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At least 1,603 records · Page 89

Spatial correlations of entangled polymer dynamics

The spatial correlations of entangled polymer dynamics are examined by molecular dynamics simulations and neutron spin-echo spectroscopy. Due to the soft nature of topological constraints, the initial spatial decays of intermediate scattering functions of entangled chains are, to the first approximation, surprisingly similar to those of an unentangled system in the functional forms. However, entanglements reveal themselves as a long tail in the reciprocal-space correlations, implying a weak but persistent dynamic localization in real space. Furthermore, comparison with a number of existing theoretical models of entangled polymers suggests that they cannot fully describe the spatial correlations revealed by simulations and experiments. In particular, the strict one-dimensional diffusion idea of the original tube model is shown to be flawed. The dynamic spatial correlation analysis demonstrated in this work provides a useful tool for interrogating the dynamics of entangled polymers. Lastly, the failure of the investigated models to even qualitatively predict the spatial correlations of collective single-chain density fluctuations points to a possible critical role of incompressibility in polymer melt dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

Laser heating system at the Extreme Conditions Beamline, P02.2, $\mathrm{PETRA III}$

A laser heating system for samples confined in diamond anvil cells paired with in situ X-ray diffraction measurements at the Extreme Conditions Beamline of PETRA III is presented. The system features two independent laser configurations (on-axis and off-axis of the X-ray path) allowing for a broad range of experiments using different designs of diamond anvil cells. The power of the continuous laser source can be modulated for use in various pulsed laser heating or flash heating applications. An example of such an application is illustrated here on the melting curve of iron at megabar pressures. The optical path of the spectroradiometry measurements is simulated with ray-tracing methods in order to assess the level of present aberrations in the system and the results are compared with other systems, that are using simpler lens optics. Based on the ray-tracing the choice of the first achromatic lens and other aspects for accurate temperature measurements are evaluated.

47 OTHER INSTRUMENTATION↗

Comparison of Model Predictions and Performance Test Data for a Prototype Thermal Energy Storage Module

Although model predictions of thermal energy storage (TES) performance have been explored in previous investigations, relevant test data that enable experimental validation of performance models have been limited. This is particularly true for high-performance TES designs that facilitate fast input and extraction of energy. In this paper, we present a summary of experimental tests of a high-performance TES unit using lithium nitrate trihydrate phase change material as a storage medium. Performance data are presented for complete dual-mode cycles consisting of extraction (melting) followed by charging (freezing). These tests simulate the cyclic operation of a TES unit for asynchronous cooling in a variety of applications. Finally, the model analysis is found to agree reasonably well, within 10%, with the experimental data except for conditions very near the initiation of freezing, a consequence of subcooling that is required to initiate solidification.

25 ENERGY STORAGE↗

Predicting EBC Temperature Limits for Industrial Gas Turbines

Higher turbine inlet temperatures may require the use of ceramic matrix composites (CMC) such as SiC/SIC, which require environmental barrier coatings (EBCs) to protect them against the detrimental effect of water vapor. Here, the goal of this project is to determine the maximum bond coating temperature for EBCs for land-based turbines, where the minimum coating lifetime is 25,000 h. If the temperature exceeds the 1414°C melting point of the Si bond coating, then coatings without a bond coating also need to be evaluated. Thus, current Yb 2 Si 2 O 7 EBCs with a Si bond coating and next-generation EBCs without a Si bond coating are being evaluated in laboratory testing using 1-h cycles in air+90%H 2 O. For this initial work, coatings were deposited on CVD SiC coupons. Reaction kinetics at 1250°, 1300° and 1350°C have been evaluated by measuring the thickness of the thermally grown silica scale after 100–500 h exposures. For comparison, scale growth rates for uncoated SiC and Si specimens in dry and wet environments were included as minimum and maximum values, respectively. Based on a critical scale thickness failure criteria, estimated maximum temperatures were calculated for both EBC systems using this initial data.

