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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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At least 109 records · Page 6

Addendum to "Testing meson portal dark sector solutions to the MiniBooNE anomaly at CCM"

In Aguilar-Arevalo et al. [Phys. Rev. D 109, 095017 (2024)], we explored various effective field theories that could explain the MiniBooNE excess involving long-lived particles produced from charged meson decays and the sensitivity of the Coherent CAPTAIN Mills experiment to these models. In this addendum, we extend the analysis to project sensitivity of upcoming MicroBooNE data to the long-lived particle models considered in the previous work. We find that a dedicated MicroBooNE analysis of the single photon final state with longer exposure and improved signal efficiency will be sensitive to these new physics explanations of the MiniBooNE excess, and could rule them out with a null observation at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Inter-Domain Fusion for Enhanced Intrusion Detection in Power Systems: An Evidence Theoretic and Meta-Heuristic Approach

False alerts due to misconfigured or compromised intrusion detection systems (IDS) in industrial control system (ICS) networks can lead to severe economic and operational damage. However, research using deep learning to reduce false alerts often requires the physical and cyber sensor data to be trustworthy. Implicit trust is a major problem for artificial intelligence or machine learning (AI/ML) in cyber-physical system (CPS) security, because when these solutions are most urgently needed is also when they are most at risk (e.g., during an attack). To address this, the Inter-Domain Evidence theoretic Approach for Inference (IDEA-I) is proposed that reframes the detection problem as how to make good decisions given uncertainty. Specifically, an evidence theoretic approach leveraging Dempster–Shafer (DS) combination rules and their variants is proposed for reducing false alerts. A multi-hypothesis mass function model is designed that leverages probability scores obtained from supervised-learning classifiers. Using this model, a location-cum-domain-based fusion framework is proposed to evaluate the detector’s performance using disjunctive, conjunctive, and cautious conjunctive rules. The approach is demonstrated in a cyber-physical power system testbed, and the classifiers are trained with datasets from Man-In-The-Middle attack emulation in a large-scale synthetic electric grid. For evaluating the performance, we consider plausibility, belief, pignistic, and general Bayesian theorem-based metrics as decision functions. To improve the performance, a multi-objective-based genetic algorithm is proposed for feature selection considering the decision metrics as the fitness function. Finally, we present a software application to evaluate the DS fusion approaches with different parameters and architectures.

42 ENGINEERING↗

A Closer Look at Tip-Enhanced Raman Chemical Reaction Nanoimages

Tip-enhanced Raman spectroscopy (TERS) is a powerful technique that enables ultrahigh spatial resolution and ultrasensitive chemical imaging. This technique’s ability to track plasmon-induced/enhanced chemical reactions in real space has gained increasing popularity in recent years. Here, in this study, we expose inherent difficulties associated with assigning TERS signatures that accompany chemical transformations. Namely, distinct selection rules as well as the possibility of multiple physical processes/chemical reaction pathways complicate spectral assignments and necessitate caution in assigning the experimental observables. We illustrate the latter using 4,4'-dimercaptostilbene-functionalized plasmonic silver nanocubes, wherein we identify the TERS signatures of product formation, molecular charging, multipolar Raman scattering, and preferred molecular orientations that all lead to distinct and assignable spectral patterns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Density functional study of relaxation of adsorbate vibration modes: Dominance of anharmonic interaction

Formulation and density functional workflow for calculating the lifetime of vibrational modes of molecular adsorbates on solid surfaces due to vibration–phonon coupling are presented. The anharmonic coupling is invoked to give the correct description of the origin of temperature dependence. Using pyrrolidine (C 4 H 9 N) absorbed on the Cu(001) surface as a concrete example, here we show that the anharmonic coupling can be one to two orders more significant than the harmonic interaction for the broadening of vibrational spectra, especially as temperature increases. These results challenge the common assumption that the anharmonic interaction is weak and call for attention of considering its effect in quantum relaxation and related problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Next-to-leading order scalar contributions to 𝜇→𝑒 conversion

