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At least 649 records · Page 36

First principles investigation of Ti adsorption and migration on Si(100) surfaces

The titanium adsorption on Si(100) is investigated using first principles computer modelling methods. Two new subsurface adsorption sites are described. They are located at the edge of the cavity topped by a surface silicon dimer. The migration of the titanium from the surface to the subsurface sites is facilitated when occurring via one of these sites. The ejection of one of the silicon atoms forming the surface dimer is also investigated. The actual step of the ejection requires more energy than previously thought although, when considering the global picture of a titanium atom on the surface leading to the ejection of a silicon atom, the overall rate is compensated by the facilitated migration of the titanium to the subsurface sites. The consecutive adsorption of a second and third titanium atom is also investigated. It is shown that titanium grows evenly on the surface in normal condition, showing no intermixing of the titanium and silicon beyond the silicon layer.

36 MATERIALS SCIENCE↗

Reversible migration of silver on memorized pathways in Ag-Ge{sub 40}S{sub 60} films

Reversible and reproducible formation and dissolution of silver conductive filaments are studied in Ag-photodoped thin-film Ge{sub 40}S{sub 60} subjected to electric fields. A tip-planar geometry is employed, where a conductive-atomic-force microscopy tip is the tip electrode and a silver patch is the planar electrode. We highlight an inherent “memory” effect in the amorphous chalcogenide solid-state electrolyte, in which particular silver-ion migration pathways are preserved “memorized” during writing and erasing cycles. The “memorized” pathways reflect structural changes in the photodoped chalcogenide film. Structural changes due to silver photodoping, and electrically-induced structural changes arising from silver migration, are elucidated using Raman spectroscopy. Conductive filament formation, dissolution, and electron (reduction) efficiency in a lateral device geometry are related to operation of the nano-ionic Programmable Metallization Cell memory and to newly emerging chalcogenide-based lateral geometry MEMS technologies. The methods in this work can also be used for qualitative multi-parameter sampling of metal/amorphous-chalcogenide combinations, characterizing the growth/dissolution rates, retention and endurance of fractal conductive filaments, with the aim of optimizing devices.

36 MATERIALS SCIENCE↗

Surface bypass as a means of protecting downstream-migrating fish: lack of standardised evaluation criteria complicates evaluation of efficacy

A surface bypass is a downstream migration structure that can help reduce hydropower-induced damage to migrating fish. We reviewed results of laboratory and field studies conducted in North America, Europe, and Australia between 1982 and 2017 concerning surface bypass efficacy. The main challenges in designing efficient surface bypasses were identified to be the simultaneous consideration of hydraulic and geometrical parameters and biological knowledge of fish behavior. Without the combined efforts of engineers and biologists, an efficient bypass design cannot be achieved. Moreover, the use of different criteria for evaluating bypass performance prevents direct comparison of the results of studies and deduction of design criteria. Bypass efficiency is a term that is widely used, but no standard definition of the term exists. Its definition can thus vary among studies. Two groups of definitions were identified: One group uses only those fish that approach or pass the dam whereas the other group includes all marked or tagged fish that are released upstream of a dam regardless of their fate after release. Within these groups, the definitions of bypass efficiency are comparable. Based on this concept, the efficiencies for different fish species at surface bypasses were identified: eels (11% // 10%), Pacific salmon (46% // 19%), steelhead and brown trout (49% // 41%), and Atlantic salmon (72% // 48%). Currently it is not possible to formulate design criteria for a wide range of species because available data are insufficient data. We recommend that in future bypass studies, more comparable standards and performance criteria should be used and both successes and failures should be reported.

Klopries, Elena-Maria↗

Can increasing the size and flexibility of a molecule reduce decoherence and prolong charge migration?