42 ENGINEERING↗

Stereomicrostructure-regulated biodegradable adhesives

Commercial adhesives are petroleum-based thermoset networks or nonbiodegradable thermoplastic hot melts, making them ideal targets for replacement by biodegradable alternatives. Poly(3-hydroxybutyrate) (P3HB) is a biorenewable and biodegradable alternative to conventional plastics, but microbial P3HB, which has a stereoperfect stereomicrostructure, exhibits no adhesion. Here, in this study, by elucidating the fundamental relationship between chemocatalytically engineered P3HB stereomicrostructures and adhesion properties, we found that biodegradable syndio-rich P3HB exhibits high adhesion strength and outperforms common commercial adhesives, whereas syndiotactic, isotactic, or iso-rich P3HB shows no measurable adhesion. The syndio-rich stereomicrostructure brings about desired thermomechanical and viscoelastic properties of P3HB that enable strong adhesion to a range of substrates tested, including aluminum, steel, glass, and wood, and its performance is insensitive to molar mass and reprocessing or reuse.

36 MATERIALS SCIENCE↗

Luminescent Properties of Borosilicate Glass Doped with Cerium

ABS–BGP glasses (Al{sub 2}O{sub 3}–B{sub 2}O{sub 3}–SiO{sub 2}–BaCO{sub 3}–Gd{sub 2}O{sub 3}–P{sub 2}O{sub 5}) doped with different concentrations of Ce{sup 3+} ions are synthesized by the high-temperature melting technique. Optical, structural, and luminescence properties were studied. Emission connected with the transitions of Ce{sup 3+} ions is recorded in a spectral region of 350–550 nm. The luminescence decay kinetics is characterized by two components: fast and slow. The fast decay component is 45–90 ns; decreasing decay time of the slow component from 4 to 0.9 μs is observed with increasing cerium ion concentration. Based on the obtained results, it is assumed that Ce{sup 3+} ions exist in different emission states in the borosilicate glass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Photoluminescence of Cu{sub 2}O Crystals of Different Origins

Low-temperature luminescence spectra of Cu{sub 2}O crystals grown by different methods (copper oxidation, induction charge melting, magnetron sputtering, and hydrothermal), as well as natural crystals, have been compared. It is suggested that the high quality of natural crystals and crystals grown by the hydrothermal method is due to the fact that they grow for a long time at relatively low temperatures, which facilitates the minimization of stress.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Model estimates of dissolved organic carbon, runoff, snowmelt, and snow water equivalent from 1981-2010 across the western Arctic

This dataset contains estimates of dissolved organic carbon (DOC) yield (mg C m-2), runoff (mm day-1), snow water equivalent (SWE, mm day-1), and snowmelt (mm day-1) from a simulation of the Permafrost Water Balance Model (PWBM v4). The simulation effectively quantifies snowpack accumulation and melt, runoff, and DOC leaching, and broadly capture the seasonal cycle in DOC concentration and mass loadings. Daily air temperature, precipitation, and wind speed data from the Modern-Era Retrospective Analysis for Research and Applications (MERRA) were used for meteorological forcings. The model outputs are organized by grid and day of the month in gzipped ASCII text files contained within each archived ZIP file. No special software is required to work with these data. The basin and domain information files are also ASCII text. The gridded estimates are most useful for analyses of the spatial and temporal variations in terrestrial hydrology and leachate DOC concentrations and loadings across parts of the western Arctic. A manuscript describing the data and associated analysis has been accepted for publication in Journal of Geophysical Research - Biogeosciences (Rawlins et al., 2021).

