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At least 577 records · Page 32

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DOE OSTI2025

Thermonuclear Burn in a Multiphysics Code on GPUs

Multiphysics codes links to a library called SINGE for the calculation of thermonuclear (TN) burn rates, but some current multiphysics codes do not attempt to leverage the support for parallel operation that SINGE provides. Our goal is to investigate implementations of the SINGE workflow and analyze how the use of a performance portability layer could reduce run time on CPU archi tectures while also supporting GPU architectures without requiring code modifications. We looked to the Kokkos C++ Performance Portability Ecosystem to implement hardware agnostic parallel patterns.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2005

Communications Blackout Prediction for Atmospheric Entry of Mars Science Laboratory

When a supersonic spacecraft enters a planetary atmosphere with v >> v(sub sound), a shock layer forms in the front of the body. An ionized sheath of plasma develops around the spacecraft, which results from the ionization of the atmospheric constituents as they are compressed and heated by the shock or heated within the boundary layer next to the surface. When the electron density surrounding the spacecraft becomes sufficiently high, communications can be disrupted (attenuation/blackout). During Mars Science Laboratory's (MSL's) atmospheric entry there will likely be a communication outage due to charged particles on the order of 60 to 100 seconds using a UHF link frequency looking out the shoulders of the wake region to orbiting relay asset. A UHF link looking out the base region would experience a shorter duration blackout, about 35 seconds for the stressed trajectory and possibly no blackout for the nominal trajectory. There is very little likelihood of a communications outage using X-band (however, X-band is not currently planned to be used during peak electron density phase of EDL).

entry descent landing↗

DOE OSTI2020

Heterogeneities at multiple length scales in 2D layered materials: From localized defects and dopants to mesoscopic heterostructures

Two-dimensional (2D) materials hold great promise for applications in optoelectronics, quantum information science, and energy conversion due to their remarkable properties imbued by their physical characteristics. Although heterogeneities in their intrinsic structure are the major challenges limiting their synthesis and predictable properties, they also provide a pathway to controllably tune the properties and broaden the potential of 2D materials. Heterogeneities that can be tailored, including defects, dopants, strain, edges, and layer stackings offer transformative opportunities in heterogeneous 2D materials through the introduction of novel properties for technological applications. This article provides a review of recent progress in studying heterogeneities in 2D materials. The review uses examples from our work to develop a strategy to understand the heterogeneities across multiple length scales to link the effect of heterogeneity at the nanoscale with the macroscale properties of 2D materials. We describe specific types of heterogeneities and explore novel synthesis and processing methods for their controlled production with example of the potential impact and applications enabled by their intriguing properties. Finally, we provide a perspective on how to extend the range of tunable properties through further engineering the heterogeneities in 2D materials.

2D materials↗

DOE OSTI2022

Twisting and Rippling of a Two-Dimensional Kagome Lattice: Silica on Au(111)

We report the intrinsic properties of two-dimensional (2D) SiO 2 were revealed by forming the material on inert Au(111). Growth by SiO deposition enabled formation of a crystalline phase consisting of two linked sheets of six-membered rings of tetrahedral [SiO 4 ] building units. The bases of the tetrahedra form an isostatic 2D kagome lattice. The weak interaction with Au allowed a new corrugation of the 2D material to be detected: ripples with a ~ 4 nm periodicity that help stabilize the 2D crystalline layer. On the atomic scale, substantial distortions from ideal hexagonal rings were observed even though crystalline defects were extremely rare. The ring distortions were reproduced in theoretical models that showed that they were associated with a twisting of the 2D kagome lattice, which stabilizes the material when subjected to disturbances. The twisting and rippling impart 2D silica with the flexibility to adapt to strain and changes in the crystallographic direction without introducing defects.

36 MATERIALS SCIENCE↗

NASA NTRS2002

A Comparative Study of Three Methodologies for Modeling Dynamic Stall

During the past two decades, there has been an increased reliance on the use of computational fluid dynamics methods for modeling rotors in high speed forward flight. Computational methods are being developed for modeling the shock induced loads on the advancing side, first-principles based modeling of the trailing wake evolution, and for retreating blade stall. The retreating blade dynamic stall problem has received particular attention, because the large variations in lift and pitching moments encountered in dynamic stall can lead to blade vibrations and pitch link fatigue. Restricting to aerodynamics, the numerical prediction of dynamic stall is still a complex and challenging CFD problem, that, even in two dimensions at low speed, gathers the major difficulties of aerodynamics, such as the grid resolution requirements for the viscous phenomena at leading-edge bubbles or in mixing-layers, the bias of the numerical viscosity, and the major difficulties of the physical modeling, such as the turbulence models, the transition models, whose both determinant influences, already present in static maximal-lift or stall computations, are emphasized by the dynamic aspect of the phenomena.