Coherent superposition of electronic states, created by ionizing a molecule, can initiate ultrafast dynamics of the electron density. Correlation between nuclear and electron motions, however, typically dissipates the electronic coherence in only a few femtoseconds, especially in larger and more flexible molecules. We, therefore, use ab initio semiclassical dynamics to study decoherence in a sequence of analogous organic molecules of increasing size and find, surprisingly, that extending the carbon skeleton in propynal analogs slows down decoherence and prolongs charge migration. To elucidate this observation, we decompose the overall decoherence into contributions from individual vibrational modes and show that: 1) The initial decay of electronic coherence is caused by high- and intermediate-frequency vibrations via momentum separation of nuclear wavepackets evolving on different electronic surfaces. 2) At later times, the coherence disappears completely due to the increasing position separation in the low-frequency modes. 3) In agreement with another study, we observe that only normal modes that preserve the symmetry of the molecule induce decoherence. All together, we justify the enhanced charge migration by a combination of increased hole-mixing and the disappearance of decoherence contributions from specific vibrational modes—CO stretching in butynal and various H rockings in pentynal.

Science & Technology - Other Topics↗

Survival Rates of Out-Migrating Yearling Chinook Salmon in the Lower Columbia River and Plume after Exposure to Gas-Supersaturated Water

Abstract In 2011, unusually high flows caused total dissolved gas (TDG) levels in the Columbia River, USA, to escalate well above the 120% regulatory limit that was imposed to prevent harmful impacts to aquatic organisms. After observing gas bubble trauma (GBT) in dead yearling Chinook Salmon Oncorhynchus tshawytscha (smolts) held in tanks, we compared estimated survival rates of acoustic-tagged in-river-migrating (IR) and transported (TR) smolts that were released below Bonneville Dam prior to and during the period of elevated TDG (>120%). The log odds of estimated daily survival in the lower river and plume was significantly lower for IR smolts that were released during elevated TDG (maximum possible exposure = 134%) than for IR smolts released when TDG was less than 120%. The TR smolts that were released 10–13 km below Bonneville Dam during elevated TDG had lower maximum possible exposure levels (126% TDG), and the log odds of estimated daily survival in the lower river and plume did not differ from that of TR smolts released when TDG was less than 120%. Direct mortality due to GBT is probably reduced in natural settings relative to laboratory experiments because smolts can move to deeper water, where pressure keeps gasses in solution, and can migrate downstream of the spillway, where TDG levels decrease as the river returns to equilibrium with the atmosphere. However, initially nonlethal GBT may reduce survival rates by increasing smolt susceptibility to predation and infection. Although our findings are limited by the observational nature of the study, our analysis is the first direct assessment of gas supersaturation's potential influence on survival of free-ranging smolts in the river and coastal ocean below a large dam. Experiments using simultaneous releases of control and gas-exposed groups are warranted and should consider the possibility that the chronic effects of TDG exposure on survival are important and persist into the early marine period. Received October 5, 2015; accepted August 18, 2016 Published online October 24, 2016

Brosnan, Ian G. (ORCID:0000000325094325)↗

Juvenile Steelhead Distribution, Migration, Feeding, and Growth in the Columbia River Estuary, Plume, and Coastal Waters

Abstract Relative to extensive research on the freshwater stages of steelhead Oncorhynchus mykiss life history, little is known about the species' estuarine and early marine phases despite the decline of numerous populations, including several from the Columbia River. Comparisons of the distribution, diet, and growth of juvenile steelhead collected during surveys of the Columbia River estuary and coastal waters in May, June, and September 1998–2011 were analyzed for comparisons between fish caught in the estuary and ocean and between hatchery (marked) and putative wild (unmarked) fish. Almost all catches of juvenile steelhead in the ocean occurred during the May surveys (96%). Juvenile steelhead were consistently caught at the westernmost stations (>55 km from shore), indicating an offshore distribution. Based on otolith structure and chemistry, we determined that these juveniles had been in marine waters for an average of only 9.8 d (SD = 10.2). Some of the steelhead that had been in marine waters for 1–3 d were captured at the westernmost edge of survey transects, indicating rapid offshore migration. Estuary caught fish ate fewer prey types and consumed far less food than did ocean caught fish, which ate a variety of prey, including juvenile fishes, euphausiids, and crab megalopae. Estuary and ocean caught unmarked fish exhibited higher feeding intensities, fewer empty stomachs, and better condition than hatchery fish. Growth hormone levels (insulin like growth factor 1 [IGF 1]) in unmarked fish and hatchery fish varied annually, with unmarked fish having slightly higher overall values. In general, the FL, condition, stomach fullness, and IGF 1 of ocean caught steelhead increased with distance offshore. Unlike juveniles of other salmonid species, steelhead appeared to quickly migrate westward from coastal rivers and showed patterns of increased feeding and growth in offshore waters. An understanding of the estuarine and ocean ecology of steelhead smolts may assist in the management of threatened steelhead populations. Received July 18, 2013; accepted November 21, 2013