54 ENVIRONMENTAL SCIENCES↗

Estimate of Gamma Dose Rates from Arrays of Fermi-1 Blanket Elements During the MEDE Process

The Enrico Fermi Atomic Power Plant Unit 1 (Fermi-1) was a sodium-cooled fast breeder reactor located in Monroe County, Michigan. The reactor was powered by a core of enriched uranium metal alloy driver fuel, which was enveloped by an axial and radial blanket material consisting of depleted uranium metal alloyed with 3 wt.% molybdenum. There are 406 axial and 559 radial irradiated sodium-bonded Fermi-1 blanket assemblies in storage at INL, totaling 34 metric tons of heavy metal. Disposal of the Fermi-1 blanket material directly into a geological repository is prohibited due to the reactive characteristic of its bond sodium. A melt drain evaporate (MEDE) process can effectively remove bond sodium from Fermi-1 blanket material. Consequently, planning is underway to apply a MEDE process to treat the 34 metric tons of heavy metal of irradiated Fermi-1 blanket material. Given the irradiated Fermi-1 blanket material’s relatively low power history and 50+ years of decay, it can be treated in a shielded glovebox. To assess the requisite shielding, the dose rates of the Fermi-1 blanket elements in various process configurations are needed. The method to perform the dose rate calculations is to first generate an average source term and associated photon source spectra for the Fermi-1 blanket material in SCALE and then use the associated photon spectra to calculate dose rates using MCNP6.2 in seven representative geometries. Dose rates in rem/h were calculated on contact (1 cm from outer geometry surface), 30 cm away from outer geometry surface, and 1 m from outer geometry surface at axial heights spanning the length of the blanket material within the geometry. The maximum average dose rate for the single Fermi-1 radial blanket element is ~0.60 rem/h, for the Fermi-1 radial blanket assembly ~1.10 rem/h, for the single Fermi-1 axial blanket element ~0.5 rem/h, for the Fermi-1 axial blanket assembly ~1.01 rem/h, for the MEDE can ~ 0.98 rem/h, for the Fermi Storage Canister ~ 0.83 rem/h, and for the MEDE cans in the DOE Standard Canister ~0.51 rem/h. Based on these maximum average values, the bounding dose rates are assumed to be 3× the average dose rates calculated for the axial blanket material and 7.6× the average dose rates calculated for the radial blanket material, based on the distribution of Fermi-1 blanket material assembly burnup.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of genotyping assays for detection of targeted CRISPR/Cas mutagenesis in highly polyploid sugarcane

Sugarcane (Saccharum spp.) is an important biofuel feedstock and a leading source of global table sugar. Saccharum hybrid cultivars are highly polyploid (2n = 100–130), containing large numbers of functionally redundant hom(e)ologs in their genomes. Genome editing with sequence-specific nucleases holds tremendous promise for sugarcane breeding. However, identification of plants with the desired level of co-editing within a pool of primary transformants can be difficult. While DNA sequencing provides direct evidence of targeted mutagenesis, it is cost-prohibitive as a primary screening method in sugarcane and most other methods of identifying mutant lines have not been optimized for use in highly polyploid species. In this study, non-sequencing methods of mutant screening, including capillary electrophoresis (CE), Cas9 RNP assay, and high-resolution melt analysis (HRMA), were compared to assess their potential for CRISPR/Cas9-mediated mutant screening in sugarcane. These assays were used to analyze sugarcane lines containing mutations at one or more of six sgRNA target sites. All three methods distinguished edited lines from wild type, with co-mutation frequencies ranging from 2% to 100%. Cas9 RNP assays were able to identify mutant sugarcane lines with as low as 3.2% co-mutation frequency, and samples could be scored based on undigested band intensity. CE was highlighted as the most comprehensive assay, delivering precise information on both mutagenesis frequency and indel size to a 1 bp resolution across all six targets. This represents an economical and comprehensive alternative to sequencing-based genotyping methods which could be applied in other polyploid species.

