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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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40 records · Page 3

Key Factors in Semi-Generic Coarse-Grained Modeling of Solid Polymer Electrolytes

Given the long length and time scales of interest and strong interactions present in solid polymer electrolytes, coarse-grained molecular models can be useful in understanding the molecular basis of their structure and transport properties. Rather than representing atoms individually, coarse-grained models use beads representing groups of atoms, making the system simpler and more efficient. Generic coarse-grained models, that are not built based on matching a particular atomistic system, can provide insight into the important physical considerations that apply across different chemical systems, though it can be unclear how to best match to experimental systems and capture relevant experimental behaviors with as simple of a model as possible. Here, we build on generic bead-spring models, but use stiff angle potentials, set different bead properties for different polymer types, and include additional ion parameters, creating a semi-generic coarse-grained model that can map more specifically to polymers and copolymers with different chain architectures, component glass transition temperatures, and ion solvation behaviors. We set most parameters with basic homopolymer data such as glass transition temperatures, Kuhn length, density, and dielectric constant, with further adjustment based on data from the polymer electrolyte system. We specifically model polystyrene-block-poly(oligo-oxyethylene methyl ether methacrylate) (PS-b-POEM) with lithium triflate salt, considering the POEM to be made of a poly(methylmethacrylate) backbone with poly(ethylene oxide) side chains. Solvation of ions is accounted for by additional polymer-ion interactions of the form -S/r4, plus additional lithium-polymer Lennard-Jones interactions. We find these potentials have different effects and discuss strategies for setting these parameters.

Zhang, Yuanhao↗

The Lick Observatory Supernova Search follow-up program: photometry data release of 70 SESNe

We present BVRI and unfiltered (Clear) light curves of 70 stripped-envelope supernovae (SESNe), observed between 2003 and 2020, from the Lick Observatory Supernova Search follow-up program. Our SESN sample consists of 19 spectroscopically normal SNe Ib, 2 peculiar SNe Ib, six SNe Ibn, 14 normal SNe Ic, 1 peculiar SN Ic, 10 SNe Ic-BL, 15 SNe IIb, 1 ambiguous SN IIb/Ib/c, and 2 superluminous SNe. Our follow-up photometry has (on a per-SN basis) a mean coverage of 81 photometric points (median of 58 points) and a mean cadence of 3.6 d (median of 1.2 d). From our full sample, a subset of 38 SNe have pre-maximum coverage in at least one passband, allowing for the peak brightness of each SN in this subset to be quantitatively determined. We describe our data collection and processing techniques, with emphasis toward our automated photometry pipeline, from which we derive publicly available data products to enable and encourage further study by the community. Using these data products, we derive host-galaxy extinction values through the empirical colour evolution relationship and, for the first time, produce accurate rise-time measurements for a large sample of SESNe in both optical and infrared passbands. By modelling multiband light curves, we find that SNe Ic tend to have lower ejecta masses and lower ejecta velocities than SNe Ib and IIb, but higher 56Ni masses.