Sankar, L.↗

NASA NTRS2023

High-Rate Delay Tolerant Networking (HDTN) User Guide Version 1.0

Delay Tolerant Networking (DTN) has been identified as a key technology to enable and facilitate the development and growth of future space networks. Classically, space communications networks are collections of disparate links that are manually managed either point-to-point or use space relays. The accelerating accessibility of space enables a new scaling of space nodes, yet both the manual management of configurations and scheduling and the lack of structure connecting links precisely prohibit scaling. This challenge gives rise to newer and larger classes of communications needs that are met by DTN, which must overcome the disconnection, disruption, latency, and mobility featured in space communications systems. DTN joins the underlying links as an overlay, and can be made to communicate over any protocol stack. The core actions of DTN are store, carry, and forward, where data are stored instead of dropped if there is no immediately available outduct. It does this by taking the DTN unit of data, bundles, and providing necessary layers to adapt these bundles to the underlying transport protocols of choice; these are called convergence layers. DTN's Bundle Protocol (BP) can then be used on top of terrestrial protocol stacks, such as TCP/IP, as well as protocols for space, such as LTP/AOS, all in the same network. For emphasis it is noted that bundles can be of essentially any size, and hence this convergence to lower layers of choice is necessary. Existing DTN implementations have operated in constrained environments with limited resources, resulting in low data speeds. However, as various technologies have advanced, data transfer rates and efficiency have advanced, which has pushed the need for a DTN implementation for ground systems and for spacecraft that is performance-oriented in order to not impose an unnecessary bottleneck. High-rate Delay Tolerant Networking (HDTN) takes advantage of modern hardware platforms to substantially reduce latency and improve throughput compared to today’s DTN operations. The HDTN implementation maintains interoperability with existing deployments of DTN that conform to IETF RFCs 4838, 5050, and 9171. At the same time, HDTN defines a new data format better suited to higher-rate operation. It defines and adopts a massively parallel pipelined and message-oriented architecture, allowing the system to scale gracefully as its resources increase. HDTN’s architecture also supports hooks to replace various processing pipeline elements with specialized hardware accelerators. This offers improved Size, Weight, and Power (SWaP) characteristics while reducing development complexity and cost.

Delay Tolerant Networking↗

NASA NTRS2024

High-Rate Delay Tolerant Networking (HDTN) User Guide Version 1.3.0

Delay Tolerant Networking↗

NASA NTRS2017

Tropospheric Ozonesonde Profiles at Long-Term U.S. Monitoring Sites: 2. Links Between Trinidad Head, CA, Profile Clusters and Inland Surface Ozone Measurements

Much attention has been focused on the transport of ozone (O3) to the western U.S., particularly given the latest revision of the National Ambient Air Quality Standard to 70 parts per billion by volume (ppbv) of O3. This makes quantifying the contributions of stratosphere-to-troposphere exchange, local pollution, and pollution transport to this region essential. To evaluate free-tropospheric and surface O3 in the western U.S., we use self-organizing maps to cluster 18 years of ozonesonde profiles from Trinidad Head, CA. Three of nine O3 mixing ratio profile clusters exhibit thin laminae of high O3 above Trinidad Head. The high O3 layers are located between 1 and 6 km above mean sea level and reside above an inversion associated with a northern location of the Pacific subtropical high. Ancillary data (reanalyses, trajectories, and remotely sensed carbon monoxide) help identify the high O3 sources in one cluster, but distinguishing mixed influences on the elevated O3 in other clusters is difficult. Correlations between the elevated tropospheric O3 and surface O3 at high-altitude monitors at Lassen Volcanic and Yosemite National Parks, and Truckee, CA, are marked and long lasting. The temporal correlations likely result from a combination of transport of baseline O3 and covarying meteorological parameters. Days corresponding to the high O3 clusters exhibit hourly surface O3 anomalies of +5-10 ppbv compared to a climatology; the positive anomalies can last up to 3 days after the ozonesonde profile. The profile and surface O3 links demonstrate the importance of regular ozonesonde profiling at Trinidad Head.

