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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Characterizing particle-like charge-migration dynamics with high-order harmonic sideband spectroscopy

Here, we introduce high-order harmonic sideband spectroscopy and show that it can be a robust probe of charge migration (CM) in a halogenated carbon-chain molecule. We simulate both the CM and high-order harmonic generation (HHG) dynamics using ab initio time-dependent density-functional theory. We find that CM dynamics initiated along the molecular backbone induces sidebands in the HHG spectrum driven by a delayed laser pulse that is polarized perpendicular to the molecular axis. Monitoring the spectrum as either the HHG laser frequency or the relative delay is scanned allows for the extraction of detailed information about the time-domain characteristics of the CM process.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Direct Cation Exchange in Monolayer MoS 2 via Recombination-Enhanced Migration

In addition to their unique optical and electronic properties, two-dimensional materials provide opportunities to directly observe atomic-scale defect dynamics. Here we use scanning transmission electron microscopy to observe substitutional Re impurities in monolayer MoS 2 undergo direct exchanges with neighboring Mo atoms in the lattice. Density-functional-theory calculations find that the energy barrier for direct exchange, a process that has only been studied as a diffusion mechanism in bulk materials, is too large for either thermal activation or energy directly transferred from the electron beam. The presence of multiple sulfur vacancies next to the exchanged Re-Mo pair, as observed by electron microscopy, does not lower the energy barrier sufficiently to account for the observed atomic exchange. Instead, the calculations find that a Re dopant and surrounding sulfur vacancies introduce an ever-changing set of deep levels in the energy gap. We propose that these levels mediate an “explosive” recombination-enhanced migration via multiple electron-hole recombination events. As a proof of concept, we also show that Re-Mo direct exchange can be triggered via controlled creation of sulfur vacancies. The present experimental and theoretical findings lay a fundamental framework towards manipulating single substitutional dopants in two-dimensional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molecular Modes of Attosecond Charge Migration

Here, first-principles calculations are employed to elucidate the modes of attosecond charge migration (CM) in halogenated hydrocarbon chains. We use constrained density functional theory (DFT) to emulate the creation of a localized hole on the halogen and follow the subsequent dynamics via time-dependent DFT. We find low-frequency CM modes (~ 1 eV) that propagate across the molecule and study their dependence on length, bond order, and halogenation. We observe that the CM speed (~ 4Å/ fs) is largely independent of molecule length, but is lower for triple-bonded versus double-bonded molecules. Additionally, as the halogen mass increases, the hole travels in a more particlelike manner as it moves across the molecule. These heuristics will be useful in identifying molecules and optimal CM detection methods for future experiments, especially for halogenated hydrocarbons which are promising targets for ionization-triggered CM.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

How relative defect migration energies drive contrasting temperature-dependent microstructural evolution in irradiated ceramics

Ceramic materials have become widely used in various fields of material science, and ceramic oxides such as cubic zirconia (c- ZrO 2 ) and magnesia (MgO) are candidate materials for nuclear energy applications. For the corresponding in-service conditions of these materials, there is a crucial need in studies at moderate or high temperatures of the physical phenomena underlying the damage buildup under irradiation. Here in the present work, we show, using x-ray diffraction, that these two materials exhibit a similar damage accumulation process under ion irradiation at fixed temperature. However, they display an unexpected opposite damaging rate to changes in the irradiation temperature. In fact, as the temperature is increased, the final damage state is reached earlier in c- ZrO 2 while it is delayed in MgO. Rate equation cluster dynamics simulations show that defect clustering is favored over defect recombination in c- ZrO 2 , but the situation is reversed for MgO, explaining the observed opposite response to temperature of the two materials. This contrasting behavior can be rationalized in terms of nonequivalent interstitial versus vacancy defect migration energies in MgO. We finally demonstrate that these results allow for a qualitative prediction of the evolution of the experimental irradiation-induced disorder with temperature, henceforth potentially reducing the cost in selecting and developing ad hoc materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Designing Algorithms for the EMU Migrating-threads-based Architecture

