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At least 1,495 records · Page 83

Model atmospheres with periodic shocks

The pulsation of a long-period variable star generates shock waves which dramatically affect the structure of the star's atmosphere and produce conditions that lead to rapid mass loss. Numerical modeling of atmospheres with periodic shocks is being pursued to study the processes involved and the evolutionary consequences for the stars. It is characteristic of these complex dynamical systems that most effects result from the interaction of various time-dependent processes.

Bowen, G. H.↗

Expert systems and imaging - NASA's start-up work in intelligent image management

The problem of image management for NASA's Space Shuttle program and the future role of expert systems are considered. The difficulties involved in the storage and retrieval of the estimated 100,000 color photographs used for verification of essential installation, test, and repair procedures for Space Shuttle prelaunch are discussed. It is noted that the collection, classification, storage, and retrieval of high-quality pictoral images is possible through the use of pixels and an expert systems-assisted relational data base management system. The development of a query by pictorial example process is discussed. The NASA Intelligent Interactive Visual Data Base Management Systems project is detailed. It aims to conduct a systems analysis of a large-scale traditional image processing operation, collect data on critical human performance factors in the areas of image creation, processing, classification, storage, and retreival, and validate the attributes identified through the creation and testing of prototype models.

Ragusa, James M.↗

Influence of Long-Range Forces on the Transition States and Dynamics of NaCl Ion-Pair Dissociation in Water

We study NaCl ion-pair dissociation in a dilute aqueous solution using computer simulations both for the full system with long-range Coulomb interactions and for a well-chosen reference system with short-range intermolecular interactions. Analyzing results using concepts from Local Molecular Field (LMF) theory and the recently proposed AI-based analysis tool “State predictive information bottleneck” (SPIB), we show that the system with short-range interactions can accurately reproduce the transition rate for the dissociation process, the dynamics for moving between the underlying metastable states, and the transition state ensemble. Contributions from long-range interactions can be largely neglected for these processes because long-range forces from the direct interionic Coulomb interactions are almost completely canceled (>90%) by those from solvent interactions over the length scale where the transition takes place. Thus, for this important monovalent ion-pair system, short-range forces alone are able to capture detailed consequences of the collective solvent motion, allowing the use of physically suggestive and computationally efficient short-range models for the dissociation event. Here, we believe that the framework here should be applicable to disentangling mechanisms for more complex processes such as multivalent ion disassociation, where previous work has suggested that long-range contributions may be more important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Biomass burning and marine aerosol processing over the southeast Atlantic Ocean: a TEM single-particle analysis

This study characterizes single-particle aerosol composition from filters collected during the ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES) and CLoud–Aerosol–Radiation Interaction and Forcing: Year 2017 (CLARIFY-2017) campaigns. In particular the study describes aged biomass burning aerosol (BBA), its interaction with the marine boundary layer and the influence of biomass burning (BB) air on marine aerosol. The study finds evidence of BBA influenced by marine boundary layer processing as well as sea salt influenced by BB air. Secondary chloride aerosols were observed in clean marine air as well as in BB-influenced air in the free troposphere. Higher-volatility organic aerosol appears to be associated with increased age of biomass burning plumes, and photolysis or oxidation may be a mechanism for the apparent increased volatility. Aqueous processing and interaction with the marine boundary layer air may be a mechanism for the presence of sodium on many aged potassium salts. By number, biomass burning potassium salts and modified sea salts are the most observed particles on filter samples. The most commonly observed BC coatings are inorganic salts. These results suggest that atmospheric processes such as photolysis, oxidation and cloud processing are key drivers in the elemental composition and morphology of aged BBA. Fresh BBA inorganic salt content, as it has an important role in the particles' ability to uptake water, may be a key driver in how aqueous processing and atmospheric aging proceed.