Daly, Elizabeth A.↗

MIGRATION AND GROWTH OF PROTOPLANETARY EMBRYOS. II. EMERGENCE OF PROTO-GAS-GIANT CORES VERSUS SUPER EARTH PROGENITORS

Nearly 15%-20% of solar type stars contain one or more gas giant planets. According to the core-accretion scenario, the acquisition of their gaseous envelope must be preceded by the formation of super-critical cores with masses 10 times or larger than that of the Earth. It is natural to link the formation probability of gas giant planets with the supply of gases and solids in their natal disks. However, a much richer population of super Earths suggests that (1) there is no shortage of planetary building block material, (2) a gas giant's growth barrier is probably associated with whether it can merge into super-critical cores, and (3) super Earths are probably failed cores that did not attain sufficient mass to initiate efficient accretion of gas before it is severely depleted. Here we construct a model based on the hypothesis that protoplanetary embryos migrated extensively before they were assembled into bona fide planets. We construct a Hermite-Embryo code based on a unified viscous-irradiation disk model and a prescription for the embryo-disk tidal interaction. This code is used to simulate the convergent migration of embryos, and their close encounters and coagulation. Around the progenitors of solar-type stars, the progenitor super-critical-mass cores of gas giant planets primarily form in protostellar disks with relatively high (≳ 10{sup –7} M {sub ☉} yr{sup –1}) mass accretion rates, whereas systems of super Earths (failed cores) are more likely to emerge out of natal disks with modest mass accretion rates, due to the mean motion resonance barrier and retention efficiency.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantification of the effect of uncertainty on impurity migration in PISCES-A simulated with GITR

A Bayesian inference strategy has been used to estimate uncertain inputs to global impurity transport code (GITR) modeling predictions of tungsten erosion and migration in the linear plasma device, PISCES-A. This allows quantification of GITR output uncertainty based on the uncertainties in measured PISCES-A plasma electron density and temperature profiles (n e , T e ) used as inputs to GITR. The technique has been applied for comparison to dedicated experiments performed for high (4 × 10 22 m –2 s –1 ) and low (5 × 10 21 m –2 s –1 ) flux 250 eV He–plasma exposed tungsten (W) targets designed to assess the net and gross erosion of tungsten, and corresponding W impurity transport. The W target design and orientation, impurity collector, and diagnostics, have been designed to eliminate complexities associated with tokamak divertor plasma exposures (inclined target, mixed plasma species, re-erosion, etc) to benchmark results against the trace impurity transport model simulated by GITR. The simulated results of the erosion, migration, and re-deposition of W during the experiment from the GITR code coupled to materials response models are presented. Specifically, the modeled and experimental W I emission spectroscopy data for a 429.4 nm line and net erosion through the target and collector mass difference measurements are compared. Furthermore, the methodology provides predictions of observable quantities of interest with quantified uncertainty, allowing estimation of moments, together with the sensitivities to plasma temperature and density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Efficient 3-D velocity model building using joint inline and crossline plane-wave wave-equation migration velocity analyses