The decades-old memory bottleneck problem for data-intensive applications is getting worse as the processor core counts continue to increase. Workloads with sparse memory access characteristics only achieve a fraction of a system’s total memory bandwidth. EMU architecture provides a radical approach to the issue by migrating the computational threads to the location where the data resides. The system enables access to a large PGAS-type memory for hundreds of nodes via a Cilk- based multi-threaded execution scheme.EMU architecture brings brand new challenges in application design and development. Data distribution and thread creation strategies play a crucial role in achieving optimal performance in the EMU platform. In this work, we identify several design considerations that need to be taken care of while developing applications for the new architecture and we evaluate their performance effects on the EMU-chick hardware. We also present a modified BFS algorithm for the EMU system and give experi- mental results for its execution on the platform.

Belviranli, Mehmet E.↗
DOE OSTI2025

Illuminated nights accelerate the migration‐linked phenology in a passerine finch redheaded bunting

Abstract The excessive use of artificial light is altering the natural light–dark cycles, consequently impacting animal behavior and physiology. Dim light at night (dLAN) can disrupt migratory patterns, alter hormone levels, and impact breeding success in birds. The present research aims to address the effects of dLAN on the metabolic and reproductive tissues of migratory redheaded bunting ( Emberiza bruniceps ). For this, buntings under short winter‐like days (10L:14D) were exposed to either dark nights ( D = 0.00014 W/m 2 ) or dLAN ( D = 0.058 W/m 2 ), and their locomotor activity, body mass, fat score, food intake, testicular volume, and plasma testosterone levels were measured. The histological architecture of the muscle, intestine, testis, and liver tissues was assessed. Birds exposed to dark nights confined their activity to the daytime only, whereas the dLAN group showed nocturnal activity and initiated Zugunruhe (nighttime restlessness). The body mass, food intake, fat score, and testicular volume significantly increased under dLAN. Histomorphometry revealed increased muscle width, epithelium thickness, and lumen diameter in the testis, proximal and distal muscularis thickness in the intestine, hepatic lipid droplet size, and decreased proximal villi length and intestinal diameter under dLAN. Further, plasma testosterone levels also increased under dLAN. Our results suggest that dLAN can induce migration‐linked phenotypes even under non‐stimulatory short days leading to mistimed seasonal activities.

Tiwari, Jyoti [Department of Zoology University of↗
DOE OSTI2015

TU-CD-303-04: Radiation-Induced Long Distance Tumor Cell Migration Into and Out of the Radiation Field and Its Clinical Implication

Recent advances in cancer research have shed new light on the complex processes of how therapeutic radiation initiates changes at cellular, tissue, and system levels that may lead to clinical effects. These new advances may transform the way we use radiation to combat certain types of cancers. For the past two decades many technological advancements in radiation therapy have been largely based on the hypothesis that direct radiation-induced DNA double strand breaks cause cell death and thus tumor control and normal tissue damage. However, new insights have elucidated that in addition to causing cellular DNA damage, localized therapeutic radiation also initiates cascades of complex downstream biological responses in tissue that extend far beyond where therapeutic radiation dose is directly deposited. For instance, studies show that irradiated dying tumor cells release tumor antigens that can lead the immune system to a systemic anti-cancer attack throughout the body of cancer patient; targeted irradiation to solid tumor also increases the migration of tumor cells already in bloodstream, the seeds of potential metastasis. Some of the new insights may explain the long ago discovered but still unexplained non-localized radiation effects (bystander effect and abscopal effect) and the efficacy of spatially fractionated radiation therapy (microbeam radiation therapy and GRID therapy) where many “hot” and “cold” spots are intentionally created throughout the treatment volume. Better understanding of the mechanisms behind the non-localized radiation effects creates tremendous opportunities to develop new and integrated cancer treatment strategies that are based on radiotherapy, immunology, and chemotherapy. However, in the multidisciplinary effort to advance new radiobiology, there are also tremendous challenges including a lack of multidisciplinary researchers and imaging technologies for the microscopic radiation-induced responses. A better grasp of the essence of these advances in cancer biology research will give medical physicists a new perspective in daily clinical physics practice and in future radiation therapy technological development. Furthermore, academic medical physics should continue to be an integral part of the multidisciplinary cancer research community, harnessing our newly acquired understanding of radiation effects, and developing novel cost-effective treatment strategies to better combat cancer. Learning Objectives: Understand that localized radiation can lead to non-localized secondary effects such as radiation-induced immune response, bystander effect, and abscopal effect. Understand that the non-localized radiation effects may be harnessed to improve cancer treatment. Learn examples of physics participation in multidisciplinary research to advance cancer biology. Recognize the challenges and possibilities of physics applications in cancer research. Chang: NIH 5RC2CA148487-02 and 1U54CA151652-01 Graves: IDEA award (19IB-0106) from the California Breast Cancer Research Program (CBCRP), and by NIH P01 CA67166.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Migration of Cobalt Species within Mixed Platinum-Cobalt Oxide Bifunctional Electrocatalysts in Alkaline Electrolytes