54 ENVIRONMENTAL SCIENCES↗

The Late Pliocene Eltanin Impact: Documentation From Sediment Core Analyses

The expeditions ANT-XII/4 (1995) and ANT-XVIII/5a (2001) of the RV POLARSTERN collected extensive bathymetric and seismic data sets as well as sediment cores from an area in the Bellingshausen Sea (eastern Pacific Southern Ocean) that allow the first comprehensive geoscientific documentation of an asteroid impact into a deep ocean (approx. 5 km) basin, named the Eltanin impact. Impact deposits have now been recovered from a total of more than 20 sediment cores collected in an area covering about 80,000 km2. Combined biomagnetostratigraphic dating places the impact event into the earliest Matuyama Chron, a period of enhanced climate variability. Sediment texture analyses and studies of sediment composition including grain size and microfossil distribution reveal the pattern of impact- related sediment disturbance and the sedimentary processes immediately following the impact event. The pattern is complicated by the San Martin Seamounts (approx. 57.5 S, 91 W), a large topographic elevation that rises up to 3000 m above the surrounding abyssal plain in the area affected by the Eltanin impact. The impact ripped up sediments as old as Eocene and probably Paleocene that have been redeposited in a chaotic assemblage. This is followed by a sequence sedimented from a turbulent flow at the sea floor, overprinted by fall-out of airborne meteoritic ejecta that settled trough the water column. Grain size distribution reveals the timing and interaction of the different sedimentary processes. The gathered estimate of ejecta mass deposited over the studied area, composed of shock-melted asteroidal material and unmelted meteorites including fragments up to 2.5 cm in diameter, point to an Eltanin asteroid larger than the 1 km in diameter size originally suggested as a minimum based on the ANT-XII/4 results. This places the energy released by the impact at the threshold of those considered to cause environmental disturbance at a global scale and it makes the impact a likely transport mechanism explaining the presence of extinct Cenozoic microfossils in the transantarctic Sirius Unit. Although a crater structure representing Eltanin ground zero has not been discovered, the distribution pattern of sediment disturbance and ejecta deposits now allows to better determine the central target area north of the San Martin Seamounts.

Gersonde, R.↗

Understanding the origin of Tabula Rasa-induced defects in n-type Cz c-Si: The case of nitrogen atmosphere

Phosphorus-doped Czochralski-grown silicon (Cz-Si) has been gaining market share in the large-scale manufacturing of high-efficiency silicon (Si)-based photovoltaic (PV) devices thanks to higher carrier lifetimes than their boron-doped counterpart. However, the fabrication of n-type Cz-Si based solar cells often requires process steps with much higher temperatures and longer times than p-type Silicon. Defect interaction with the high temperatures during such processes tend to be detrimental to the n-type Cz-Si carrier lifetime, therefore limiting the final device efficiency. Short thermal anneals before cell processing, known as Tabula Rasa (TR), have been proposed to mitigate the thermally induced lifetime degradation during n-type Cz-Si solar cell fabrication. This work thoroughly investigates the defects responsible for the lifetime degradation after TR in a N 2 atmosphere treatment. We use temperature-injection-dependent lifetime spectroscopy and the thickness variation method to decouple the effects of TR treatment in the bulk and the surface of the n-type Cz-Si wafers. Using the defect parameter contour mapping (DPCM), we identify the defect energy level (E t ) and the capture cross-section ratio (k) of the most likely process-induced defect, which aligns with previously proposed Si vacancy-associated defects. The DPCM reveals that these vacancy-associated defects have a shallow energy level E t - E v ~0.13 eV and very efficient electron capture cross section k~600. Unexpectedly, the bulk degradation due to vacancy defects in the volume of the wafer, is accompanied by a significant increase in the surface recombination as well. Through evaluating the surface recombination velocity temperature- and injection dependence, we show that after TR, at room temperature and for an injection level of 10 15 cm -3 , in a wafer passivated with a-Si:H(i) the surface recombination dominates the overall lifetime response. Here we hypothesize that the near surface vacancy-associated bulk defects play a role in lowering the electron diffusion current into the a-Si:H(i) from the c-Si(n) reducing the field-effect passivation.