SUMMARY Wave-equation migration velocity analysis (WEMVA) is an image-domain inversion method for velocity model building. Automatic plane-wave WEMVA (PWEMVA) calculates the moveouts of plane-wave common-image gathers (CIGs) by searching a best-fitting parabola with semblance analysis and backprojects residual CIG moveouts into wavefield wave paths with a reflection tomographic kernel. However, 3-D PWEMVA is very computationally expensive because 3-D reflection tomographic inversion requires at least five 3-D reverse-time migrations per iteration and stores two types of source wavefields at model boundaries. We develop a joint inline and crossline PWEMVA method for efficient 3-D velocity model building. We alternatively implement the inline and crossline PWEMVAs with a constraint for each other, in which we iteratively construct the 3-D velocity model update through 1-D spline interpolation of 2-D gradients. The inline and crossline joint inversion is practical since PWEMVA only inverts for low-wavenumber velocity perturbations along wave paths, and the method can take less than 1 per cent of the computational cost of full 3-D PWEMVA. To construct unaliased plane waves for our joint inline and crossline PWEMVA, we develop a 3-D data interpolation method in the frequency–wavenumber (FK) domain to recover regularly and randomly missing traces. The method minimizes the misfit on sufficiently localized data subsets with iterative optimal step lengths and a gradient preconditioner that iteratively selects dominant dips along different azimuths. In numerical experiments, we use a 3-D synthetic seismic data set and a land 3-D field seismic data set acquired at the Farnsworth CO2-EOR (enhanced oil recovery) field to demonstrate the efficacy of our velocity model building and data interpolation methods.

Liu, Xuejian↗

Microbiome Comparison and Pathogen Identification for Three Migrating Passerines Captured During Spring Season in Jordan Using 16S rRNA Sequencing

Jordan is located on an important spot along the Mediterranean and Black Sea Flyway. Hundreds of migratory bird species have been identified stopping over in Jordan during spring and autumn migratory seasons. Compared to mammals and economically important birds, the microbiomes of wild bird species are severely understudied. Gut microbial composition is a valuable source of information that reflects food preferences, foraging behavior, and the risk of pathogen transmission to humans and other animals. In this study, we assessed the microbiome composition of three species of migrating passerines (willow warblers, lesser whitethroats, and common reed warblers) captured during the spring migration stopover in Jordan in 2023. A total of 59 fecal samples were selected evenly from the three species and subjected to 16S sequencing and microbiome analysis. Our objectives were to determine the diversity of bacteria in these three species, assess the amount of intra- and inter-specific variation, and detect pathogenic genera and species that could pose health risks to humans, domestic animals, and wildlife. Bacteria mainly belonged to the phyla Proteobacteria (62%), Actinobacteriota (18%), Firmicutes (13%), Cyanobacteria (5%), and Bacteroidota (1%). The results reveal that lesser whitethroats had the greatest variation in bacterial genus richness, Shannon diversity, and microbial composition compared to willow warblers and common reed warblers. The three bird species harbored several pathogenic genera and species, including Campylobacter, Enterococcus, Escherichia-Shigella, Mycoplasma, Rickettsia, Clostridium perfringens, and Vibrio cholerae. We suggest further investigation to understand the relationship between migratory behavior and their gut microbiome. We advocate for the use of advanced molecular techniques to characterize the pathogens found in migratory birds that might have public and environmental health impacts in addition to economic loss.

59 BASIC BIOLOGICAL SCIENCES↗

Stellar migration and chemical enrichment in the milky way disc: a hybrid model

ABSTRACT We develop a hybrid model of galactic chemical evolution that combines a multiring computation of chemical enrichment with a prescription for stellar migration and the vertical distribution of stellar populations informed by a cosmological hydrodynamic disc galaxy simulation. Our fiducial model adopts empirically motivated forms of the star formation law and star formation history, with a gradient in outflow mass loading tuned to reproduce the observed metallicity gradient. With this approach, the model reproduces many of the striking qualitative features of the Milky Way disc’s abundance structure: (i) the dependence of the [O/Fe]–[Fe/H] distribution on radius Rgal and mid-plane distance |z|; (ii) the changing shapes of the [O/H] and [Fe/H] distributions with Rgal and |z|; (iii) a broad distribution of [O/Fe] at sub-solar metallicity and changes in the [O/Fe] distribution with Rgal, |z|, and [Fe/H]; (iv) a tight correlation between [O/Fe] and stellar age for [O/Fe] > 0.1; (v) a population of young and intermediate-age α-enhanced stars caused by migration-induced variability in the Type Ia supernova rate; (vi) non-monotonic age–[O/H] and age–[Fe/H] relations, with large scatter and a median age of ∼4 Gyr near solar metallicity. Observationally motivated models with an enhanced star formation rate ∼2 Gyr ago improve agreement with the observed age–[Fe/H] and age–[O/H] relations, but worsen agreement with the observed age–[O/Fe] relation. None of our models predict an [O/Fe] distribution with the distinct bimodality seen in the observations, suggesting that more dramatic evolutionary pathways are required. All code and tables used for our models are publicly available through the Versatile Integrator for Chemical Evolution (VICE; https://pypi.org/project/vice).

