) and displays MS mirror plots for comparing predicted with observed MS/MS spectra. These improvements should make CFM-ID 4.0 much more useful to the community and should make small molecule identification much easier, faster, and more accurate.

59 BASIC BIOLOGICAL SCIENCES↗

The importance of geobotany in geological remote sensing applications

A description of the different effects of variations in ground cover vegetation on remote sensing data in geological and prospecting applications is presented. The different variations are divided into three categories: structural; taxonomic and spectral. Structural variations include changes in the physical appearance of ground cover which may be detectable by a remote sensing instrument. Taxonomic variations occur in those plant communities which are associated with specific geological regions. Spectral variations are due to specific geochemical stresses which may be useful in characterizing geological features at a site. The need for a general scheme for the interpretation of geobotanical remote sensing data is discussed: Geosat data for the field reflectance spectra of different tree species in West Virginia are presented as examples.

Mouat, D. A.↗

Resilience: Concepts and Measures

Inertia, the resistance of an ecosystem property to change under stress, is distinguished from resilience, which refers to the degree, manner. and pace of change or recovery in ecosystem properties following disturbance. In turn, these two terms are differentiated from 'stability'. which is used here to refer to the pattern of natural fluctuation in ecosystem properties in the absence of major exogenous disturbance. Four component attributes of resilience are reviewed in the context of Mediterranean-climate examples. The elasticity component concerns the rate of recovery of an ecosystem property following disturbance; amplitude, the threshold of stress beyond which recovery to the initial state does not occur; hysteresis, the degree to which the pattern of recovery after stress differs from that of deterioration under chronic stress, and malleability the ease with which the ecosystem can become permanently altered. Each ecosystem property will typically reveal a different level of resilience to a given stress and stressor. The degree of recovery should not be expected to be complete in any event, due to sample variability and stochastic events. In cyclicallystable ecosystems, the pattern of recovery should be measured in light of this periodicity, and short-term (within-cycle) recovery distinguished from long-term (between-cycle) recovery. The prediction of resilience properties of ecosystems can be approached through a knowledge of the modular structure of foodwebs, through knowledge of the autecological adaptations of key species to the stressor, or through cumulative experience of the response to disturbance at the community level. At present there is much room for investigation of each of these approaches in Mediterranean-climate ecosystems.

Westman, Walter E.↗

Efficient Reformulation of HOTFGM: Heat Conduction with Variable Thermal Conductivity

Functionally graded materials (FGMs) have become one of the major research topics in the mechanics of materials community during the past fifteen years. FGMs are heterogeneous materials, characterized by spatially variable microstructure, and thus spatially variable macroscopic properties, introduced to enhance material or structural performance. The spatially variable material properties make FGMs challenging to analyze. The review of the various techniques employed to analyze the thermodynamical response of FGMs reveals two distinct and fundamentally different computational strategies, called uncoupled macromechanical and coupled micromechanical approaches by some investigators. The uncoupled macromechanical approaches ignore the effect of microstructural gradation by employing specific spatial variations of material properties, which are either assumed or obtained by local homogenization, thereby resulting in erroneous results under certain circumstances. In contrast, the coupled approaches explicitly account for the micro-macrostructural interaction, albeit at a significantly higher computational cost. The higher-order theory for functionally graded materials (HOTFGM) developed by Aboudi et al. is representative of the coupled approach. However, despite its demonstrated utility in applications where micro-macrostructural coupling effects are important, the theory's full potential is yet to be realized because the original formulation of HOTFGM is computationally intensive. This, in turn, limits the size of problems that can be solved due to the large number of equations required to mimic realistic material microstructures. Therefore, a basis for an efficient reformulation of HOTFGM, referred to as user-friendly formulation, is developed herein, and subsequently employed in the construction of the efficient reformulation using the local/global conductivity matrix approach. In order to extend HOTFGM's range of applicability, spatially variable thermal conductivity capability at the local level is incorporated into the efficient reformulation. Analytical solutions to validate both the user-friendly and efficient reformulations am also developed. Volume discretization sensitivity and validation studies, as well as a practical application of the developed efficient reformulation are subsequently carried out. The presented results illustrate the accuracy and implementability of both the user-friendly formulation and the efficient reformulation of HOTFGM.

