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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

CONSTRAINT-INDEPENDENT CONSTANT CTOA DETERMINATION FOR DUCTILE STABLE CRACK GROWTH

Crack tip opening angle (CTOA) has been used as a reliable fracture toughness parameter for decades to characterize stable ductile crack growth for thin-walled aerospace structures in the low-constraint conditions. Recently, the CTOA parameter was also applied to the pipeline industry, and a CTOA test standard ASTM E3039 was thus developed for testing a critical constant CTOA. Research showed that the constant CTOA can reasonably describe fracture toughness required to arrest a dynamic crack propagation for a modern gas pipeline. However, the CTOA fracture criterion requires constraint-independent CTOA toughness against stable ductile crack growth. ASTM E3039 recommends a drop weight tearing test (DWTT) specimen for CTOA testing. Since a shallow crack is used, DWTT measured CTOA may depend on constraint level at the crack tip. To understand if it is the case, this paper evaluates the critical CTOA for a set of fracture toughness tests on single edge notched bend (SENB) specimens with shallow and deep cracks based on four CTOA estimation models. In which, the Ln(P)-LLD linear fit model is similar to that used by ASTM E3039 in the CTOA calculation. Fracture test data for X80 pipeline steel and HY80 structural steel are considered in the CTOA evaluation. The results show that the four CTOA models can determine a crack size-independent constant CTOA over stable ductile crack growth for the SENB specimens. As a result, CTOA determined by ASTM E3039 is constraintindependent and transferable to use for an actual crack propagating in a gas pipeline.

Zhu, Xian-Kui↗
DOE OSTI2021

The development of rainfall retrievals from radar at Darwin

Abstract. The U.S. Department of Energy Atmospheric Radiation Measurement program Tropical Western Pacific site hosted a C-band polarization (CPOL) radar in Darwin, Australia. It provides 2 decades of tropical rainfall characteristics useful for validating global circulation models. Rainfall retrievals from radar assume characteristics about the droplet size distribution (DSD) that vary significantly. To minimize the uncertainty associated with DSD variability, new radar rainfall techniques use dual polarization and specific attenuation estimates. This study challenges the applicability of several specific attenuation and dual-polarization-based rainfall estimators in tropical settings using a 4-year archive of Darwin disdrometer datasets in conjunction with CPOL observations. This assessment is based on three metrics: statistical uncertainty estimates, principal component analysis (PCA), and comparisons of various retrievals from CPOL data. The PCA shows that the variability in R can be consistently attributed to reflectivity, but dependence on dual-polarization quantities was wavelength dependent for 1 10mmh-1. Rainfall estimates during these conditions primarily originate from deep convective clouds with median drop diameters greater than 1.5 mm. An uncertainty analysis and intercomparison with CPOL show that a Colorado State University blended technique for tropical oceans, with modified estimators developed from video disdrometer observations, is most appropriate for use in all cases, such as when 1 10mmh-1 (deeper convective rain).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Thermal Optimization of a Silicon Carbide, Half-Bridge Power Module

This project describes the modeling process to design the packaging and heat exchanger for a half-bridge wide-bandgap (WBG) power semiconductor module. The module uses two silicon carbide, metal-oxide-semiconductor field-effect transistor (MOSFET) devices per switch position that are soldered to an aluminum nitride, direct-bond copper (DBC) substrate. A baseplate cooling configuration (e.g., no thermal grease) is used along with a water-ethylene glycol, jet-impingement-style heat exchanger. The heat exchanger was designed to be fabricated using prototyping equipment from the National Renewable Energy Laboratory, complies with automotive standards (for minimal channel sizes, flow rates, and coolant), and considers reliability aspects (i.e., erosion/corrosion). Device-scale computational fluid dynamics (CFD) is used first to design the slot jet impingement cooling configuration and compute the effective heat transfer coefficient (HTC) of the concept. The computed HTCs are then used as boundary conditions for a finite element study to optimize the package geometry (e.g., device layout and baseplate thickness) to minimize thermal resistance and minimize temperature variation between the module's four devices. Finally, a fluid manifold is designed to generate the slot jets and cool the devices. Module-scale CFD predicts a relatively low junction-to-fluid thermal resistance of 16.7 mm2 K/W, a 1.4 degrees C temperature variation between devices, and a total pressure drop of 5,860 Pa (0.85 psi) for the design. The thermal resistance of the module design is about 67% lower than the 2015 BMW i3 power electronics/modules thermal resistance.

DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Type-I ELM mitigation by continuous lithium granule gravitational injection into the upper tungsten divertor in EAST

Large edge-localized modes (ELMs) were mitigated by gravitational injection of lithium granules into the upper X-point region of the EAST device with tungsten plasma-facing components. The maximum ELM size was reduced by ~ 70% in high βN H-mode plasmas. Large ELM stabilization was sustained for up to about 40 energy confinement times, with constant core radiated power and no evidence of high-Z or low-Z impurity accumulation. The lithium granules injection reduced the edge plasma pedestal density and temperature and their gradients, due to increased edge radiation and reduced recycling from the plasma-facing components. Ideal stability calculations using the ELITE code indicate that the stabilization of large ELMs correlates with improved stability of intermediate-n peeling-ballooning modes, due to reduced edge current resulting from the profile changes. The pedestal pressure reduction was partially offset by a core density increase, which resulted in a modest ~ 7% drop in core stored energy and normalized energy confinement time. We surmise that the remnant small ELMs are triggered by the penetration of multiple Li granules just past the separatrix, similar to small ELMs triggered by deuterium pellet [S. Futatani et al., Nucl. Fusion 54 (2014) 073008]. This study extends previous ELM elimination with Li powder injection [R. Maingi et al., Nucl. Fusion 58 (2018) 024003] in EAST because 1) use of small, dust-like powder and the related potential health hazards were eliminated, and 2) use of macroscopic granules should be more applicable to future devices, due to deeper penetration than dust particles, e.g. inside the separatrix with velocities ~ 10 m/s in EAST.

EAST↗
DOE OSTI2025

Neutron generation dynamics inside a MA-class dense plasma focus Z-pinch

Dense plasma focii (DPFs) are appealing as energy efficient sources of short pulses of ions, neutrons, and x rays. The output of these sources is expected to scale with input current (I4), but has been shown to drop at the MA level [S. K. H. Auluck, “On the failure of neutron yield scaling in the dense plasma focus,” Phys. Plasmas 30, 080701 (2023)]. New results on the MegaJOuLe Neutron Imaging Radiography DPF showed neutron yield production in agreement with the input current scaling beyond the previously observed drop. This work provides insight into the pinch formation on a DPF and reports on the two different mechanisms leading to neutron generation inside a DPF using a combination of kinetic simulations and experimental data. A combination of particle-in-cell (PIC) and 1D shock theory results are used to describe the pinch formation and disassembly and the corresponding thermonuclear and beam-target mechanisms. The temporal evolution of the pinch column predicted by the PIC simulations shows qualitative agreement with the experimental data from plasma photon emission as well as temporal neutron pulse shapes. In MJ-class DPFs, both thermonuclear and beam-target mechanisms can occur over the course of the implosion and contribute to the total neutron production. Hence the neutron source size of a DPF will change throughout the implosion. Experimental neutron radiographs show the increase in source size as the pinch breaks apart, in agreement with simulation's prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Type-I ELM mitigation by continuous lithium granule gravitational injection into the upper tungsten divertor in EAST

Large edge-localized modes (ELMs) were mitigated by gravitational injection of lithium granules into the upper X-point region of the experimental advanced superconducting tokamak (EAST) device with tungsten plasma-facing components. The maximum ELM size was reduced by ~70% in high β N H-mode plasmas. Large ELM stabilization was sustained for up to about 40 energy confinement times, with constant core radiated power and no evidence of high-Z or low-Z impurity accumulation. The lithium granules injection reduced the edge plasma pedestal density and temperature and their gradients, due to increased edge radiation and reduced recycling from the plasma-facing components. Ideal stability calculations using the ELITE code indicate that the stabilization of large ELMs correlates with improved stability of intermediate-n peeling-ballooning modes, due to reduced edge current resulting from the profile changes. The pedestal pressure reduction was partially offset by a core density increase, which resulted in a modest ~7% drop in core stored energy and normalized energy confinement time. We surmise that the remnant small ELMs are triggered by the penetration of multiple Li granules just past the separatrix, similar to small ELMs triggered by deuterium pellet Futatani et al (2014 Nucl. Fusion 54 073008). This study extends previous ELM elimination with Li powder injection Maingi et al (2018 Nucl. Fusion 58 024003) in EAST because (1) use of small, dust-like powder and the related potential health hazards were eliminated, and (2) use of macroscopic granules should be more applicable to future devices, due to deeper penetration than dust particles, e.g. inside the separatrix with velocities ~10 m s -1 in EAST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