Bifunctional oxygen electrocatalysts have significant potentials for energy storage and conversion applications. Here we report a facile strategy toward bifunctional electrocatalysts by supporting mixed platinum and cobalt oxide nanoparticles on carbon black. The composite electrocatalyst (denoted as Pt+CoO x /C) is found to exhibit higher oxygen evolution reaction (OER) activity than CoOx/C, but slightly lower oxygen reduction reaction (ORR) activity than Pt/C in alkaline electrolytes. The bifunctional catalytic performance is ascribed to the in situ formation of heterogenous platinum-cobalt (hydro)oxide (Pt-CoO x H y ) interfaces under the electrochemical reaction conditions. Calculated electrochemical phase (Pourbaix) diagrams suggest that the migration of Co species was driven by the relative stability of Pt-CoO x H y interfaces versus bulk (hydroxy)oxides or aqueous ions of cobalt.

25 ENERGY STORAGE↗
DOE OSTI2018

Accelerated Stress Testing of Fuel Cell Membranes Subjected to Combined Mechanical/Chemical Stressors and Cerium Migration

A highly accelerated stress test (HAST) has been developed to generate local stressful conditions that are representative of those in automotive fuel cell stacks. Using a 50-cm 2 cell cycled between 0.05 and 1.2 A/cm 2 with a low inlet RH in the co-flow configuration, the HAST creates a distribution of combined mechanical/chemical stressors in the membrane with the maximum chemical stress occurring near the gas inlets and the maximum mechanical stress near the outlets. Conducting HASTs using a current distribution measurement tool and a shorting/crossover diagnostic method to track the state of health of a robust membrane containing both a mechanical support and a chemical stabilizing additive, the result shows that the membrane location with the most severe thinning coincides with that of the deepest membrane hydration cycling. Upon examination of the cerium redistribution patterns after the test, it was found that the severe humidity cycling generated by the HAST condition near the outlet region not only generated the highest membrane mechanical stress but also resulted in the strongest water flux, which may cause local depletion of the cerium added as chemical stabilizer. Further study is required to decouple the cerium migration effect from the possible mechanical/chemical synergistic degradation effect.

25 ENERGY STORAGE↗
DOE OSTI2017

Transition metal dissolution, ion migration, electrocatalytic reduction and capacity loss in Lithium-ion full cells