Lick Observatory↗

IEA Wind TCP Task 49: Reference Site Conditions for Floating Wind Arrays

This report, prepared within Work package 1 of IEA Wind Task 49, presents reference site conditions for floating wind arrays to serve as a design basis for the techno-economic design of reference floating wind arrays. Data of the reference sites presented here are publicly available in an open database and thus support fast development and comparable design of floating wind arrays for various relevant conditions. The development of these reference sites drew on existing open access datasets and ongoing research projects of task participants. Six classes were identified that describe relevant key conditions for the design and development of floating wind arrays: met-ocean conditions, seabed conditions, coastal infrastructure, environmental impact, socio-economic impact, as well as regulations and permissions. The reference sites for the techno-economic design of floating wind arrays are based on a concept with building blocks to synthesize purpose-built site representations. In each of the identified classes with influencing design factors, building blocks are used to describe the characteristic properties and their spread. However, the latter three classes (i.e., environmental impact, socio-economic impact, regulations and permissions) are not included in the reference site conditions due to limited knowledge and lack of reliable criteria to quantify their impact on the techno-economic design in numeric parameters. Building blocks with key parameters for the techno-economic design of floating wind arrays are provided for met-ocean conditions, seabed conditions, and coastal infrastructure. For met-ocean conditions, multiple sites were selected for detailed analysis that represent a range of conditions across the pipeline of floating wind projects. Wind conditions and sea states are separated, and each location considers both the severity of wind and waves e.g. one site may have a moderate wave condition but severe wind condition. From this pipeline, eleven representative sites were selected where both site-specific analysis was available within the consortium, and where they represent different parts of the global pipeline. The eleven sites are: Hannibal (Italy), Humboldt (US), Ulsan (South Korea), MoneyPoint One (Ireland), Havbredey (UK), Fukushima (Japan), Utsira Nord (Norway), Gulf of Maine (US), Sud de la Bretagne II (France), Sorlige Nordsjo II (Norway). Each of these sites is summarized in the main report while more details about the studies and analyses behind the datasets are provided in the appendix. For seabed conditions, general information about the geotechnical parameters is provided and a baseline is established for the geotechnical parameters and stratigraphy that may be encountered on the sites. A set of six 'synthetic cases' is defined as building blocks providing the different parameters required for design under each case/soil condition. For the coastal infrastructure, general information about the main requirements is provided that a port should comply with to provide a satisfactory service during the construction of floating offshore wind arrays. Minimum port infrastructural requirements are provided for three types of ports.

17 WIND ENERGY↗

Vitrification of Hanford Tank 241-AP-101 Waste and Simulant

Hanford tank 241-AP-101 (referred to herein as AP-101) is the second Hanford radioactive tank waste planned to be processed and vitrified. A simulant version of AP 101 waste was formulated from the best-basis inventory (BBI) for the Hanford Tank 241-AP-101 liquid with an assumed target dilution of the waste from the BBI sodium molarity of 8.61 M to the desired 5.5 M Na. After the addition of glass-forming chemicals (GFCs), the simulant melter feed was processed in a non-radioactive, continuous laboratory-scale melter (CLSM) system. The AP-101 simulant melter feed was charged into the CLSM for 6.11 h of processing, which produced 6.55 kg of glass, for an average glass production rate of 2275 kg m 2 d -1 . Since there were no processing issues with the AP-101 simulant melter feed, AP-101 melter feed made with actual waste was then processed in a CLSM system built into a contamination area in a radioactive environment. The melting behavior characteristics appeared similar for both the simulant and waste melter feeds. The AP-101 waste melter feed was charged into the CLSM for 12.14 h of processing, which produced 8.75 kg of glass, for an average glass production rate of 1530 kg m 2 d -1 . During the AP-101 waste melter feed charging, the pump used to move the feed reached a maximum and it is believed that if the pump had a greater capacity, a greater average glass production rate could have been achieved. A constituent of interest present in low quantities in the AP-101 waste is 99 Tc or its non-radioactive surrogate, Re, added to the AP-101 simulant. Analysis for the quantities of 99 Tc and Re in the AP-101 glass product resulted in an average single-pass retention from the melter feed during relative chemical steady state of 55 ± 2 % for 99 Tc and 45 ± 2 % for Re. Compared to the processing of other melter feeds, the retention of 99 Tc in the AP-101 glass was greater than in both AP-107 and AP-105 glass, while the retention of Re in the AP-101 was less than in the AP-107 glass, but greater than in the AP-105 glass. A spike of I was added into the AP-101 melter feed that could be detected above the analysis detection limits. However, the iodine was only detectable above the ~6 ppm limit in one glass pour: the pour immediately following the burn off of the cold cap, where the I level reached ~30 ppm. This event was significant because the glass was poured immediately after burn off and thus it is presumed that the iodine had yet to volatilize from the glass melt while idling. It is recommended to perform future tests with I spikes at greater levels so that it can be detected in additional glass pours to determine if the expected 50 % retention of I used in the Kim et al. glass models can be confirmed. Offgas liquid samples were analyzed for acetonitrile, which was present at greater concentrations in CLSM liquids than in other scaled melter systems. This result was expected based on unique conditions with the CLSM system including a small plenum space leading to low residence time for offgas and the rapidity of offgas cooling upon exiting the CLSM vessel due to the location and environment. About 90 % of the total acetonitrile captured during both the AP-101 simulant and waste CLSM runs was found in the offgas condensate and demister liquids, thus it is recommended that only those liquids be sent for analysis if future testing to study the presence of acetonitrile in offgas products is desired.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