14 SOLAR ENERGY↗

Energy Dependence Analysis of Neutrino-Nucleus Interactions in Scintillator for MINERvA

This thesis is on the intrinsic energy dependence in neutrino-nucleus interaction models, especially quasielastic scattering and 2p2h process, and the implications for understanding data from MINERvA, NOvA, and DUNE. Neutrino-nucleus interactions are modeled using fve structure functions, W1, W2, W3, W4 and W5, and each structure function contributes diferently to the energy dependence once it enters the cross-section calculations. The energy independent term in the calculations contains only W2 and the next lower order term (of the order 1/E) contains W3 also. In this thesis, we show that W2 is good enough to describe MINERvA data and energy dependence coming from the cross-section directly is small. However, W3 will be signifcant for lower energy experiments such as NOvA and DUNE (especially at and below the oscillation maximum). We have also developed a method to extract structure functions directly from MINERvA data though we find that systematic uncertainties present in the data are too big to successfully determine 1/E Term. In addition to this, we have applied muon angle cuts on MINERvA data and MC, which have their own energy dependent effects. An apparent energy dependent discrepancy comes from known shortcomings especially in the pion production model. Finally, because the energy dependence analysis has similarities to the low-$\nu$ method, we have evaluated discrepancies between the data and MC in light of diferent fux constraint techniques. The results suggest including MINERvA s low-$\nu$ method constraint is an improvement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

GETaLM: A generator for electron tagger and luminosity monitor for electron - proton and ion collisions

The study of elastic bremsstrahlung and electron tagging in electron-proton or ion collisions is gaining importance with the planned construction of several experimental facilities focused on deep-inelastic scattering (DIS) measurements. This paper describes a program which generates bremsstrahlung photons in electron-proton and electron-ion interactions as well as scattered electrons in bremsstrahlung processes and in a quasi-real photon approximation to the general DIS process. Here, the effects of electron beam divergence and the spread of the interaction vertex are implemented. The program can be used as an input to simulations of instrumentation for bremsstrahlung photon detection, luminosity measurements, electron tagging, and the determination of the cross sections of corresponding processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Unveiling the mechanism of surface corrugation formation on a quasi free-standing bi-layer graphene via experimental and modeling investigations

Extensive studies have been conducted to accomplish the controls over the formation of surface corrugations on chemical vapor deposited (CVD) graphene. However, the underlying mechanism of the surface corrugation formation on graphene remains elusive, due to the difficulty delineating the growth-induced surface corrugations from wrinkles formed during graphene transfer with the use of a supporting layer casted on top of the sample. Here, in this study, “quasi free-standing” graphene was realized using the weakly-interacting h-BN layer during a wet transfer process to study the surface corrugation formation on graphene. The weak interaction of graphene with the supporting h-BN layer allows for the growth-induced surface corrugations to be released, enabling the investigation of the primary mechanism for the graphene corrugation behavior during the transfer process. The experimental measurements of surface corrugations were conducted using atomic force microscopy (AFM) to reveal that surface corrugations are formed following the graphene’s crystallographic directions. Density functional theory calculations using the projector augmented-wave (PAW) method and Perdew-Burke-Ernzerhof (PBE) exchange correlation functional were also conducted for two models of “atomic-scale ripples” and “nanoscale wrinkles” and showed that all of them are formed along the crystallographic axis of graphene, which is in good agreement with the experimental observations.

