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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 433 records · Page 24

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), the US data center for the global PDB archive and a founding member of the Worldwide Protein Data Bank partnership, serves tens of thousands of data depositors in the Americas and Oceania and makes 3D macromolecular structure data available at no charge and without restrictions to millions of RCSB.org users around the world, including >660 000 educators, students and members of the curious public using PDB101.RCSB.org. PDB data depositors include structural biologists using macromolecular crystallography, nuclear magnetic resonance spectroscopy, 3D electron microscopy and micro-electron diffraction. PDB data consumers accessing our web portals include researchers, educators and students studying fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. During the past 2 years, the research-focused RCSB PDB web portal (RCSB.org) has undergone a complete redesign, enabling improved searching with full Boolean operator logic and more facile access to PDB data integrated with >40 external biodata resources. New features and resources are described in detail using examples that showcase recently released structures of SARS-CoV-2 proteins and host cell proteins relevant to understanding and addressing the COVID-19 global pandemic.

59 BASIC BIOLOGICAL SCIENCES↗

Genome Sequence of the Chestnut Blight Fungus Cryphonectria parasitica EP155: A Fundamental Resource for an Archetypical Invasive Plant Pathogen

Cryphonectria parasitica is the causal agent of chestnut blight, a fungal disease that almost entirely eliminated mature American chestnut from North America over a 50-year period. Here, we formally report the genome of C. parasitica EP155 using a Sanger shotgun sequencing approach. After finishing and integration with simple-sequence repeat markers, the assembly was 43.8 Mb in 26 scaffolds (L 50 = 5; N 50 = 4.0Mb). Eight chromosomes are predicted: five scaffolds have two telomeres and six scaffolds have one telomere sequence. In total, 11,609 gene models were predicted, of which 85% show similarities to other proteins. Finally, this genome resource has already increased the utility of a fundamental plant pathogen experimental system through new understanding of the fungal vegetative incompatibility system, with significant implications for enhancing mycovirus-based biological control.

59 BASIC BIOLOGICAL SCIENCES↗

Fundamental limit of jet tagging

Identifying the origin of high-energy hadronic jets (jet tagging) has been a critical benchmark problem for machine learning in particle physics. Jets are ubiquitous at colliders and are complex objects that serve as prototypical examples of collections of particles to be categorized. Over the last decade, machine learning-based classifiers have replaced classical observables as the state of the art in jet tagging. Increasingly complex machine learning models are leading to increasingly more effective tagger performance. Our goal is to address the question of convergence—are we getting close to the fundamental limit on jet tagging or is there still potential for computational, statistical, and physical insights for further improvements? We address this question using state-of-the-art generative models to create a realistic, synthetic dataset with a known jet tagging optimum. Various state-of-the-art taggers are deployed on this dataset, showing that there is a significant gap between their performance and the optimum. Our dataset and software are made public to provide a benchmark task for future developments in jet tagging and other areas of particle physics.

Artificial intelligence↗

Photon routing in cavity QED: Beyond the fundamental limit of photon blockade

The most simple and seemingly straightforward application of the photon blockade effect, in which the transport of one photon prevents the transport of others, would be to separate two incoming indistinguishable photons to different output ports. We show that time-energy uncertainty relations inherently prevent this ideal situation when the blockade is implemented by a two-level system. The fundamental nature of this limit is revealed in the fact that photon blockade in the strong coupling regime of cavity QED, resulting from the nonlinearity of the Jaynes-Cummings energy level structure, exhibits efficiency and temporal behavior identical to those of photon blockade in the bad cavity regime, where the underlying nonlinearity is that of the atom itself. We demonstrate that this limit can be exceeded, yet not avoided, by exploiting time-energy entanglement between the incident photons. Finally, we show how this limit can be circumvented completely by using a three-level atom coupled to a single-sided cavity, enabling an ideal and robust photon routing mechanism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fundamentals of metasurface lasers based on resonant dark states