Zhong, Yi↗

Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations (Final progress report)

This is the final technical report for the DOE Atmospheric System Research funded project entitled "Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations". This project addressed several science questions related to the structure and behavior of deep convective clouds in the atmosphere. It applied knowledge gained from this work to improve the deep cumulus convection parameterization in the Community Earth System Model (CESM). Specific outcomes related to the project include an improved understanding of: (1) how convective cloud environments regulate the size of thermals reaching the upper troposphere, and hence the shallow-to-deep convective transition; (2) the role of dynamic pressure forcing in thermal and convective cloud evolution; and (3) the role of vertical wind shear on the behavior of moist thermals and the transition from shallow to deep convection. Although the primary motivation of this project was to improve basic understanding of thermal dynamics in atmospheric convection, an important component of this work was using this improved understanding to modify the representation of entrainment and vertical velocity profiles in the Zhang-McFarlane cumulus parameterization used in CESM. This work also had a strong observational component, with analyses of Atmospheric Radiation Measurement (ARM) observations to characterize thermal characteristics and behavior. Observations collected during the ARM-supported CACTI field project were used with high-resolution simulations to explore environmental controls on deep convection initiation. Data from the ARM-supported MC3E field project were also used to evaluate the representation of updraft vertical velocities in the Zhang-McFarlane cumulus parameterization. This project directly supported the training of two post-doctoral researchers and led to 16 peer-reviewed published papers.

54 ENVIRONMENTAL SCIENCES↗

Predicting Instability and the Effect of Wind Loading on Single-Axis Trackers

As PV modules continue to trend toward larger, thinner, and more flexible forms they grow more susceptible to damage from dynamic wind loading. As a result, understanding the impact of wind on PV systems, particularly when mounted on solar-tracking hardware, and identifying robust, stable array layouts and stow strategies is becoming increasingly important for the PV community. In our ongoing DuraMAT project, we are developing an open-source software package, PVade (PV aerodynamic design engineering), to simulate the cascading fluid-structure interaction that occurs within solar-tracking arrays to enable researchers to test hardware, layout, and tracker control changes, leading to enhanced stability and a reduction in wind-driven damage. We will give an overview of the PVade software, highlighting recent user-interface and algorithm developments, before presenting the latest outcomes from our ongoing validation campaign in which we analyze and compare with experimental data obtained from a DuraMAT 1 project. From there, we will present simulated results from a larger, multi-row array and highlight relationships between varying tracker angles and stability as measured by different experimentally validated metrics.

fluid structure interaction↗

Some practicable applications of quadtree data structures/representation in astronomy

Development of quadtree as hierarchical data structuring technique for representing spatial data (like points, regions, surfaces, lines, curves, volumes, etc.) has been motivated to a large extent by storage requirements of images, maps, and other multidimensional (spatially structured) data. For many spatial algorithms, time-efficiency of quadtrees in terms of execution may be as important as their space-efficiency concerning storage conditions. Briefly, the quadtree is a class of hierarchical data structures which is based on the recursive partition of a square region into quadrants and sub-quadrants until a predefined limit. Beyond the wide applicability of quadtrees in image processing, spatial information analysis, and building digital databases (processes becoming ordinary for the astronomical community), there may be numerous further applications in astronomy. Some of these practicable applications based on quadtree representation of astronomical data are presented and suggested for further considerations. Examples are shown for use of point as well as region quadtrees. Statistics of different leaf and non-leaf nodes (homogeneous and heterogeneous sub-quadrants respectively) at different levels may provide useful information on spatial structure of astronomical data in question. By altering the principle guiding the decomposition process, different types of spatial data may be focused on. Finally, a sampling method based on quadtree representation of an image is proposed which may prove to be efficient in the elaboration of sampling strategy in a region where observations were carried out previously either with different resolution or/and in different bands.