60 APPLIED LIFE SCIENCES↗

An Additively Manufactured Fe-3Si Stator for a High-Performance Electrical Motor

Additive manufacturing (AM) has the potential to produce novel high-performance electrical machines, enabling the direct printing of complex shapes and the simultaneous processing of multiple feedstocks in a single build. We examined the properties and functional performance of Fe-3 wt.% Si materials that were printed via selective laser melting, machined down to thin laminates, and stacked to form a stator core of a prototype brushless permanent-magnet electrical motor. Big Area Additive Manufacturing of Nd2Fe14B (NdFeB)–polyphenylene sulfide (PPS) bonded magnets was performed, with them then being magnetized and used for the rotor. The magnetic, mechanical, and electrical properties of the as-printed and various heat-treated thin laminates and the back electromotive force (EMF) of the electrical motors at different rotational speeds were measured. The thin laminates exhibit a maximum relative permeability of 7494 at an applied field of 0.8 Oe and a core loss of about 20 W/lb at 60 Hz with the maximum induction of 15 kg. In addition to the demonstration of AM printing, motor assembly, and complete characterization of printed Fe-3 wt.% Si, this report highlights the areas of improvement needed in printing technologies to achieve AM built electrical motors and the need for isotropic microstructure refinements to make the laminates appropriate for high-mechanical-strength and low-loss rotational electrical devices.

36 MATERIALS SCIENCE↗

P–V–T Equation of State of Iridium Up to 80 GPa and 3100 K

In the present study, the high-pressure high-temperature equation of the state of iridium has been determined through a combination of in situ synchrotron X-ray diffraction experiments using laser-heating diamond-anvil cells (up to 48 GPa and 3100 K) and density-functional theory calculations (up to 80 GPa and 3000 K). The melting temperature of iridium at 40 GPa was also determined experimentally as being 4260 (200) K. The results obtained with the two different methods are fully consistent and agree with previous thermal expansion studies performed at ambient pressure. The resulting thermal equation of state can be described using a third-order Birch–Murnaghan formalism with a Berman thermal-expansion model. The present equation of the state of iridium can be used as a reliable primary pressure standard for static experiments up to 80 GPa and 3100 K. A comparison with gold, copper, platinum, niobium, rhenium, tantalum, and osmium is also presented. On top of that, the radial-distribution function of liquid iridium has been determined from experiments and calculations.

36 MATERIALS SCIENCE↗

Transient Phase-Driven Cyclic Deformation in Additively Manufactured 15-5 PH Steel

The present work extends the examination of selective laser melting (SLM)-fabricated 15-5 PH steel with the 8%-transient-austenite-phase towards fully-reversed strain-controlled low-cycle fatigue (LCF) test. The cyclic-deformation response and microstructural evolution were investigated via in-situ neutron-diffraction measurements. The transient-austenite-phase rapidly transformed into the martensite phase in the initial cyclic-hardening stage, followed by an almost complete martensitic transformation in the cyclic-softening and steady stage. The compressive stress was much greater than the tensile stress at the same strain amplitude. The enhanced martensitic transformation associated with lower dislocation densities under compression predominantly governed such a striking tension-compression asymmetry in the SLM-built 15-5 PH.

15-5 PH stainless steel↗

Progress and Challenges of Additive Manufacturing of Tungsten and Alloys as Plasma-Facing Materials

Tungsten (W) and W alloys are considered as primary candidates for plasma-facing components (PFCs) that must perform in severe environments in terms of temperature, neutron fluxes, plasma effects, and irradiation bombardment. These materials are notoriously difficult to produce using additive manufacturing (AM) methods due to issues inherent to these techniques. The progress on applying AM techniques to W-based PFC applications is reviewed and the technical issues in selected manufacturing methods are discussed in this review. Specifically, we focus on the recent development and applications of laser powder bed fusion (LPBF), electron beam melting (EBM), and direct energy deposition (DED) in W materials due to their abilities to preserve the properties of W as potential PFCs. Additionally, the existing literature on irradiation effects on W and W alloys is surveyed, with possible solutions to those issues therein addressed. Finally, the gaps in possible future research on additively manufactured W are identified and outlined.