High Solids Performance Testing in a Scaled TSCR System

The Tank Side Cesium Removal (TSCR) project is a technology demonstration that will pretreat Hanford tank waste supernatant in support of the Direct Feed Low-Activity Waste (DFLAW) mission. The TSCR system employs two key separation technologies: dead-end filtration (DEF) and ion exchange (IX) using crystalline silicotitanate (CST) media. DEF will be used to remove undissolved solids from tank waste to protect the functionality of the IX columns and the IX system will remove Cs-137 from tank waste. The separation technologies (DEF and IX) used in TSCR are technically mature and have also been successfully deployed at the Savannah River site in a similar facility known as the Tank Closure Cesium Removal (TCCR) system. While testing with simulants and real waste has been successfully performed under conditions expected during the initial operation of TSCR, test data is absent for assessing off normal high solids loading that may be in the TSCR waste feed. Normal TSCR treatment operations are expected to handle wastes with solids content on the order of 200 ppm, and off normal solids loading could be much larger than the nominal level. The testing program described in this report was conducted to understand the consequence of operating the TSCR system at elevated solids loadings up to the high-solids limit of 15,000 ppm [i.e., 1.5-wt%] identified in the TSCR design basis. Although the system is not required to make throughput above the nominal solids loading, the testing was intended to provide important information related to potential off normal operations. At off normal levels near the high-solids limit, there are potential implications for TSCR performance in the areas of throughput, DEF pressure drop, filter backflush frequency, and IX column pressure drop. In addition, intrusion of solids into the IX column was postulated to impact the Cs-137 loading behavior by promoting channeling or flow maldistribution in the column; since the magnitude of the postulated effect was unknown, assessing it was also of interest. The testing was performed using representative waste simulants and a prototypic, integrated TSCR system designed and assembled specifically to conduct the high solids performance assessment. Overall, the scaled TSCR testing demonstrated that full-scale unit operations can succeed in fulfilling their processing objectives in the presence of solids up to 3,000 ppm, but there are potential performance challenges to filtration operations at solids loadings as low as ~500 ppm. The severity of the challenge is likely to be dependent on the type and size distribution of solids, of which the current testing only examined a single type and size distribution. To provide some flexibility for future full-scale operations, the results of the testing suggest two possible risk reduction strategies that can be implemented without any changes in TSCR design or configuration. One option would be to enact an administrative limit on the solids loading to protect TSCR from feeds that are likely to require a high DEF swap frequency. Another option is to permit operation of the DEFs at differential pressures greater than 2 psid before swapping filters. The selection of a higher differential pressure target is not anticipated to adversely impact DEF backflushing efficacy and would reduce both swap frequency and the amount of waste sent to AP-108.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers (Final Technical Report)