STE↗

DOE OSTI2026

DTLMod: A simulation framework for in situ workflow optimization

In situ processing workflows have become essential for coping with the explosion in data volume and velocity in large-scale scientific computing, providing domain scientists with early insights at runtime. Multiple frameworks implement this paradigm through a data transport layer (DTL), offering different data access modes and deployment schemes, but researchers currently lack the appropriate tools to assess design and deployment options before committing to costly real experiments. We introduce DTLMod, an open-source simulated DTL that enables performance evaluation of in situ workflow configurations at scale. Built on SimGrid, it links into any SimGrid-based simulator and is available in C++ and Python. We evaluate DTLMod along four axes: scalability (tens of thousands of simulated processes across interconnected clusters in seconds, with linear memory scaling), versatility (three implementation variants trading fidelity for speed), accuracy (simulated times faithfully reflecting real behavior), and practical utility (two use cases demonstrating evidence-based workflow design decisions).

Suter, Fred [ORNL] (ORCID:0000000319021955)↗

DOE OSTI2020

How Bulk Sensitive is Hard X-ray Photoelectron Spectroscopy: Accounting for the Cathode–Electrolyte Interface when Addressing Oxygen Redox

Sensitivity to the `bulk' oxygen core orbital makes hard X-ray photoelectron spectroscopy (HAXPES) an appealing technique for studying oxygen redox candidates. Various studies have reported an additional O 1s peak (530-531 eV) at high voltages, which has been considered a direct signature of the bulk oxygen redox process. Here, we find the emergence of a 530.4 eV O 1s HAXPES peak for three model cathodes, Li 2 MnO 3 , Li-rich NMC, and NMC 442, that shows no clear link to oxygen redox. Instead, the 530.4 eV peak for these three systems is attributed to transition metal reduction and electrolyte decomposition in the near-surface region. Claims of oxygen redox relying on photoelectron spectroscopy must explicitly account for the surface sensitivity of this technique and the extent of the cathode degradation layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Chlamydomonas as a model for reactive oxygen species signaling and thiol redox regulation in the green lineage

While the maintenance of redox balance is important for all organisms, the energy balance in the chloroplast is particularly tightly linked to the overall cellular redox status in photosynthetic organisms. Excess light can cause overreduction of the photosynthetic electron transport chain, which, when unchecked, results in the generation of reactive oxygen species (ROS) that can oxidize cellular components including nucleic acids, proteins, and lipids (Li et al., 2009). A photosynthetic cell possesses multiple layers of defense against oxidative stress, such as antioxidant enzymes (Foyer and Noctor, 2005) and alternative electron transfer pathways (Alric and Johnson, 2017). At the same time, ROS can function as important signals that mediate responses to biotic and abiotic stresses (Apel and Hirt, 2004). Reversibly oxidizable small molecules and proteins can serve as ROS sinks and signals and are re-reduced by multiple mechanisms. For example, the ascorbate–glutathione (GSH) cycle is central in controlling ROS levels and regenerating/reducing oxidized cellular redox agents (Figure 1A; reviewed by Foyer and Noctor, 2011). The functions of many proteins can be regulated by the redox state of cysteine residues, such as the formation or reduction of disulfides by thioredoxins (TRX) (Buchanan, 1991) and glutaredoxins (Michelet et al., 2013b; Figure 1, B and C).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Fractional AC Josephson effect in a topological insulator proximitized by a self-formed superconductor

A lateral Josephson junction in which the surface of a 3D topological insulator serves as the weak link should support topologically protected excitations related to Majorana fermions. The resulting 4π-periodic current-phase relationship could be detected under high-frequency excitation by the suppression of odd Shapiro steps. Here, in this study, we demonstrate such devices through the self-formation of a Pd-Te superconducting layer from a telluride topological insulator, and observe suppressed first and third Shapiro steps. Other devices, including those where the Pd-Te layer is bolstered by an additional Al layer, show no suppression of Shapiro steps, a difference supported by simulations. Though we rule out the known trivial causes of suppressed Shapiro steps in our devices, we nevertheless argue that corroborating measurements and disorder-aware theoretical descriptions of these systems are needed before confidently claiming the observation of Majorana states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Recent progress in atomic-scale controlled plasma processing