Within a class of models in which lepton flavor violation is induced dominantly by scalar particle exchanges, we estimate the 𝜇→𝑒 conversion rate in several nuclei. We include next-to-leading order (NLO) terms in the one- and two-nucleon interactions in chiral effective theory, rectifying some incorrect results in the previous literature. We provide an uncertainty budget for the conversion rates and we find that NLO contributions affect the amplitudes at the level of 10%, which could be larger than the uncertainty on the leading order couplings, dominated by the strange and nonstrange nucleon sigma terms. We study the implications of our results for testing Higgs-mediated charged lepton flavor violation (CLFV) in the future by combining results from various experimental searches, such as 𝜇→𝑒 conversion in multiple target nuclei and 𝜇→𝑒⁢𝛾.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity of solar g-modes to varying G cosmologies

The sensitivity of the solar g-mode oscillation spectrum to variability in the universal gravitational constant G is described. Solar models in varying G cosmologies were constructed by evolving a zero-age main-sequence stellar model to the Sun's current age, while allowing the value of G to change according to the power law G(t) proportional to t(exp -beta), where Beta approximately equals delta G/GH and H is the Hubble constant. All solar models were constrained to the observed luminosity and radius at the current age of the Sun by adjusting the helium abundance and the mixing-length parameter of the models in the usual way for standard stellar models. Low-l g-mode oscillation periods were calculated for each of the models and compared to the claimed observation of the solar g-mode oscillation spectrum by Hill & Gu (1990). If one accepts Hill & Gu's claims, then within the uncertainties of the physics of the solar model calculation, our models rule out all but (delta G/GH) less than approximately 0.05. In other words, we conclude that G could not have varied by more than 2% over the past 4.5 Gyr, the lifetime of the present-day Sun. This result lends independent support to the validity of the standard solar model.

Guenther, D. B.↗

Learning the Task Management Space of an Aircraft Approach Model

Validating models of airspace operations is a particular challenge. These models are often aimed at finding and exploring safety violations, and aim to be accurate representations of real-world behavior. However, the rules governing the behavior are quite complex: nonlinear physics, operational modes, human behavior, and stochastic environmental concerns all determine the responses of the system. In this paper, we present a study on aircraft runway approaches as modeled in Georgia Tech's Work Models that Compute (WMC) simulation. We use a new learner, Genetic-Active Learning for Search-Based Software Engineering (GALE) to discover the Pareto frontiers defined by cognitive structures. These cognitive structures organize the prioritization and assignment of tasks of each pilot during approaches. We discuss the benefits of our approach, and also discuss future work necessary to enable uncertainty quantification.

Validation↗

Photoinduced charge transfer in Zn(II) and Au(III)-ligated symmetric and asymmetric bacteriochlorin dyads: A computational study

The excited-state properties and photoinduced charge-transfer (CT) kinetics in a series of symmetrical and asymmetrical Zn- and Au-ligated meso–meso-connected bacteriochlorin (BChl) complexes are studied computationally. BChl derivatives, which are excellent near-IR absorbing chromophores, are found to play a central role in bacterial photosynthetic reaction centers but are rarely used in artificial solar energy harvesting systems. The optical properties of chemically linked BChl complexes can be tuned by varying the linking group and involving different ligated metal ions. We investigate charge transfer in BChl dyads that are either directly linked or through a phenylene ring (1,4- phenylene) and which are ligating Zn or Au ions. The directly linked dyads with a nearly perpendicular arrangement of the BChl units bear markedly different properties than phenylene linked dyads. In addition, we find that the dielectric dependence of the intramolecular CT rate is very strong in neutral Zn-ligated dyads, whereas cationic Au-ligated dyads show negligible dielectric dependence of the CT rate. Rate constants of the photo induced CT process are calculated at the semiclassical Marcus level and are compared to fully quantum mechanical Fermi’s golden rule based values. The rates are calculated using a screened range separated hybrid functional that offers a consistent framework for addressing environment polarization. We study solvated systems in two solvents of a low and a high scalar dielectric constant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Algorithms for Non-Negative Matrix Factorization on Noisy Data With Negative Values

Non-negative matrix factorization (NMF) is a dimensionality reduction technique that has shown promise for analyzing noisy data, especially astronomical data. For these datasets, the observed data may contain negative values due to noise even when the true underlying physical signal is strictly positive. Prior NMF work has not treated negative data in a statistically consistent manner, which becomes problematic for low signal-to-noise data with many negative values. In this paper we present two algorithms, Shift-NMF and Nearly-NMF, that can handle both the noisiness of the input data and also any introduced negativity. Both of these algorithms use the negative data space without clipping or masking and recover non-negative signals without any introduced positive offset that occurs when clipping or masking negative data. We demonstrate this numerically on both simple and more realistic examples, and prove that both algorithms have monotonically decreasing update rules.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Evolution of the Space Station Freedom module pattern