Recently, our group proposed a metamaterial laser design based on explicitly coupled dark resonant states in low-loss dielectrics, which conceptually separates the gain-coupled resonant photonic state responsible for macroscopic stimulated emission from the coupling to specific free-space propagating modes, allowing independent adjustment of the lasing state and its coherent radiation output. Due to this functionality, it is now possible to make lasers that can overcome the trade-off between system dimensions and Q factor, especially for surface emitting lasers with deeply subwavelength thickness. In this paper, we give a detailed discussion of the key functionality and benefits of this design, such as radiation damping tunability, directionality, subwavelength integration, and simple layer-by-layer fabrication. Finally, we examine in detail the fundamental design tradeoffs that establish the principle of operation and must be taken into account and give guidance for realistic implementations.

36 MATERIALS SCIENCE↗

Flavor patterns of fundamental particles from quantum entanglement?

The Cabibbo-Kobayashi-Maskawa (CKM) matrix, which controls flavor mixing between the three generations of quark fermions, is a key input to the standard model of particle physics. In this paper, we identify a surprising connection between quantum entanglement and the degree of quark mixing. Focusing on a specific limit of 2 → 2 quark scattering mediated by electroweak bosons, we find that the quantum entanglement generated by scattering is minimized when the CKM matrix is almost (but not exactly) diagonal, in qualitative agreement with observation. With the discovery of neutrino masses and mixings, additional angles are needed to parametrize the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix in the lepton sector. Applying the same logic, we find that quantum entanglement is minimized when the PMNS matrix features two large angles and a smaller one, again in qualitative agreement with observation, plus a hint for suppressed C P violation. We speculate on the (unlikely but tantalizing) possibility that minimization of quantum entanglement might be a fundamental principle that determines particle physics input parameters. Published by the American Physical Society 2025

Thaler, Jesse (ORCID:0000000224068160)↗

Constraints on the Fundamental String Coupling from B-Mode Experiments

We study signatures of cosmic superstring networks containing strings of multiple tensions and Y junctions, on the cosmic microwave background (CMB) temperature and polarization spectra. Focusing on the crucial role of the string coupling constant g{sub s}, we show that the number density and energy density of the scaling network are dominated by different types of string in the g{sub s}{approx}1 and g{sub s}<<1 limits. This can lead to an observable shift in the position of the B-mode peak--a distinct signal leading to a direct constraint on g{sub s}. We forecast the joint bounds on g{sub s} and the fundamental string tension {mu}{sub F} from upcoming and future CMB polarization experiments, as well as the signal to noise in detecting the difference between B-mode signals in the limiting cases of large and small g{sub s}. We show that such a detectable shift is within reach of planned experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fundamental Principles for Calculating Charged Defect Ionization Energies in Ultrathin Two-Dimensional Materials

Defects in two-dimensional (2D) materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are difficult to simulate with conventional first-principles methods, mainly because of the weak and anisotropic dielectric screening caused by the reduced dimensionality. We establish fundamental principles for accurate and efficient calculations of charged defect ionization energies and electronic structure in ultrathin 2D materials. We propose to use the vacuum level as the reference for defect charge transition levels (CTLs) because it gives robust results insensitive to the level of theory, unlike commonly used band-edge positions. Furthermore, we determine the fraction of Fock exchange in hybrid functionals for accurate band gaps and band-edge positions of 2D materials by enforcing the generalized Koopmans’ condition of localized defect states. We found that the obtained fractions of Fock exchange vary significantly from 0.2 for bulk hexagonal boron nitride (h-BN) to 0.4 for monolayer h-BN, whose band gaps are also in good agreement with experimental results and calculated GW results. The combination of these methods allows for the reliable and efficient prediction of defect ionization energies (the difference between CTLs and band-edge positions). We motivate and generalize these findings with several examples including different defects in monolayer to few-layer h-BN, monolayer MoS 2 , and graphane. Lastly, we show that increasing the number of layers of h-BN systematically lowers defectionization energies, mainly through CTLs shifting towards vacuum, with conduction band minima kept almost unchanged.