Continuous operation of full cells with layered transition metal (TM) oxide positive electrodes (NCM523) leads to dissolution of TM ions and their migration and incorporation into the solid electrolyte interphase (SEI) of the graphite-based negative electrode. These processes correlate with cell capacity fade and accelerate markedly as the upper cutoff voltage (UCV) exceeds 4.30 V. At voltages ≥ 4.4 V there is enhanced fracture of the oxide during cycling that creates new surfaces and causes increased solvent oxidation and TM dissolution. Despite this deterioration, cell capacity fade still mainly results from lithium loss in the negative electrode SEI. Among TMs, Mn content in the SEI shows a better correlation with cell capacity loss than Co and Ni contents. As Mn ions become incorporated into the SEI, the kinetics of lithium trapping change from power to linear at the higher UCVs, indicating a large effect of these ions on SEI growth and implicating (electro)catalytic reactions. Lastly, we estimate that each Mn II ion deposited in the SEI causes trapping of ~10 2 additional Li + ions thereby hastening the depletion of cyclable lithium ions. Using these results, we sketch a mechanism for cell capacity fade, emphasizing the conceptual picture over the chemical detail.

25 ENERGY STORAGE↗
DOE OSTI2019

Global modeling of wall material migration following boronization in NSTX-U

Boronization is commonly utilized in tokamaks to suppress intrinsic impurities, most notably oxygen from residual water vapor. However, this is a temporary solution, as oxygen levels typically return to pre-boronization levels following repeated plasma exposure. The global impurity migration model WallDYN has been applied to the post-boronization surface impurity evolution in NSTX-U. A "Thin Film Model" has been incorporated into WallDYN to handle spatially inhomogeneous conditioning films of varying thicknesses, together with an empirical boron conditioning model for the NSTX-U glow discharge boronization process. The model qualitatively reproduces the spatial distribution of boron in the NSTX-U vessel, the spatially-resolved divertor emission pattern, and the increase in oxygen levels following boronization. The simulations suggest that oxygen is primarily sourced from wall locations without heavy plasma flux or significant boron deposition, namely the lower and upper passive plates and the lower private flux zone.

Integrated modeling↗
DOE OSTI2017

REsource Migration Interface

REMI is a Mochi microservice designed to handle the migration of sets of files from a node to another. It uses RDMA and memory mapping to efficiently transfer potentially large groups of files at once.

Dorier, Matthieu↗
DOE OSTI2013

Survival of Seaward-Migrating PIT and Acoustic-Tagged Juvenile Chinook Salmon in the Snake and Columbia Rivers: An Evaluation of Length-Specific Tagging Effects

Studies examining the survival of juvenile salmon as they emigrate to the ocean provide important information regarding the management of regulated river systems. Acoustic telemetry is a widely used tool for evaluating the behavior and survival of juvenile salmonids in the Columbia River basin. Thus, it is important to understand how the surgical tagging process and the presence of a transmitter affect survival so any biases can be accounted for or eliminated. This study evaluated the effects of fish length and tag type on the survival of yearling and subyearling Chinook salmon during their seaward migrations through the Snake and Columbia rivers during 2006, 2007, and 2008. Fish were collected at Lower Granite Dam on the Snake River (river kilometer 695) and implanted with either only a passive integrated transponder (PIT) tag (PIT fish) or both a PIT tag and an acoustic transmitter (AT fish). Survival was estimated from release at Lower Granite Dam to multiple downstream locations (dams) using the Cormack–Jolly–Seber single release model, and analysis of variance was used to test for differences among length-classes and between tag types. No length-specific tag effect was detected between PIT and AT fish (i.e., length affected the survival of PIT fish in a manner similar to which it affected the survival of AT fish). Survival among the smallest length class (i.e., 80–89 mm) of both PIT and AT subyearling Chinook salmon was markedly low (i.e., 4%). Fish length was positively correlated with the survival of both PIT and AT fish. Significant differences in survival were detected between tag types; the survival of PIT fish was generally greater than that of AT fish. However, confounding variables warrant caution in making strong inferences regarding this factor. Further, results suggest that tag effects may be due to the process of surgically implanting the transmitter rather than the presence of the transmitter.