This report summarizes the carbon capture research and development conducted by The State University of New York at Buffalo (UB) and GTI Energy (GTI) for award “DE-FE0031969: Direct Air Capture Using Trapped Small Amines in Hierarchical Nanoporous Capsules on Porous Electrospun Fibers” sponsored by the U.S. Department of Energy (DOE). The objective of this project is to develop an innovative sorbent structure of trapped small amines in HNC embedded in PEF for DAC. This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An innovative sorbent structure of trapped small amines in hierarchical nanoporous capsules (HNC) embedded in porous electrospun fibers (PEF) was developed for direct air capture (DAC). This involves tailoring both sorbent and PEF materials to achieve a compact system for DAC with high capacity for CO 2 at concentrations typically available in air and at near ambient conditions. An interfacial polymerization process was developed, which utilized loaded amines inside mesoporous silica and trimesoyl chloride (TMC) dissolved in organic solvents as the precursors, to generate a polyamide (PA) coating layer on mesoporous silica and thus trap amines. Reaction conditions, including TMC concentration, organic solvents, reaction time, etc., for interfacial polymerization were optimized to effectively trap loaded amines, and cyclic heating-cooling operation was conducted to evaluate the coating quality. Larger pore volume mesoporous silica was also synthesized to increase amine loading and thus increase CO 2 capacity. The optimized sorbent material exhibited CO 2 capacity as high as 4.88 mmol/g under humid DAC conditions and negligible loss (<1%) during 10 cyclic heating-cooling operations. The optimized PA-coated sorbent also showed fast adsorption and desorption kinetics, with <20% t1/2 increase compared to uncoated sorbent. PEF fabrication conditions, including organic solvents for dissolving core and shell polymers, voltage, distance from the nozzle to the collection panel, etc. were adjusted to better incorporate HNC. After incorporating the optimized sorbent material into PEF, the structured sorbent had a CO 2 capacity of approximately 4.0 mmol/g under humid DAC conditions, with capacity loss of 0.17% per cycle and t1/2 increase less than 10%. A techno-economic analysis (TEA) for the process design for a DAC system based on our developed sorbent structure of trapped small amines in HNC embedded in PEF was conducted. The process design included process description and major equipment sizing and energy and mass balances in addition to scale-up research results and estimated capture cost. Aspen Adsorption Simulator was used to fit the experimentally measured breakthrough curves and extract equilibrium and kinetic data of the optimized sorbent. Our results indicated that for a DAC plant with CO 2 productivity of 3,000 tonne/year, the levelized cost of CO 2 capture was $\$$612/tonne, with the largest contribution of 44.33% from the fixed operation cost. Increasing CO 2 productivity, while maintaining similar fixed operation cost, is expected to significantly reduce the CO 2 capture cost. A sensitivity study was also conducted to understand the influence of total plant cost, sorbent cost, CO 2 concentration in the feed, sorbent mat lifetime, sorbent regeneration electricity, and adsorption blower pressure drop on the levelized cost of CO 2 capture, revealing a capture cost range of $\$$520-870/tonne.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structure and Stability of the Ionic Liquid Clusters [EMIM]n[BF4]n+1- (n = 1 – 9): Implications for Electrochemical Separations

Precise functionalization of electrodes with size-selected ionic liquid (IL) clusters may improve the application of ILs in electrochemical separations. Herein, we report our combined experimental and theoretical investigation of the IL clusters [EMIM]????[BF4]????+1- (n = 1 – 9) and demonstrate their selectivity and efficiency towards targeted adsorption of molecules from solution. The structures and energies of the IL clusters, predicted with global optimization, agree with and help interpret the ion abundances and stabilities measured by high mass resolution electrospray ionization mass spectrometry and collision induced dissociation experiments. The [EMIM][BF4]2- cluster, which was identified as the most stable IL cluster, was selectively soft landed onto a working electrode. Electrochemical impedance spectroscopy revealed a lower charge transfer resistance on the soft-landed electrode containing [EMIM] [BF_4 ]_2^- compared to an electrode prepared by drop casting of IL solution, which contains the full range of IL clusters. Our findings indicate that specific IL clusters may be used to increase the efficiency of electrochemical separations by lowering the overpotentials involved.

Zhang, Jun↗
DOE OSTI2023

Experimental Characterization of an Additively Manufactured Inconel 718 Heat Exchanger for High-Temperature Applications

This work presents the experimental results of a novel, air-to-air, additively manufactured manifold-microchannel heat exchanger with straight fins on both sides. The heat exchanger was made of Inconel 718 using a direct metal laser sintering technique. The overall core size of the heat exchanger was 94 mm × 87.6 mm × 94.4 mm, with a fin thickness of 0.220 mm on both the hot and cold sides. The heat exchanger was tested with pressurized nitrogen gas at 300 °C and 340 kPa for the hot side, while air at an ambient condition was used for the cold side. An overall heat transfer of 276 W/m2K was obtained for Reynolds number values of 132 and 79 for the cold and hot sides, respectively. A gravimetric heat transfer density (Q/m∆T) of 4.7–6.7 W/kgK and a volumetric heat transfer density (Q/V∆T) of 6.9–9.8 kW/m3K were recorded for this heat exchanger with a coefficient of performance value that varied from 42 to 52 over the operating conditions studied here. The experimental pressure drop results were within 10% of the numerical values, while the corresponding heat transfer results were within 17% of the numerical results, mainly due to imperfections in the fabrication process. Despite this penalty, the performance of the tested heat exchanger was superior to the conventional plate-fin heat exchangers: more than 60% of improvements in both gravimetric and volumetric heat transfer densities were recorded for the entire range of experimental data.