Pasztor, L.↗

Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models

Responses to challenges associated with verification and validation (V&V) of Space Launch System (SLS) structural dynamics models are presented in this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA), which has gained acceptance by various principals in the NASA community, defines efficient and accurate FEM modal sensitivity models that are useful in test-analysis correlation and reconciliation and parametric uncertainty studies. (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976), developed to remedy difficulties encountered with the widely used Classical Guyan Reduction (CGR) method, are presented. MGR and HR are particularly relevant for estimation of "body dominant" target modes of shell-type SLS assemblies that have numerous "body", "breathing" and local component constituents. Realities associated with configuration features and "imperfections" cause "body" and "breathing" mode characteristics to mix resulting in a lack of clarity in the understanding and correlation of FEM- and test-derived modal data. (3) Mode Consolidation (MC) is a newly introduced procedure designed to effectively "de-feature" FEM and experimental modes of detailed structural shell assemblies for unambiguous estimation of "body" dominant target modes. Finally, (4) Experimental Mode Verification (EMV) is a procedure that addresses ambiguities associated with experimental modal analysis of complex structural systems. Specifically, EMV directly separates well-defined modal data from spurious and poorly excited modal data employing newly introduced graphical and coherence metrics.

Coppolino, Robert N.↗

Vortical interactions in turbulent thermoacoustic systems

This study examines the dynamics of vortical interactions and their implications for mitigating thermoacoustic instability in a turbulent combustor. The regions of intense vortical interactions are identified as vortical communities in the network space of weighted directed vortical networks constructed from two-dimensional experimental velocity data. One can expect vortical interactions in the combustor to be strongest near the moment of vortex shedding, as the shed vortices gradually weaken due to dissipation while convecting downstream. However, we show that, during the state of thermoacoustic instability, there is a non-trivial consistent phase lag of approximately 52° between the shedding of the coherent structures from the backward-facing step and the time instant when the vortical interactions attain their local maximum value. We explain this phase lag by investigating the correlation between acoustic pressure fluctuations, spatio-temporal dynamics of coherent structures and vortical interactions in the reaction field of the combustor. We also show the aperiodic variation of vortical interactions during the states of combustion noise and aperiodic epochs of intermittency. Furthermore, the spatio-temporal evolution of pairs of vortical communities with the maximum inter-community interactions provides insight into explaining the critical regions detected in the reaction field during the states of intermittency and thermoacoustic instability, also identified in previous studies. As a result, we further show that the most efficient suppression of thermoacoustic instability via air microjet injection is achieved when steady air jets are introduced to disrupt the maximum inter-community interactions present during the state of thermoacoustic instability.

Sahay, Ankit [Indian Institute of Technology Madra↗

Organizational structure and operation of defense/aerospace information centers in the United States of America

U.S. Government aerospace and defense information centers are addressed. DTIC and NASA are described in terms of their history, operational authority, information services provided, user community, sources of information collected, efforts under way to improve services, and external agreements regarding the exchange of documents and/or data bases. Contents show how DTIC and NASA provide aerospace/defense information services in support of U.S. research and development efforts. In a general introduction, the importance of scientific and technical information and the need for information centers to acquire, handle, and disseminate it are stressed.

Sauter, H. E.↗

AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection

Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental testing and is widely used in drug discovery. While there has been progress in accelerating scoring of compounds with artificial intelligence, few works have bridged these successes back to the virtual screening community in terms of utility and forward-looking development. We demonstrate the power of high-speed ML models by scoring 1 billion molecules in under a day (50 k predictions per GPU seconds). We showcase a workflow for docking utilizing surrogate AI-based models as a pre-filter to a standard docking workflow. Our workflow is ten times faster at screening a library of compounds than the standard technique, with an error rate less than 0.01% of detecting the underlying best scoring 0.1% of compounds. Our analysis of the speedup explains that another order of magnitude speedup must come from model accuracy rather than computing speed. In order to drive another order of magnitude of acceleration, we share a benchmark dataset consisting of 200 million 3D complex structures and 2D structure scores across a consistent set of 13 million “in-stock” molecules over 15 receptors, or binding sites, across the SARS-CoV-2 proteome. We believe this is strong evidence for the community to begin focusing on improving the accuracy of surrogate models to improve the ability to screen massive compound libraries 100 × or even 1000 × faster than current techniques and reduce missing top hits. The technique outlined aims to be a fast drop-in replacement for docking for screening billion-scale molecular libraries.