Atomic-scale control in plasma processing is becoming increasingly critical for fabricating of advanced semiconductor devices, particularly as the industry shifts toward three-dimensional (3D) architectures and high-aspect-ratio (HAR) structures. This review presents a comprehensive overview of recent developments in atomic-scale controlled plasma processes, organized along two key directions: the hierarchical structure of plasma–surface interactions and the generational evolution of atomic layer processing (ALP) technologies. We examined the gas phase, where molecular design enables selective generation of ions and radicals; the boundary layer, where transport phenomena govern species delivery into nanoscale features, and the surface, where temperature-dependent reactions and cyclic processing determine etching selectivity and precision. Building on this foundation, we outline five generations of ALP—from thermal atomic layer deposition to transport-aware, temporally and structurally decoupled processes—highlighting the increasing sophistication of process control. The review further explores the transition from empirical recipe development to science-based, data-driven methodologies. By integrating quantum-chemical modeling, advanced diagnostics, and machine learning, we demonstrated how predictive models can link plasma species composition to process outcomes, enabling autonomous and adaptive control strategies. Finally, this review discusses the broader societal implications of plasma process innovation through the E4 quartet: energy and resource efficiency, environmental sustainability, evolutionary advancement, and educational promotion. These principles guide the development of sustainable and intelligent atomic-scale manufacturing technologies that are not only technically advanced but also socially responsible.

Ishikawa, Kenji [Nagoya Univ. (Japan)] (ORCID:0000↗

NASA NTRS2007

Interannual and Decadal Variability of Ocean Surface Latent Heat Flux as Seen from Passive Microwave Satellite Algorithms

Ocean surface turbulent fluxes are critical links in the climate system since they mediate energy exchange between the two fluid systems (ocean and atmosphere) whose combined heat transport determines the basic character of Earth's climate. Deriving physically-based latent and sensible heat fluxes from satellite is dependent on inferences of near surface moisture and temperature from coarser layer retrievals or satellite radiances. Uncertainties in these "retrievals" propagate through bulk aerodynamic algorithms, interacting as well with error properties of surface wind speed, also provided by satellite. By systematically evaluating an array of passive microwave satellite algorithms, the SEAFLUX project is providing improved understanding of these errors and finding pathways for reducing or eliminating them. In this study we focus on evaluating the interannual variability of several passive microwave-based estimates of latent heat flux starting from monthly mean gridded data. The algorithms considered range from those based essentially on SSM/I (e.g. HOAPS) to newer approaches that consider additional moisture information from SSM/T-2 or AMSU-B and lower tropospheric temperature data from AMSU-A. On interannual scales, variability arising from ENSO events and time-lagged responses of ocean turbulent and radiative fluxes in other ocean basins (as well as the extratropical Pacific) is widely recognized, but still not well quantified. Locally, these flux anomalies are of order 10-20 W/sq m and present a relevant "target" with which to verify algorithm performance in a climate context. On decadal time scales there is some evidence from reanalyses and remotely-sensed fluxes alike that tropical ocean-averaged latent heat fluxes have increased 5-10 W/sq m since the early 1990s. However, significant uncertainty surrounds this estimate. Our work addresses the origin of these uncertainties and provides statistics on time series of tropical ocean averages, regional space / time correlation analysis, and separation of contributions by variations in wind and near surface humidity deficit. Comparison to variations in reanalysis data sets is also provided for reference.

Robertson, Franklin R.↗

NASA NTRS2011

Space-Time Localization of Plasma Turbulence Using Multiple Spacecraft Radio Links

Space weather is described as the variability of solar wind plasma that can disturb satellites and systems and affect human space exploration. Accurate prediction requires information of the heliosphere inside the orbit of the Earth. However, for predictions using remote sensing, one needs not only plane-of-sky position but also range information the third spatial dimension to show the distance to the plasma disturbances and thus when they might propagate or co-rotate to create disturbances at the orbit of the Earth. Appropriately processed radio signals from spacecraft having communications lines-of-sight passing through the inner heliosphere can be used for this spacetime localization of plasma disturbances. The solar plasma has an electron density- and radio-wavelength-dependent index of refraction. An approximately monochromatic wave propagating through a thin layer of plasma turbulence causes a geometrical-optics phase shift proportional to the electron density at the point of passage, the radio wavelength, and the thickness of the layer. This phase shift is the same for a wave propagating either up or down through the layer at the point of passage. This attribute can be used for space-time localization of plasma irregularities. The transfer function of plasma irregularities to the observed time series depends on the Doppler tracking mode. When spacecraft observations are in the two-way mode (downlink radio signal phase-locked to an uplink radio transmission), plasma fluctuations have a two-pulse response in the Doppler. In the two-way mode, the Doppler time series y2(t) is the difference between the frequency of the downlink signal received and the frequency of a ground reference oscillator. A plasma blob localized at a distance x along the line of sight perturbs the phase on both the up and down link, giving rise to two events in the two-way tracking time series separated by a time lag depending the blob s distance from the Earth: T2-2x/c, where T2 is the two-way time-of-flight of radio waves to/from the spacecraft and c is the speed of light. In some tracking situations, more information is available. For example, with the 5-link Cassini radio system, the plasma contribution to the up and down links, y(sub up)(t) and y(sub dn)(t), can be computed separately. The times series y(sub up)(t) and y(sub dn)(t) respond to a localized plasma blob with one event in each time series. These events are also separated in time by T2-2x/c. By cross-correlating the up and down link Doppler time series, the time separation of the plasma events can be measured and hence the plasma blob s distance from the Earth determined. Since the plane-of-sky position is known, this technique allows localization of plasma events in time and three space dimensions.