42 ENGINEERING↗
DOE OSTI2024

Shapiro steps and stability of skyrmions interacting with alternating anisotropy under the influence of ac and dc drives

Here we use atomistic simulations to examine the sliding dynamics of a skyrmion in a two-dimensional system containing a periodic one-dimensional stripe pattern of variations between low and high values of the perpendicular magnetic anisotropy. The skyrmion changes in size as it crosses the interface between two anisotropy regions. On applying combined dc and ac driving in either parallel or perpendicular directions, we observe a wide variety of Shapiro steps, Shapiro spikes, and phase-locking phenomena. The phase-locked orbits have two-dimensional dynamics due to the gyrotropic or Magnus dynamics of the skyrmions and are distinct from the phase-locked orbits found for strictly overdamped systems. Along a given Shapiro step when the ac drive is perpendicular to the dc drive, the velocity parallel to the ac drive is locked while the velocity in the perpendicular direction increases with increasing drive to form Shapiro spikes. At the transition between adjacent Shapiro steps, the parallel velocity jumps up to the next step value, and the perpendicular velocity drops. The skyrmion Hall angle shows a series of spikes as a function of increasing dc drive, where the jumps correspond to the transition between different phase-locked steps. At high drives, the Shapiro steps and Shapiro spikes are lost. When both the ac and dc drives are parallel to the stripe periodicity direction, Shapiro steps appear, while if the dc drive is parallel to the stripe periodicity direction and the ac drive is perpendicular to the stripe periodicity, then there are only two locked phases, and the skyrmion motion consists of a combination of sliding along the interfaces between the two anisotropy values and jumping across the interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Baselining the Indirect Effect by Improving Quantification of Sea Spray and Marine Sources at Ascension Island (Final Report)

Oceans cover two-thirds of the Earth and understanding the interactions of aerosols with clouds in these large marine regions requires quantifying the man-made contributions to the budget of cloud-drop forming particles (known as cloud condensation nuclei, or CCN) relative to the non-manmade “baseline” conditions and understanding the meteorology of boundary layer clouds. Modeling studies have shown substantial uncertainties and sensitivities to natural marine CCN sources, meaning that to reduce uncertainties in indirect effects we must be able to better quantify the CCN budget in ocean regions. While models provide important constraints on these uncertainties, actually reducing uncertainties requires substantial observations in open-ocean and coastal regions in order to establish the baseline on which manmade emissions are added. The tropical South Atlantic Ocean is one of the least-sampled regions of the planet, making the comprehensive measurements of the Department of Energy Atmospheric Radiation Measurement Layered Atlantic Smoke Interactions with Clouds (LASIC) campaign provides the longest record of aerosol size distribution measurements from a differential mobility analyzer in a cloud-influenced marine location in the ARM database, with 17 months of ground-based aerosol size distribution measurements. This project addressed the research topic of Aerosol-Cloud Interactions (ACI) by supporting three publications from the LASIC measurements: 1. The ARM measurements were combined with a new value-added technique that was pioneered by the Russell group for quantifying sea salt. This quantification of sea salt uses supermicron scattering measurements for retrieving reasonable sea spray mass concentrations, providing the best-available, observationally-constrained estimate of the sea spray mode properties when supermicron size distribution measurements are not available. 2. The fitted modes of the distribution were used to investigate the signatures of cloud processing for very clean to very smoky aerosol conditions, revealing not only differences in the particles that activate in clouds but also in the mechanisms that control that droplet formation process. In clean air, the size required to form a cloud droplet is influenced by the number of particles, as well as how quickly particles take up water during growth in cloud. 3. Building on this aerosol characterization, cloud and meteorological conditions were used to evaluate aerosol-related changes in cloud albedo and optical depth. We introduced a new method of decomposing the impact of aerosols on clouds known as the Twomey effect by incorporating retrieved supersaturation from two independent sets of observations to constrain the feedback of aerosol particles on cloud properties. The method quantifies the reduction of the Twomey effect at high aerosol concentrations, which has never been explained quantitatively by observations. In addition, the results provide the first direct validation for the conditions observed in the tropical South Atlantic of a parcel-based approach that is embedded in many climate models. Together these findings illustrate how ARM extended field campaigns in stratocumulus-covered regions can be used to constrain ACI processes with direct observations, providing specific radiative effects without models. By making such process-specific constraints available to improve ACI in global climate models, ARM observations play a key role in supporting model development.