juvenile Chinook salmon↗
DOE OSTI2019

Global meta-analysis of published river bank erosion and migration rates

This dataset is a compilation of 993 measurements of riverbank erosion or migration rates from 336 rivers and streams compiled from 169 published English language studies. The dataset spans rivers across latitudes ranging from 46 deg south to 71 deg north. The rivers range in drainage area from 0.6 to 3 million square kilometers. If provided in a published study, recorded channel width, river drainage area, and sediment load and/or yield were summarized. In the absence of these ancillary data from the original source, this data was compiled from other published studies, global and regional datasets, or measured from Google Earth images. The dataset also provides information on whether the rates were measured at an individual river bend or represent reach-based averages, as well as, whether the river is single or multi-threaded.Revisions 2023 January updateAdded 72 new erosion measurements. Dropped 10 records that did not have mean erosion values.“DrainageArea(km^2)_rabpro” added“DrainageArea(km^2)” – updated to only include published drainage area and values obtained from sources other than the rabpro analysis.“River_slope_pub” added to provide river slope values provided in the published erosion study or other source listed in the “Slope Reference” field“RiverSlope_Lin” added“FLO1K_MonthlyMax_LT” and “FLO1K_MontlyMax_PoR” added“KG_Zone” added from Köppen-geiger climate classification based on Beck et al. 2018

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Los Alamos National Laboratory Fall Avian Migration Monitoring Report 2010-12

During the fall of 2012, Los Alamos National Security, LLC (LANS) biologists completed the 3rd year of monitoring fall migration passerines (songbirds) at Los Alamos National Laboratory (LANL). Songbirds were captured at a mist-netting station located in a large wetland/riparian complex in Technical Area (TA)-36 on the north side of Pajarito Road in Los Alamos County. Captured birds were identified, measured, and banded with a U.S. Fish and Wildlife Service (USFWS) migratory bird band. Banding operations took place between 7 August and 10 October 2012 with the completion of a total of ten mist-netting sessions. This project was conducted as part of implementation of the Biological Resources Management Plan (BRMP) and is in compliance with the 2006 Memorandum of Understanding (MOU) between the USFWS and the Department of Energy (DOE)/National Nuclear Security Administration (NNSA) and Executive Order 13186.

Basic Biological Sciences↗
DOE OSTI2015

Reducing Uncertainties in Model Predictions via History Matching of CO 2 Migration and Reactive Transport Modeling of CO 2 Fate at the Sleipner Project

An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO 2 plume migration?” For tracking CO 2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH 4 into the CO 2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO 2 accumulation thickness, and CO 2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2014

Strategy for Migration of Traditional to Hybrid Control Boards in a Nuclear Power Plant

This strategy document describes the NUREG-0711 based human factors engineering (HFE) phases and associated elements required to support design, verification and validation (V&V), and implementation of new digital control room elements in a legacy analog main control room (MCR). Information from previous planning and analysis work serves as the foundation for creating a human-machine interface (HMI) specification for distributed control systems (DCSs) to be implemented as part of nuclear power plant (NPP) modernization. This document reviews ways to take the HMSI specification and use it when migrating legacy displays or designing displays with new functionality. These displays undergo iterative usability testing during the design phase and then an integrated system validation (ISV) in the full-scope control room training simulator. Following successful demonstration of operator performance using the systems during the ISV, the new DCS is implemented at the plant, first in the training simulator and then in the MCR. This document concludes with a sample project plan, including a 15-month timeline from DCS design through implementation. Included is a discussion of how the U.S. Department of Energy’s Human System Simulation Laboratory (HSSL) can be used to support design and V&V activities. This report completes a Level 4 (M4) milestone under the U.S. Department of Energy’s (DOE’s) Light Water Reactor Sustainability (LWRS) Program.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

The Nocturnal Avian Migration Experiment Final Campaign Report

Remote sensing techniques are playing a greater role in ornithology, and radar has proven a valuable tool for high resolution, long-term observations of airborne animals. The major disadvantage in radar remote sensing is the current inability to gain taxonomic information from these measurements. One solution is the incorporation of collocated acoustic monitoring that can provide recordings of species-specific nocturnal flight calls of migrating birds in flight. In addition, by taking multichannel recordings of these calls, the position of the calling bird can be calculated and linked to collocated radar measurements.

47 OTHER INSTRUMENTATION↗