A reanalysis of the evolution configuration module pattern for Space Station Freedom is presented. The module pattern is to consist of one habitation module, one airlock, one cupola, two Space Shuttle Orbiter pressurized docking adapters, one assured crew return vehicle, and one pressurized logistics module. Three laboratory modules are also included. A phased plan has been developed on the basis of utilization analysis being performed and derived through actual and projected user mission requirements for the growth of pressurized elements. The evolution requirement impacts to the module pattern are outlined. Application of the growth philosophy and the physical limitations resulted in a number of core element ground rules for module pattern growth. Nodes and modules are to be grown symmetrically in order to optimize poor flight control characteristics and maximize the capability for crew dual egress between elements. Core module pattern elements are not to be grown along Y-Y axis from nodes 1 or 2 due to physical clearance problems with the thermal control system radiators operational envelope.

Gould, Marston↗

Three-state harmonic models for photoinduced charge transfer

A widely used strategy for simulating the charge transfer between donor and acceptor electronic states in an all-atom anharmonic condensedphase system is based on invoking linear response theory to describe the system in terms of an effective spin-boson model Hamiltonian. Extending this strategy to photoinduced charge transfer processes requires also taking into consideration the ground electronic state in addition to the excited donor and acceptor electronic states. In this paper, we revisit the problem of describing such nonequilibrium processes in terms of an effective three-state harmonic model. We do so within the framework of nonequilibrium Fermi’s golden rule (NE-FGR) in the context of photoinduced charge transfer in the carotenoid–porphyrin–C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran (THF). To this end, we consider different ways for obtaining a three-state harmonic model from the equilibrium autocorrelation functions of the donor–acceptor, donor–ground, and acceptor–ground energy gaps, as obtained from all-atom molecular dynamics simulations of the CPC 60 /THF system. The quantum-mechanically exact time-dependent NE-FGR rate coefficients for two different charge transfer processes in two different triad conformations are then calculated using the effective three-state model Hamiltonians as well as a hierarchy of more approximate expressions that lead to the instantaneous Marcus theory limit. Our results show that the photoinduced charge transfer in CPC 60 /THF can be described accurately by the effective harmonic three-state models and that nuclear quantum effects are small in this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring the connection between compact object mergers and fast X-ray transients

Context. The connection between compact object mergers and some extragalactic fast X-ray transients (FXRTs) has long been hypothesised but never ultimately established. Aims. In this work, we investigate two FXRTs, the LEIA X-ray Transient LXT 240402A and the Einstein Probe EP 250207b, whose precise positions lie close to nearby (z ≲ 0.1) quiescent galaxies with a negligible probability of chance coincidence, identifying them as particularly promising cases of merger-driven explosions in the local Universe. Methods. We used Chandra to derive accurate localisations for both events and secure otherwise ambiguous associations with their optical counterparts. Deep optical and near-infrared observations with VLT, GTC, and LBT were performed to characterise the surrounding environment and search for kilonova emission, the hallmark of neutron star mergers. Complementary early-time X-ray monitoring with Swift and Einstein Probe was used to constrain the non-thermal afterglow. Results. We find that both FXRTs remain compatible with a compact binary merger progenitor, which produced low-mass ejecta and kilonova emission subdominant to the afterglow. However, alternative explanations such as a distant (z ≳ 1) core-collapse supernova cannot be conclusively ruled out.