58 GEOSCIENCES↗
DOE OSTI2026

Towards Commercialization of Low-Cost, Crack-Tolerant, Screen-Printable Metallization by Full-Size Module Testing and Field Characterization

This project is motivated by the need to develop a materials engineering solution to reduce solar module degradation caused by cell cracks. The cell-crack-induced power loss is a long-term degradation mechanism and one of the main causes of solar panel field failures. Cell cracks can occur during module fabrication, transportation, installation, and long-term operation due to thermomechanical stressors. Our team’s internal estimation – based on the national weather pattern, frequency of severe weather, and 39- GW asset survey by Heliolytics – reveals that the cell-crack-induced module degradation translates to lost revenues >$17B over an average 5-year period for solar farm owners and to reduced reliability (<25 years panel lifetime) for solar energy consumers. In response to this challenge, the prime recipient offers a metal matrix composite (MMC) silver paste that is tailor-engineered for screen-printing gridlines and busbars, which serve as the electrical contacts on solar cells. We formulate our MMC paste by adding low-cost (∼0.02¢/WDC for research grade), surface-engineered carbon nanotubes to commercially available silver paste. The MMC paste offers a drop-in, cost-effective solution to cell cracks for solar cell and module manufacturers. The main goal of this project was to conduct field-relevant, module-level analysis and qualification of MMC metallization.

14 SOLAR ENERGY↗
DOE OSTI2025

Near-field infrared imaging of polar domain walls in Ni 3 TeO 6

Domain walls are leading platforms for the development of ultra-low power switching and memory devices due to their potential to be moved, created, and erased in real time and to mitigate heat flux. Interface vs wavelength size effects unfortunately preclude the measurement of phonons by traditional spectroscopic techniques, so it has been challenging to unravel the primary excitations of the lattice and the symmetries that they represent across these functional interfaces. In this work, we employ synchrotron-based near-field infrared nanospectroscopy to image polar domain walls in multiferroic Ni 3 TeO 6 . This is a unique platform because, in addition to hosting polar and chiral domains that are interlocked with one another, Ni 3 TeO 6 displays both charged and neutral interfaces depending upon the direction allowing the development of structure–property relations. From a local structure and a strain point of view, we find charged walls that are twice as wide as neutral walls as well as strong frequency shifts of vibrational modes across the charged walls. The near-field amplitude drops across the walls as well. We discuss these trends in terms of polarization and chirality as well as phonon lifetimes at functional interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High concentrations of ice: Investigations using polarimetric radar observations combined with in situ measurements and cloud modeling (Final Report)