79 ASTRONOMY AND ASTROPHYSICS↗

Genomic insights into local adaptation and migration success in reintroduced Coho Salmon of the Wenatchee River basin

ABSTRACT Objective Reintroduction of salmonids into regions where they have been extirpated is a common conservation strategy that is often implemented through natural recolonization, translocation of natural populations, or hatchery-based programs. Locally adapting to specific environmental conditions is critical for long-term population viability, particularly for species like Coho Salmon Oncorhynchus kisutch, which face diverse selective pressures during their migration. This study focused on the mid-Columbia River Coho Salmon reintroduction program managed by Yakama Nation Fisheries, which has successfully reintroduced Coho Salmon into the Wenatchee and Methow River basins, Washington. Notably, these populations have adapted to the longer migration route than those in the founding stock, with selection favoring individuals with an earlier arrival time and that can navigate a 15-km, high-gradient canyon to reach optimal spawning grounds. The objectives of this study were to investigate whether specific genomic regions are under selection for traits associated with return location and timing in Coho Salmon. Methods Low-coverage whole-genome resequencing data were used to screen for genomic regions associated with the phenotypes of interest. Results A weak polygenic signal in female Coho Salmon was found to be associated with return group, with a subset of candidate adaptive regions occurring across eight chromosomes. Conclusions These findings provide insights into the genomic mechanisms underlying local adaptation in reintroduced salmon populations and inform broodstock selection strategies aimed at promoting natural production and long-term population sustainability.

Horn, Rebekah L.↗

Phase-field model for diffusion-induced grain boundary migration: An application to battery electrodes

Diffusion-induced grain boundary migration is a phenomenon in which a grain boundary moves in response to the driving forces generated by diffusing solute species. For example, diffusing solute species change the atomic volume in the host material, either by filling a vacancy with a misfitting solute atom or by expanding host lattices through interstitial diffusion. These volume changes are inhomogeneous and are stored as elastic energy in the material that drives grain boundaries. In this paper, we introduce our previously developed Cahn-Hilliard–phase-field-crystal model (CH-PFC) as a computational tool to investigate diffusion-induced grain boundary migration in crystalline materials. This multiscale phase-field model couples the composition field of a diffusing species with the crystallographic texture of a host material. We apply the CH-PFC model to battery electrodes and investigate whether interstitial solute diffusion induces grain growth in FePO 4 /LiFePO 4 electrodes. To this end, we compute grain growth in 60 FePO 4 electrodes by conducting two parallel trials: In the first trial, we cycle the electrode and calculate diffusion-induced grain growth. In the second trial, we do not cycle the electrode and calculate curvature-driven grain growth. We find a statistically significant grain growth in the cycled electrodes and negligible grain growth in the noncycled electrodes. Altogether, we show that the CH-PFC model not only predicts electrode microstructures as a function of the Li composition, but also predicts the crystallographic features of an electrode during battery operation.

36 MATERIALS SCIENCE↗

Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide

The electrode materials of Na-ion batteries must exhibit fast ion transport, a property that is often negatively impacted when mobile cations order. Many layered Na (and K) intercalation compounds adopt the P3 crystal structure, which tends to stabilize cation-vacancy orderings over a wide range of Na concentrations. The ordered phases have been predicted to consist of domains that are periodically separated by antiphase boundaries (APBs) to accommodate variations in Na concentration. The mechanisms and rates with which Na diffuses within such ordered phases of P3 are not understood. We have conducted a first-principles study of Na diffusion in the P3 structure, using Na x CoO 2 as a model system. We find that most simple nearest-neighbor hops in Na-vacancy ordered phases in P3 result in unstable configurations and are therefore forbidden. We identify an alternative mechanism of Na transport that is mediated by APB migration via the formation and expansion of kinks along domain boundaries. The limiting kinetic barriers for this mechanism are quite low (0.03 to 0.30 eV). Vacancy defects are not required, and furthermore have formation energies that are higher than those of the APB kink defects. Furthermore, our results suggest that APB migration is a fundamental diffusion mechanism in the P3 structure.