36 MATERIALS SCIENCE↗

Understanding the fundamental driver of semiconductor radiation tolerance with experiment and theory

Space is the operating environment of a multitude of systems that our society is heavily reliant on today, however, maintaining operability there necessitates special consideration of the electronic systems' tolerance of space radiation. Electronic systems are critically dependent on the electronic properties of their semiconductor components, which are modified by space radiation with an adverse impact on the space system performance. What innate property allows some semiconductors to sustain little damage while others accumulate defects rapidly with dose is poorly understood, which limits the extent to which radiation tolerance can be implemented as a design criterion. Here, to gain insight into what properties are drivers of semiconductor radiation tolerance, the first step is to generate a dataset of the relative radiation tolerance of a broad sampling of semiconductors. To accomplish this, Rutherford backscatter channeling experiments are used to compare the displaced lattice atom buildup in InAs, InP, GaP, GaN, ZnO, MgO, and Si as a function of stepwise alpha particle dose. With this experimental information on radiation-induced incorporation of interstitial defects in hand, hybrid density functional theory electron densities (and their derived quantities) are calculated and their gradient and Laplacian are evaluated to obtain key fundamental information about the interactions in each material. It is shown that simple, undifferentiated values (which are typically used to describe bond strength) are insufficient to predict radiation tolerance. Instead, the curvature of the electron density at bond critical points provides a measure of radiation tolerance consistent with the experimental results obtained. This curvature and associated forces surrounding bond critical points have the potential to disfavor the localization of displaced lattice atoms at these points, favoring their diffusion toward perfect lattice positions. With this criterion to predict radiation tolerance, simple density functional theory simulations can be conducted on potential new materials to gain insight into how they may operate in demanding high radiation environments.

36 MATERIALS SCIENCE↗

Fundamental limits to the generation of highly displaced bright squeezed light using linear optics and parametric amplifiers

High-quality squeezed light is an important resource for a variety of applications. Multiple methods for generating squeezed light are known, having been demonstrated theoretically and experimentally. However, the effectiveness of these methods—in particular, the inherent limitations to the signals that can be produced—has received little consideration. Here we present a comparative theoretical analysis for generating a highly displaced squeezed light from a linear optical method—a beamsplitter mixing a squeezed vacuum and a strong coherent state—and well-studied parametric amplification methods including an optical parametric oscillator, an optical parametric amplifier, and a dissipative optomechanical squeezer seeded with coherent states. We show that the quality of highly displaced squeezed states that can be generated using these methods is limited on a fundamental level by the physical mechanism utilized; across all methods there are significant trade-offs between displacement, squeezing, and overall uncertainty. We explore the nature and extent of these trade-offs specific to each mechanism and identify the optimal operation modes for each. Finally, we identify the conditions for minimum-uncertainty squeezing in arbitrary parametric amplifying systems and show that displacing the output signal will in general violate these conditions, adding noise and degrading squeezing. Published by the American Physical Society 2025

Young, Steve M. (ORCID:0000000173839366)↗

Crystal Growth for Beginners. Fundamentals of Nucleation, Crystal Growth and Epitaxy , 3rd edition . Edited by Ivan V Markov. World Scientific, 2017. Pp. 632. Hardback. Price GBP 123.00. ISBN 978-981-3143-42-5

Crystal growth is a classical discipline lying at the interfaces of Physics, Chemistry, Materials Science and Medicine. The research field has enjoyed an increasing number of young investigators over the past couple of decades, largely due to the burgeoning fields of nanoscience and nanotechnology which aim to fabricate nano-devices and/or to deliver nano-medicines in a process that mimics the exquisite wisdom of biologically controlled crystals. The interdisciplinary nature of these fields has posed a request for introductory monographs on the fundamental concepts of crystallization that are suitable for the diverse scientific backgrounds of researchers new to the field. Among many of the introductory crystal growth books, the Crystal Growth for Beginners (3rd edition) by Ivan Markov is an excellent one that can serve the purpose and is worth reading.