This DOE-funded joint project had the over-arching goal of understanding the reasons for observed size distributions of ice particles in cold clouds. Its approach involves the use of cloud models and field observations by radar and aircraft of real storms. The project addresses three major research objectives: (1) Utilize a novel polarimetric radar technique to retrieve size distributions and amounts of ice from radar data collected during the previous DOE ARM field campaigns; (2) Evaluate the results of ice microphysical retrievals using available in situ aircraft measurements and other remote sensors (e.g., vertically pointing cloud radars and wind profilers); (3) Improve the treatment of microphysical processes leading to cloud glaciation and ice multiplication in numerical cloud models. The study was performed by three research organizations: University of Oklahoma, The Hebrew University of Jerusalem, Israel, and Lund University, Sweden. The Israel and Swedish partners were funded by the sub-awards from the University of Oklahoma. Cloud modeling studies have been performed by the research teams at The Hebrew University of Jerusalem (HUJ) and Lund University to identify the origins of high concentrations of cloud ice in areas of high ice water content (HIWC). The Hebrew University Cloud Model (HUCM) with full spectral bin microphysics and the Lund University aerosol-cloud (AC) model with a hybrid bin / bulk microphysics scheme complementing HUCM were utilized for simulations. Both research teams had particular focus on secondary ice production (SIP) as one of the possible sources of enhanced ice concentration. The HUJ group suggested a novel concept of ice multiplication during droplet freezing. It is assumed that splintering and droplet fragmentation during droplet freezing takes place because of dendritic growth within a supercooled drop. The resulting simulations of SIP generated small ice in concentrations exceeding hundreds per liter similar to what was observed in the HIWC regions of the tropical storms. The Lund team explored the SIP mechanisms such as breakup of ice particles due to ice-ice collisions and ice sublimation that are expected to dominate the continental storms. They also quantified the impact of homogeneous nucleation of cloud droplets on the total number concentration of ice at very low temperatures near the tops of the clouds. Additionally, the Lund AC model is able to simulate the effect of aerosols of various types (including biological) on the cloud life cycle and the corresponding ice production. The HUCM / AC model was used to simulate one of the “golden” cases of the DOE MC3E campaign on 20 May 2011. The model output was converted into the fields of polarimetric radar variables using the polarimetric radar forward operator developed at the University of Oklahoma and compared with radar observations and in situ microphysical measurements onboard research aircraft. It was demonstrated that specific differential phase KDP is the best radar parameter to identify the HIWC areas and quantify the corresponding ice parameters. For the first time, the shape of the vertical profile of KDP was realistically reproduced by the cloud model with the KDP maximum in the dendritic growth layer (DGL) centered at the -15°C isotherm. The University of Oklahoma team has developed a methodology for polarimetric radar retrievals of such microphysical parameters of ice as ice water content (IWC), mean volume diameter (Dm), and total number concentration (Nt) of ice particles. These retrievals have been validated using in situ aircraft measurements during 6 field campaigns and proved to be quite robust and reliable. This allowed to build the first climatology of the vertical profiles of polarimetric radar variables and retrieved microphysical parameters for the three types of weather systems: continental MCSs, maritime MCSs, and tropical cyclones / hurricanes (Hu and Ryzhkov 2022). The data were collected by a multitude of the WSR-88D radars in 13 continental and 10 maritime MCSs and 11 landfalling hurricanes. The HIWC areas were identified within the examined storms and the corresponding “HIWC statistics” was compared with the “background” one without HIWC. An overarching conclusion of the study is that maritime tropical storms (MCSs and hurricanes) are characterized by smaller size ice in higher concentration compared to the continental MCSs. High ice water content in the HIWC areas is primarily caused by a strong jump in a number concentration of ice particles rather than the increase of their size compared to the “background” environment. This may point to the homogeneous nucleation of excessive amounts of supercooled droplets and / or secondary ice production as the possible origins of HIWC. Such a climatology provides a good observational reference for the modelers to evaluate the performance of their models. As an example, the in-depth analysis of the 20 May 2011 MC3E case shows that the advanced cloud models developed in the course of this study still tend to underestimate the number concentration of ice in the HIWC areas although they succeed in reproducing realistically looking vertical profiles of IWC and Nt. The results of the project research are summarized in 13 journal papers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals

The crystallization of recombinant proteins in living cells is an exciting new approach in structural biology. Recent success has highlighted the need for fast and efficient diffraction data collection, optimally directly exposing intact crystal-containing cells to the X-ray beam, thus protecting the in cellulo crystals from environmental challenges. Serial femtosecond crystallography (SFX) at free-electron lasers (XFELs) allows the collection of detectable diffraction even from tiny protein crystals, but requires very fast sample exchange to utilize each XFEL pulse. Here, an efficient approach is presented for high-resolution structure elucidation using serial femtosecond in cellulo diffraction of micometre-sized crystals of the protein HEX-1 from the fungus Neurospora crassa on a fixed target. Employing the fast and highly accurate Roadrunner II translation-stage system allowed efficient raster scanning of the pores of micro-patterned, single-crystalline silicon chips loaded with living, crystal-containing insect cells. Compared with liquid-jet and LCP injection systems, the increased hit rates of up to 30% and reduced background scattering enabled elucidation of the HEX-1 structure. Using diffraction data from only a single chip collected within 12 min at the Linac Coherent Light Source, a 1.8 Å resolution structure was obtained with significantly reduced sample consumption compared with previous SFX experiments using liquid-jet injection. This HEX-1 structure is almost superimposable with that previously determined using synchrotron radiation from single HEX-1 crystals grown by sitting-drop vapour diffusion, validating the approach. This study demonstrates that fixed-target SFX using micro-patterned silicon chips is ideally suited for efficient in cellulo diffraction data collection using living, crystal-containing cells, and offers huge potential for the straightforward structure elucidation of proteins that form intracellular crystals at both XFELs and synchrotron sources.