79 ASTRONOMY AND ASTROPHYSICS↗

Design of quantum optical experiments with logic artificial intelligence

Logic Artificial Intelligence (AI) is a subfield of AI where variables can take two defined arguments, True or False, and are arranged in clauses that follow the rules of formal logic. Several problems that span from physical systems to mathematical conjectures can be encoded into these clauses and solved by checking their satisfiability (SAT). In contrast to machine learning approaches where the results can be approximations or local minima, Logic AI delivers formal and mathematically exact solutions to those problems. In this work, we propose the use of logic AI for the design of optical quantum experiments. We show how to map into a SAT problem the experimental preparation of an arbitrary quantum state and propose a logic-based algorithm, called Klaus, to find an interpretable representation of the photonic setup that generates it. We compare the performance of Klaus with the state-of-the-art algorithm for this purpose based on continuous optimization. We also combine both logic and numeric strategies to find that the use of logic AI significantly improves the resolution of this problem, paving the path to developing more formal-based approaches in the context of quantum physics experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exploration of the Theoretical Physical Capacity of the John F. Kennedy International Airport Runway System

A design study was completed to explore the theoretical physical capacity (TPC) of the John F. Kennedy International Airport (KJFK) runway system for a northflow configuration assuming impedance-free (to throughput) air traffic control functionality. Individual runways were modeled using an agent-based, airspace simulation tool, the Airspace Concept Evaluation System (ACES), with all runways conducting both departures and arrivals on a first-come first-served (FCFS) scheduling basis. A realistic future flight schedule was expanded to 3.5 times the traffic level of a selected baseline day, September 26, 2006, to provide a steady overdemand state for KJFK runways. Rules constraining departure and arrival operations were defined to reflect physical limits beyond which safe operations could no longer be assumed. Safety buffers to account for all sources of operational variability were not included in the TPC estimate. Visual approaches were assumed for all arrivals to minimize inter-arrival spacing. Parallel runway operations were assumed to be independent based on lateral spacing distances. Resulting time intervals between successive airport operations were primarily constrained by same-runway and then by intersecting-runway spacing requirements. The resulting physical runway capacity approximates a theoretical limit that cannot be exceeded without modifying runway interaction assumptions. Comparison with current KJFK operational limits for a north-flow runway configuration indicates a substantial throughput gap of approximately 48%. This gap may be further analyzed to determine which part may be feasibly bridged through the deployment of advanced systems and procedures, and which part cannot, because it is either impossible or not cost-effective to control. Advanced systems for bridging the throughput gap may be conceptualized and simulated using this same experimental setup to estimate the level of gap closure achieved.

Neitzke, Kurt W.↗

On the role of exchange of power and information signals in control and stability of the human-robot interaction

A human's ability to perform physical tasks is limited, not only by his intelligence, but by his physical strength. If, in an appropriate environment, a machine's mechanical power is closely integrated with a human arm's mechanical power under the control of the human intellect, the resulting system will be superior to a loosely integrated combination of a human and a fully automated robot. Therefore, we must develop a fundamental solution to the problem of 'extending' human mechanical power. The work presented here defines 'extenders' as a class of robot manipulators worn by humans to increase human mechanical strength, while the wearer's intellect remains the central control system for manipulating the extender. The human, in physical contact with the extender, exchanges power and information signals with the extender. The aim is to determine the fundamental building blocks of an intelligent controller, a controller which allows interaction between humans and a broad class of computer-controlled machines via simultaneous exchange of both power and information signals. The prevalent trend in automation has been to physically separate the human from the machine so the human must always send information signals via an intermediary device (e.g., joystick, pushbutton, light switch). Extenders, however are perfect examples of self-powered machines that are built and controlled for the optimal exchange of power and information signals with humans. The human wearing the extender is in physical contact with the machine, so power transfer is unavoidable and information signals from the human help to control the machine. Commands are transferred to the extender via the contact forces and the EMG signals between the wearer and the extender. The extender augments human motor ability without accepting any explicit commands: it accepts the EMG signals and the contact force between the person's arm and the extender, and the extender 'translates' them into a desired position. In this unique configuration, mechanical power transfer between the human and the extender occurs because the human is pushing against the extender. The extender transfers to the human's hand, in feedback fashion, a scaled-down version of the actual external load which the extender is manipulating. This natural feedback force on the human's hand allows him to 'feel' a modified version of the external forces on the extender. The information signals from the human (e.g., EMG signals) to the computer reflect human cognitive ability, and the power transfer between the human and the machine (e.g., physical interaction) reflects human physical ability. Thus the information transfer to the machine augments cognitive ability, and the power transfer augments motor ability. These two actions are coupled through the human cognitive/motor dynamic behavior. The goal is to derive the control rules for a class of computer-controlled machines that augment human physical and cognitive abilities in certain manipulative tasks.

Kazerooni, H.↗