36 MATERIALS SCIENCE↗

Affinity of LDR Organics to Cementitious Materials: Sorption and Leaching Tests

SRNL is working to identify and test the physiochemical interactions of organic contaminants of potential concern with minerals in grout/cementitious materials. Organic species may interact with cementitious minerals including slag, fly ash, cement, and other components/dopants like carbon in fly ash. The identification of such interactions will support the solidification process design, performance assessments for the chemicals of concern, and a proposed Resource Conservation and Recovery Act (RCRA) treatment variance specified for the Land Disposal Restriction (LDR) organics associated with Hanford tank waste. Inably expected to be present LDR organics associated with Hanford tank waste (RPP-RPT-63493, Rev 1a) was screened by functional groups, octanol-water partitioning coefficients, and detection frequency in Hanford tank waste samples. A subset of 10 compounds, spanning the identified properties, were tested using sorption and leachate tests. These compounds were subjected to traditional batch sorption tests and leaching tests on/from Cast Stone cementitious material with and without activated carbon (a potential organic adsorption additive). The interactions between organic compounds were observed in traditional batch sorption and modified Toxic Characteristic Leaching Procedure (TCLP) leachate tests for a surrogate Cast Stone material with and without an activated carbon addition. Specifically, phthalic acids (negatively charged) and 4-chloroaniline (polar) sorbed strongly to unmodified Cast Stone and a group of 3 phenolic compounds (2,4,6-Trichlorophenol, Pentachlorophenol, o-Cresol) were sorbed to and were retained by Cast Stone with a 1% activated carbon amendment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Land-Atmosphere Interactions: Successes, Problems and Prospects

After two decades of active research, a much better understanding of the broader role of biospheric processes on the local climate has emerged. A surface-albedo increase, particularly in desert border regions of the subtropics (as well as the deforested tropical regions), leads to a net surface energy deficit, which in turn leads to a relative sinking and reduced rainfall. On the other hand, studies of the influence of altered ratios of evapotranspiration and sensible fluxes, in situations where the net solar income is unchanged, show that evapotranspiration is a more desirable flux for increased precipitation and vitality of the biosphere. Besides providing water vapor and convective available potential energy (CAPE) to the lower troposphere, evapotranspiration helps in building larger CAPE before "turning on" the moist-convection. Larger CAPE in the lower troposphere enables convection to reach into the deeper atmosphere thereby heating the upper troposphere; indeed, moist-convection is also accompanied by the evaporation of falling precipitation that cools and moistens the lower atmosphere. While convective, as opposed to stratiform, precipitation reduces the fractional cloud cover; it also allows more solar radiation to reach the surface thereby invigorating surface fluxes. These, together with moist convection and associated downdrafts help to maintain the characteristic upper temperature limit(s) of the moist-land as well as oceanic regions. Regardless of the above understanding, several important problems continue to hinder the accurate simulation of a realistic land atmosphere interaction in a numerical model (both GCM and/or Meso-scale models). Among the unsolved problems are parameterization of sub-grid scale land processes that include small-scale variability of soil moisture, snow-cover and snow-physics, the biodiversity of the biosphere, orography, local drainage characteristics under natural conditions, and surface flow over the natural terrain. A well-known non-linear response of surface fluxes to these variations makes the problem of parameterizing land-atmosphere interaction processes hard-to-address and simulate, particularly in a GCM. In our presentation, we will discuss how orographic, snow-cover, and water table interactions can be included into a Simple Biosphere Model such as SiB/SSiB. Figure I shows how, in the Russian region, spring snowmelt affects the soil moisture profile. Corresponding figure 2 shows how interaction with the water table decreases the natural evapotranspiration in the Sahel region simulation. While these simulations need better validation with data, the simulations reveal that surface processes are sensitive to these parameterizations. With these developments, we continue to advance our understanding of the interaction of land with the atmosphere aloft, but the intrinsic variability of the newer parameters, e. g., hydraulic properties of the soil, diminish the positive influences of these advances on the improved climate simulation with GCMs.

Sud, Y. C.↗

Collisionless relativistic magnetic reconnection driven by electron vortices in laser-plasma interaction

Magnetic reconnection (MR) is a fundamental process in space and laboratory plasmas. The appearance of high power lasers opens a new way to investigate MR under the relativistic condition. In this paper, relativistic collisionless MR driven by two ultra-intense lasers and a pair of asymmetric targets is studied numerically via the kinetic simulations. The static magnetic fields produced by the electron vortex structures with opposite magnetic polarities approach each other driven by the magnetic pressure and the density gradient. The antiparallel magnetic fields annihilate accompanied with the topological variation and the corresponding magnetic field energy is being dissipated to the kinetic energy of the nonthermal charged particles. Besides the outflows along the current sheet, a fast particle bunch is accelerated perpendicularly contributed by the displacement current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extrusion compression molded critical rare earth free bonded permanent magnets