36 MATERIALS SCIENCE↗

Fundamental Studies of Adhesion of Dust to PV Module Surfaces: Chemical and Physical Relationships at the Microscale

Photovoltaic (PV) module soiling is a growing area of concern for performance and reliability. This paper provides evaluations of the fundamental interactions of dust/soiling particles with several PV module surfaces. The purpose is to investigate the basic mechanisms involving the chemistry, morphology, and resulting particle adhesion to the first photon-incident surface. The evaluation and mapping of the chemistry and composition of single dust particles collected from operating PV module surfaces are presented. The first correlated direct measurements of the adhesive force of individual grains from field-operating collectors on identical PV module glass are reported, including correlations with specific compositions. Special microscale atomic force microscopy techniques are adapted to determine the force between the particle and the module glass surface. Results are presented for samples under dry and moisture-exposed conditions, confirming the effects of cementation for surfaces having soluble mineral and/or organic concentrations. Additionally, the effects of hydrocarbon fuels on the enhanced bonding of soiling particles to surfaces are determined for samples from urban and highly trafficked regions. Comparisons between glass and dust-mitigating superhydrophobic and superhydrophilic coatings are presented. Potential limitations of this proximal probe technique are discussed in terms of results and initial proof-of-concept experiments.

14 SOLAR ENERGY↗

Penetration Through Slots in Cylindrical Cavities Operating at Fundamental Cavity Modes

In this article, we examine the coupling into an electrically short azimuthal slot on a cylindrical cavity operating at fundamental cavity modal frequencies. We first develop a matched bound formulation through which we can gather information for maximum achievable levels of interior cavity fields. Actual field levels are below this matched bound; therefore, we also develop an unmatched formulation for frequencies below the slot resonance to achieve a better insight on the physics of this coupling. Good agreement is observed between the unmatched formulation, full-wave simulations, and experimental data, providing a validation of our analytical models. We then extend the unmatched formulation to treat an array of slots, found again in good agreement with full-wave simulations. These analytical models can be used to investigate ways to mitigate electromagnetic interference and electromagnetic compatibility effects within cavities.

42 ENGINEERING↗

Fundamental-Frequency Reactive Circulating Current Injection for Capacitor Voltage Balancing in Hybrid-MMC HVDC Systems During Riding Through PTG Faults

Here, this article presents a comprehensive analysis and a novel solution for the discharge problem on the half-bridge submodules' (HBSMs') capacitors in the hybrid modular multilevel converter (MMC)-based high-voltage direct current transmission systems under a long-term (e.g., several minutes or longer) pole-to-ground fault condition. The mechanism of this issue is analyzed, and then a solution based on fundamental-frequency reactive circulating current (FFRCC) injection is proposed. The influence of FFRCC injection is analyzed in terms of the fluctuated arm capacitor energy and the current stress of semiconductors. Moreover, an enhanced arm voltage modulation method based on HBSMs and full-bridge submodules coordinate control is proposed to accelerate the capacitor voltage balance of HBSMs. Finally, the performance of the proposed control strategy is verified by the simulation results.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Fire as a fundamental ecological process: Research advances and frontiers

Fire is a powerful ecological and evolutionary force that regulates organismal traits, population sizes, species interactions, community composition, carbon and nutrient cycling and ecosystem function. It also presents a rapidly growing societal challenge, due to both increasingly destructive wildfires and fire exclusion in fire–dependent ecosystems. As an ecological process, fire integrates complex feedbacks among biological, social and geophysical processes, requiring coordination across several fields and scales of study. Here, we describe the diversity of ways in which fire operates as a fundamental ecological and evolutionary process on Earth. We explore research priorities in six categories of fire ecology: (a) characteristics of fire regimes, (b) changing fire regimes, (c) fire effects on above–ground ecology, (d) fire effects on below–ground ecology, (e) fire behaviour and (f) fire ecology modelling. We identify three emergent themes: the need to study fire across temporal scales, to assess the mechanisms underlying a variety of ecological feedbacks involving fire and to improve representation of fire in a range of modelling contexts. As fire regimes and our relationships with fire continue to change, prioritizing these research areas will facilitate understanding of the ecological causes and consequences of future fires and rethinking fire management alternatives.