Lahey-Rudolph, J. Mia (ORCID:0000000152797267)↗
DOE OSTI2022

The edges of galaxies: Tracing the limits of star formation

The outskirts of galaxies have been studied from multiple perspectives for the past few decades. However, it is still unknown if all galaxies have clear-cut edges similar to everyday objects. We address this question by developing physically motivated criteria to define the edges of galaxies. Based on the gas density threshold required for star formation, we define the edge of a galaxy as the outermost radial location associated with a significant drop in either past or ongoing in situ star formation. We explore ~1000 low-inclination galaxies with a wide range in morphology (dwarfs to ellipticals) and stellar mass (10 7 M ⊙ < M * < 10 12 M ⊙ ). The location of the edges of these galaxies (R edge ) were visually identified as the outermost cutoff or truncation in their radial profiles using deep multi-band optical imaging from the IAC Stripe82 Legacy Project. We find this characteristic feature at the following mean stellar mass density, which varies with galaxy morphology: 2.9 ± 0.10 M ⊙ pc -2 for ellipticals, 1.1 ± 0.04 M ⊙ pc -2 for spirals, and 0.6 ± 0.03 M ⊙ pc -2 for present-day star-forming dwarfs. Additionally, we find that R edge depends on its age (colour) where bluer galaxies have larger R edge at a fixed stellar mass. The resulting stellar mass–size plane using R edge as a physically motivated galaxy size measure has a very narrow intrinsic scatter (≲0.06 dex). These results highlight the importance of new deep imaging surveys to explore the growth of galaxies and trace the limits of star formation in their outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Flaw Tolerance Assessment for DOE Standard SNF Dry Storage Canisters - 26550

The U.S. DOE has designed four spent nuclear fuel (SNF) dry storage canisters for storing DOE standardized SNFs. The DOE standard canisters are cylindrical shells with a diameter of 24 inches (610 m) or 18 inches (457 m), a wall thickness of 0.5 inches (12.7 m) or 0.375 inches (9.53 m), and a length of 15 feet (4.57 m) or 10 feet (3.05 m). These DOE canister geometries are completely different from commercial canisters. The latter may experience chloride-induced stress cracking corrosion (CI-SCC) because they are stored near coastal regions. The former may not experience CI-SCC but face different challenges because they are stored in the SNF storage facilities. Because of large residual stresses, mechanical flaws may occur in the DOE canisters during long-distance transportation or lifting handling. To date, only limited structural integrity analyses were carried out through drop tests on the DOE canisters, but a more general flaw tolerance assessment has not been performed. Therefore, the failure assessment diagram (FAD)-based fracture mechanics method, as codified by the latest API 579-1/ASME FFS-1-2021 Edition, is adopted in this work to assess surface flaw tolerance for DOE canisters under operation loading and welding residual stresses (WRS), where the new code-recommended WRS distributions are used. To more adequately consider the transverse distribution of WRS, an equivalent WRS distribution is proposed to account for the WRS reduction with distance from the weld centerline. Moreover, the closed-form solutions of stress intensity factor K, which serves as the crack driving force during subcritical crack growth, are developed from the tabular data of the K factors provided in API 579-1/ASME FFS-1 and used to determine more accurate flaw sizes at flaw instability. Subsequently, the Level 2 assessment procedures with 12 assessment steps, as codified and detailed in API 579-1 and ASME FFS-1, are followed to assess the flaw tolerance for the surface flaws in the DOE standard canisters with consideration of normal or accident operation loads combined with WRS. The assessment results show that the four designs of DOE standard canisters can tolerate all surface flaws that meet the code permitted maximum sizes of a flaw length of 8 inches (i.e., 200 mm) and a flaw depth of 80% wall thickness. This demonstrates that all designs of DOE standard canisters are robust and reliable.

DOE standard canister↗