36 MATERIALS SCIENCE↗

Shear strain alters the structure and migration mechanism of self-interstitial atoms in copper

Here, we use atomistic modeling to show that externally applied shear strain causes the lowest energy self-interstitial atom (SIA) structure in copper (Cu) to change from a <100>-type dumbbell to a <110>-type dumbbell. Concurrently, SIA migration switches from the 3-D random walk characteristic of <100>-type dumbbells to a 1-D mechanism analogous to that of crowdion SIAs. Furthermore, the relative energies of these two dumbbell structures as a function of strain are well predicted using elastic dipole tensors computed at zero strain, indicating that examination of these tensors may be used to assess the likelihood of strain-induced SIA structure transitions in other materials. Changes in lowest energy SIA structures and associated migration mechanisms stand to impact predictions of SIA behavior in irradiated solids.

36 MATERIALS SCIENCE↗

Crystal structure of N-terminally hexahistidine-tagged Onchocerca volvulus macrophage migration inhibitory factor-1

Onchocerca volvulus causes blindness, onchocerciasis, skin infections and devastating neurological diseases such as nodding syndrome. New treatments are needed because the currently used drug, ivermectin, is contraindicated in pregnant women and those co-infected with Loa loa . The Seattle Structural Genomics Center for Infectious Disease (SSGCID) produced, crystallized and determined the apo structure of N-terminally hexahistidine-tagged O. volvulus macrophage migration inhibitory factor-1 (His- Ov MIF-1). Ov MIF-1 is a possible drug target. His- Ov MIF-1 has a unique jellyfish-like structure with a prototypical macrophage migration inhibitory factor (MIF) trimer as the `head' and a unique C-terminal `tail'. Deleting the N-terminal tag reveals an Ov MIF-1 structure with a larger cavity than that observed in human MIF that can be targeted for drug repurposing and discovery. Removal of the tag will be necessary to determine the actual biological oligomer of Ov MIF-1 because size-exclusion chomatographic analysis of His- Ov MIF-1 suggests a monomer, while PISA analysis suggests a hexamer stabilized by the unique C-terminal tails.

Kimble, Amber D. (ORCID:0000000167851596)↗

Evaluation of Carrier Trapping in SiNx Towards Ion Migration Measurements

Sodium ion migration has been implicated in potential induced degradation of the shunting type. The kinetics of sodium migration in silicon nitride can be investigated using a simple capacitance-voltage characterization technique. However, we show that the charge trapping strongly affects the measurement and must be taken into consideration in the experimental approach. Furthermore, we perform a systematic analysis of charge carrier trapping in silicon nitride, allowing us to correct trapping effects that otherwise prevent sodium signal detection. We extract trapping and detrapping time constants both on the order of several hours. This shows that trapping cannot be ignored as it occurs relatively quickly and is constantly evolving in time. Accurate determination of sodium behavior in dielectric layers will facilitate robust co-optimization of these layers for optical, passivation, and barrier properties.

42 ENGINEERING↗

In-Situ Characterization Tools for Evaluating Radiation Tolerance and Elemental Migration in Perovskites

This paper discusses the in-situ characterization tools designed to assess radiation tolerance and elemental migration in perovskite materials. With the increasing use of perovskites in various technological applications, understanding their response to radiation exposure is paramount. Ion Beam Induced Charge (IBIC) emerges as a powerful tool for investigating the radiation tolerance of perovskites at the microscale. By employing focused ion beams, IBIC allows for the spatial mapping of charge carriers, offering insights into the material's electronic response to radiation-induced defects. This technique enables researchers to pinpoint areas of enhanced or suppressed charge collection, providing valuable information on the perovskite's intrinsic properties under irradiation. Rutherford Backscattering Spectrometry (RBS) complements the study by offering a quantitative analysis of elemental migration in perovskite materials. Through the precise measurement of backscattered ions, RBS provides a detailed understanding of the elemental composition and distribution within the perovskite lattice after radiation exposure. The integration of IBIC and RBS techniques in in-situ experiments enhances the comprehensive characterization of radiation effects on perovskites.

ion beams↗