36 MATERIALS SCIENCE↗

Microstructural and Oxidation Effects of Nb Additions to U3Si2

U3Si2 is a long term, accident-tolerant nuclear fuel candidate for light-water reactors because of its superior thermal conductivity and increased uranium density when compared to traditional uranium dioxide (UO2). While reducing internal thermal stresses and increasing efficiency, U3Si2 exhibits energetic oxidation during certain off-normal and accident scenarios, which include coolant or steam exposure. To mitigate this, Nb is investigated as an alloy constituent to enhance corrosion resistance and increase mechanical strength. The work presented investigates the response of Nb-alloyed U3Si2 to steam atmospheres. A thermogravimetric analysis is conducted in flowing steam to T > 1000 °C to assess oxidation resistance. The phase characterization of as-melted, thermally annealed and post-oxidation compositions with up to 12 vol% Nb by powder X-ray diffraction, scanning electron microscopy, and energy dispersive spectroscopy is reported.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Digital camera imagery for vegetation phenology, Seward Peninsula, Alaska, 2021-2022

Timelapse camera images from Council Mile Marker (MM) 71, Kougarok MM 64, Kougarok Fire Complex (KFC, also referred to as the Garfield Fire Site), and Teller MM 27 NGEE-Arctic field sites on the Seward Peninsula, Alaska, captured from August 2021 to July 2022. Ten Wingscape Timelapse Pro cameras, and twenty seven Power-interval Camera Automation Modules (PiCAMs) designed by Brookhaven National Laboratory's Terrestrial Ecosystem Science and Technology (TEST) group were deployed targeting patches of low and tall shrubs (including Alnus sp. and Salix sp.) and general vegetation and landscape views. Images from Wingscape cameras were recorded at hourly intervals from 11 AM to 2 PM, and images from PiCAMs were recorded at 5 hourly intervals from 12 AM to 8 PM, continuously for 12 months and capture vegetation phenology, snow accumulation and snow melt events. This data package includes images (*.jpg), organized by site and camera ID, and metadata with details of the cameras used, number of images recorded, start and end dates, GPS locations and example fields of view. Additional information available in *.pdf and *.csv files. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Digital camera imagery for vegetation phenology, Seward Peninsula, Alaska, 2019-2021

Time lapse camera images from Kougarok mile marker (MM) 64 and Teller MM 27 NGEE-Arctic field sites on the Seward Peninsula, Alaska, captured from July 2019 to August 2021. Thirty three Wingscape Timelapse Pro cameras were deployed targeting patches of low and tall shrubs (including Alnus sp. and Salix sp.) and general vegetation and landscape views. Images from were recorded at hourly intervals from 11 AM to 2 PM, continuously for 25 months and capture vegetation phenology, snow accumulation and snow melt events. This data package includes images (*.jpg), organized by site and camera ID, and metadata with details of the cameras used, number of images recorded, start and end dates, GPS locations and example fields of view. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Digital camera imagery for vegetation phenology, Seward Peninsula, Alaska, 2022-2023

Timelapse camera images from Council Mile Marker (MM) 71, Kougarok MM 64, Kougarok Fire Complex (KFC), and Teller MM 27 NGEE-Arctic field sites on the Seward Peninsula, Alaska, captured from July 2022 to July 2023. Eight Wingscape Timelapse Pro cameras, and thirty-one Power-interval Camera Automation Modules (PiCAMs) designed by Brookhaven National Laboratory?s Terrestrial Ecosystem Science and Technology (TEST) group were deployed targeting patches of low and tall shrubs (including Alnus sp. and Salix sp.) and general vegetation and landscape views. Images from Wingscape cameras were recorded at hourly intervals from 11 AM to 2 PM, and images from PiCAMs were recorded at 5 hourly intervals from 12 AM to 8 PM, continuously for 12 months and capture vegetation phenology, snow accumulation and snow melt events. This data package includes images (*.jpg), organized by site and camera ID, and metadata with details of the cameras used, number of images recorded, start and end dates, GPS locations and example fields of view. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