Armstrong, John W.↗

DOE OSTI2024

Physical inconsistencies in the representation of the ocean heat-carbon nexus in simple climate models

The Ocean Heat-Carbon Nexus, linking ocean heat and carbon uptake, is crucial for understanding climate responses to cumulative carbon dioxide (CO 2 ) emissions and to net zero CO 2 emissions. It results from a suite of processes involving the exchange of heat and carbon across the sea-air interface as well as their storage below the mixed layer and redistribution by the ocean large-scale circulation. The Ocean Heat and Carbon Nexus is assumed to be consistently represented across two modelling platforms used in the latest IPCC assessments: the Earth System Models (ESMs) and the Simple Climate Models (SCMs). However, our research shows significant deficiencies in state-of-the-art SCMs in replicating the ocean heat-carbon nexus of ESMs due to a crude treatment of the ocean thermal and carbon cycle coupling. With one SCM, we show that a more realistic heat-to-carbon uptake ratio exacerbates the projected warming by 0.1 °C in low overshoot scenarios and up to 0.2 °C in high overshoot scenarios. It is therefore critical to explore how SCMs’ physical inconsistencies, such as the representation of the ocean heat-carbon nexus, can affect future warming projections used in climate assessments, not just by SCMs in Working Group 3 but also by ESMs in Working Group 1 via SCM-driven emission-to-concentration translation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Topology-Dependent Performance of Free-Space Photonic Quantum Networks Under Noise

Photonic quantum communication enables secure and high-fidelity information transfer beyond classical limits, with direct relevance to emerging quantum networks operating in free-space environments. While physical-layer models of depolarizing noise, Gamma–Gamma turbulence statistics, entanglement swapping, and decoy-state QKD security bounds are individually well established, prior work typically treats these components in isolation or under fixed network assumptions. In this work, we develop a unified topology-aware analytical framework that simultaneously integrates free-space optical link budgets, turbulence-induced visibility degradation, depolarizing qubit noise, multi-hop entanglement cascade dynamics, teleportation fidelity thresholds, CHSH nonlocality certification, and asymptotic decoy-state secret key rate bounds across star, mesh, and ring graph structures. Rather than introducing new physical channel models, we demonstrate that identical physical links exhibit fundamentally different end-to-end performance once embedded within different network topologies. Mesh architectures minimize visibility cascade through hop-count reduction but incur quadratic hardware scaling. Star topologies minimize link count but concentrate noise and synchronization overhead at the hub. Ring configurations offer linear hardware scaling with multiplicative fidelity degradation. The results establish topology as a first-order design parameter in near-term free-space quantum networks operating without full quantum repeater infrastructures. While motivated by distributed multi-agent architectures, the framework applies broadly to terrestrial, airborne, and satellite-assisted photonic quantum communication systems.

QKD↗

NASA NTRS1981

Synthesis of oligoguanylates on oligocytidylate templates

The influence of template length in the self-condensation of guanosine 5'-phosphorimidazole in the presence of oligocytidylate templates is investigated. Reactions were carried out with cyclic cytidine 2',3'-phosphate, oligo- or polyC, and radioactively labeled guanosine 5'-phosphorimidazolide in the presence of Zn(+2) or Pb(+2) catalyst; product yields were determined by paper chromatography, thin-layer chromatography, and high-performance liquid chromatography. In the absence of a catalytic metal or in the presence of Pb(+2), a significant template effect is observed starting with the cytidine dimer and increasing in yield up to the hexamer template. Oligomers longer than the template are observed, and are predominantly 2'-5' linked in the presence of Pb(+2) and of mixed linkages in the uncatalyzed reaction. With the zinc ion as the catalyst, the template effect is first observed with the pentamer and is maximal with the heptamer. Products are predominantly 3'-5', and only a small proportion of them are longer than the template. The importance of the demonstrated formation of molecules with up to 10 guanosine units from oligocytidines as short as the dimer on the primitive earth is noted.

Fakhrai, H.↗