Samarium iron nitride (Sm-Fe-N) bonded magnets have emerged as promising candidates for various industrial applications due to their exceptional magnetic properties. Compounds with magnetic material 95 wt fraction (wt.%) (∼74 vol%) and 97 wt.% (∼81 vol%) of SmFeN in a polyamide (PA12) polymer binder are manufactured using a batch mixer followed by compression molding. A maximum energy product ( BH ) max of 186.21 kJ.m -3 (23.4 MGOe) is achieved in the 95 wt.% bonded magnets; 97 wt.% magnets had a ( BH ) max of 165.52 kJ.m -3 (20.8 MGOe). It is found that the degree of alignment (DoA) of 99 % is achieved in the 95 wt.% magnets, whereas the 97 wt.% magnets are limited to a DoA of 90 % respectively. The high DoA can be attributed to low particle-particle interaction during the post-magnetic field alignment process. Finally, this research provides a useful insight of binder-particle interactions at very high magnet weight fractions and their effect on magnetic strength and performance.

36 MATERIALS SCIENCE↗

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↗

The specification-based validation of reliable multicast protocol: Problem Report

Reliable Multicast Protocol (RMP) is a communication protocol that provides an atomic, totally ordered, reliable multicast service on top of unreliable IP multicasting. In this report, we develop formal models for RMP using existing automated verification systems, and perform validation on the formal RMP specifications. The validation analysis help identifies some minor specification and design problems. We also use the formal models of RMP to generate a test suite for conformance testing of the implementation. Throughout the process of RMP development, we follow an iterative, interactive approach that emphasizes concurrent and parallel progress of implementation and verification processes. Through this approach, we incorporate formal techniques into our development process, promote a common understanding for the protocol, increase the reliability of our software, and maintain high fidelity between the specifications of RMP and its implementation.

Wu, Yunqing↗

Development of physically transparent, predictive structure-performance relationships for rational design of multi-component catalytic materials. Final Report

Solid surfaces act as catalysts for many important chemical processes, including commodity chemicals production, energy conversion and pollution mitigation. The outcome of catalytic processes is mainly governed by interactions of adsorbates with active sites on the catalyst surface. These interactions can be dramatically affected by the changes in the local characteristics of the active site, which can be accomplished by an introduction of various promoters and poisons, or by alloying with other metal atoms. In fact, many commercial heterogeneous catalysts contain metal nanoparticles promoted by various additives. Our goal is to develop fundamental understanding about the impact of perturbations in the local geometry of a catalytic site on the local surface reactivity. These insights are crucial for a more systematic and rational catalyst design. The project aims to advance the field of catalysis by formulating reliable structure/performance relationships and utilizing these relationships to identify novel catalytic materials. Benefits for DOE and our society are in the development of fundamental theories that guide the process of discovery of energy-efficient and environmentally friendly heterogeneous catalysis.

36 MATERIALS SCIENCE↗

Nonequilibrium phonon tuning and mapping in few-layer graphene with infrared nanoscopy

Electron-phonon interactions are fundamentally important physical processes responsible for many key discoveries in condensed matter physics and material sciences. Herein, by exploiting the scattering-type scanning near-field optical microscope (s-SNOM) excited with a femtosecond infrared (IR) laser, we explored the strong coupling between IR phonons in few-layer graphene (FLG) with ultrahot electrons, which are heated up by the intense laser field enhanced by the s-SNOM tip. More specifically, we found that the intensity of the phonon resonance can be tuned systematically by varying the laser power that controls the electron temperature. Furthermore, the high spatial resolution of s-SNOM allows us to map the local phonon characteristics at sharp boundaries and nanostructures. Our results offer insights into the intriguing physics behind the electron-phonon interactions in nonequilibrium conditions and open a pathway for manipulating phonons with optical means.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