54 ENVIRONMENTAL SCIENCES↗

Fundamental study on mitigation of rocking motion of a cask system by a gyro system

In Japan, ensuring the structural integrity of cask systems during seismic events is becoming increasingly important. Cask systems, which are free-standing cylindrical structures that contain spent fuel assemblies, are believed to exhibit rocking motions under strong seismic excitations. Thus far, analytical studies conducted by the authors have indicated that cask systems subjected to strong seismic motions, undergo large rocking motions, and, in the worst case, may overturn and collapse. Therefore, reducing the rocking motions of casks to avoid overturning and consequent contamination of radioactive substances is critical. To suppress rocking motions for heavy free-standing structures such as cask systems, we propose a rocking motion suppression system that employs a gyro system. This system is installed in the free-standing structure. A previous analytical study showed that this system largely mitigates rocking motion. In the present study, we fabricated a fundamental cask system model and a gyro system. By using the cask system model without a gyro system, free vibration tests and shaking table tests were conducted to understand the basic characteristics of rocking motion and responses under base excitations. Analyses were also conducted to confirm the validity of the analytical model for rocking motion comparing with the experimental data. Moreover, analyses for the cask system with the gyro system were conducted. From these results, we evaluated the ability of the gyro system to mitigate rocking motion. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Building better microbatteries: from fundamental research to manufacturing

The Endangered Species Act requires actions that improve the passage and survival rates for migrating salmonoids and other fish species that sustain injury and mortality when passing through hydroelectric dams. To develop a low-cost revolutionary acoustic transmitter that may be injected instead of surgically implanted into the fish, one major challenge that needs to be addressed is the micro-battery power source. This work focuses on the design and fabrication of micro-batteries for injectable fish tags. High pulse current and required service life have both been achieved as well as doubling the gravimetric energy density of the battery. The newly designed micro-batteries have intrinsically low impedance, leading to significantly improved electrochemical performances at low temperatures as compared with commercial SR416 batteries. Successful field trial by using the micro-battery powered transmitters injected into fish has been demonstrated, providing an exemplary model of transferring fundamental research into practical devices with controlled qualities.

25 ENERGY STORAGE↗

Spectral analysis of fundamental signal and noise performances in photoconductors for mammography

Purpose: This study investigates the fundamental signal and noise performance limitations imposed by the stochastic nature of x-ray interactions in selected photoconductor materials, such as Si, a-Se, CdZnTe, HgI{sub 2}, PbI{sub 2}, PbO, and TlBr, for x-ray spectra typically used in mammography. Methods: It is shown how Monte Carlo simulations can be combined with a cascaded model to determine the absorbed energy distribution for each combination of photoconductor and x-ray spectrum. The model is used to determine the quantum efficiency, mean energy absorption per interaction, Swank noise factor, secondary quantum noise, and zero-frequency detective quantum efficiency (DQE). Results: The quantum efficiency of materials with higher atomic number and density demonstrates a larger dependence on convertor thickness than those with lower atomic number and density with the exception of a-Se. The mean deposited energy increases with increasing average energy of the incident x-ray spectrum. HgI{sub 2}, PbI{sub 2}, and CdZnTe demonstrate the largest increase in deposited energy with increasing mass loading and a-Se and Si the smallest. The best DQE performances are achieved with PbO and TlBr. For mass loading greater than 100 mg cm{sup -2}, a-Se, HgI{sub 2}, and PbI{sub 2} provide similar DQE values to PbO and TlBr. Conclusions: The quantum absorption efficiency, average deposited energy per interacting x-ray, Swank noise factor, and detective quantum efficiency are tabulated by means of graphs which may help with the design and selection of materials for photoconductor-based mammography detectors. Neglecting the electrical characteristics of photoconductor materials and taking into account only x-ray interactions, it is concluded that PbO shows the strongest signal-to-noise ratio performance of the materials investigated in this study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