59 BASIC BIOLOGICAL SCIENCES↗

MFA-DVR: direct volume rendering of MFA models

3D volume rendering is widely used to reveal insightful intrinsic patterns of volumetric datasets across many domains. However, the complex structures and varying scales of volumetric data can make efficiently generating high-quality volume rendering results a challenging task. Multivariate functional approximation (MFA) is a new data model that addresses some of the critical challenges: high-order evaluation of both value and derivative anywhere in the spatial domain, compact representation for large-scale volumetric data, and uniform representation of both structured and unstructured data. Here, in this paper, we present MFA-DVR, the first direct volume rendering pipeline utilizing the MFA model, for both structured and unstructured volumetric datasets. We demonstrate improved rendering quality using MFA-DVR on both synthetic and real datasets through a comparative study. We show that MFA-DVR not only generates more faithful volume rendering than using local filters but also performs faster on high-order interpolations on structured and unstructured datasets. MFA-DVR is implemented in the existing volume rendering pipeline of the Visualization Toolkit (VTK) to be accessible by the scientific visualization community.

97 MATHEMATICS AND COMPUTING↗

Phenomenological opportunities at the EIC

This review presents a comprehensive overview of key phenomenological opportunities at the future Electron–Ion Collider (EIC), synthesizing discussions and collaborative research efforts developed within the Korean EIC community and the EICφ collaboration. We explore a diverse range of physics topics central to the EIC scientific program, including the multidimensional tomography of nucleon and nuclear structure, precision Quantum Chromodynamics studies through jet physics and event-shape observables, heavy quarkonium production as a probe of partonic dynamics, and the spectroscopy of exotic hadrons. Furthermore, we discuss the transformative potential of emerging technologies—specifically Machine Learning and Quantum Computing—as essential tools for addressing the computational challenges and maximizing the scientific discovery potential of the EIC era.

Electron–Ion collider↗

Non-Abelian quasiparticles and topological superconductivity for the quantum information science

The research performed on this proposal lead to significant progress in understanding spectra of charge carrier holes in spin 3/2 valence bands in two-dimensional systems and topological phenomena in these systems; resulted in enhanced knowledge of topological excitations, such as Majorana fermions and parafermions in electron and hole systems; lead to new breakthroughs in understanding quantum Hall systems, which is an important breeding ground for topological excitations; contributed to understanding of several aspects of theory of spin-orbit interactions; and understanding of hybrid superconductor/semiconductor structures. Methods and techniques used or developed in the research were effective in achieving its results. Some of the developed methods have been used by the research community. The achieved results are beneficial for both theorists and experimentalists in condensed matter and related areas of research, developed knowledge is important for progress in quantum science and technology, and therefore is of benefit to the public.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

STARFIRE – Science and Technology Accelerated Research for Fusion Innovation and Reactor Engineering progress report

The STARFIRE hub leverages foundational science and technology (S&T) research and integrated plant modeling tools to advance Inertial Fusion Energy (IFE). S&T breakthroughs achieved in each thrust are incorporated into an integrated modeling tool to assess and prioritize remaining gaps to bridge for IFE to become viable. Scientific highlights span high-gain target design, diode-pumped solid-state lasers, and innovative target manufacturing. Key highlights include the investigation of shock propagation through various foam structures among other limiting factors of compression of IFE target, exploration of novel 3D printing techniques such as light-sheet additive manufacturing for 2-photon polymerization foams, and diode-pumped solid-state laser architectures required for several IFE approaches. In addition, the STARFIRE team has established two public-private working groups to address laser diode supply chain issues and test advanced laser diode configurations. Finally, a lite version of the integrated modeling tool has been developed to facilitate outreach and engage with private companies. STARFIRE’s management structure has been designed to ensure agile resource allocation, robust performance assessment, and alignment with the broader fusion energy mission. STARFIRE’s breakthroughs are disseminated to the community via reports, presentations, and publications, while agreements with private companies are set in place to protect proprietary information.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Telescience in orbit

A promising concept for the scientific use of the NASA Space Station involves attaching payloads to the dual keel truss structure of the manned base, specifically on the upper and lower booms. The lower boom will be primarily employed by the earth observation and space plasma studies community, while the upper boom will be used by astronomers for such instruments as the Solar Optical Telescope and the Astrometric Telescope Facility. The indispensability of a robust Space Shuttle system for these Space Station uses is noted.

Black, D. C.↗