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At least 19 records

Singe Library Review: XCAP Review Report

Singe is a computational library for simulating thermonuclear reactions written in C++14. It was inspired by the earlier Singe library, developed by Joann Campbell. From the beginning of the Singe project, the goal has been to create a library that provides the necessary functionality, runs efficiently, and is flexible enough to connect to a variety of multi-physics host codes. Such a library allows subject-matter experts to focus on development within the library, while library staff can support host-code staff in integrating Singe into their multi-physics codes. A common library used across multiple multi-physics codes allows those subject-matter experts to roll out new features to all host codes simultaneously, and eases the process of code-to-code comparison between codes that are leveraging the same physics in different ways. The Singe effort was established by Joann Campbell, who provided significant guidance on the goals, requirements, and philosophy of the library. It has been developed by Brendan K. Krueger, CJ Solomon, Jesse Canfield, and Terry Adams, with computer science support from Tyler Reddy and Karen Tsai. Discussions with multiple potential stakeholders have been critical to the planning of such a cross-cutting project, including representatives from multiple host codes and Brian Haines who helped define usage and needs for the inertial confinement fusion (ICF) program. This document is based on the XCAP review process. It is an updated version of the initial document distributed to the reviewers, memo XCP-2:21-005. We want to acknowledge the time and effort of the reviewers who participated in this process: Philipp Edelmann, Alan Harrison, Christopher Malone, Edward Norris, Ryosuke Park, Galen Shipman, CJ Solomon, and any others who may have contributed to the feedback that was provided to us.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling X-Ray Binary Evolution in Normal Galaxies: Insights from SINGS

We present the largest-scale comparison to date between observed extragalactic X-ray binary (XRB) populations and theoretical models of their production. We construct observational X-ray luminosity functions (oXLFs) using Chandra observations of 12 late-type galaxies from the Spitzer Infrared Nearby Galaxy Survey (SINGS). For each galaxy, we obtain theoretical XLFs (tXLFs) by combining XRB synthetic models, constructed with the population synthesis code StarTrack, with observational star formation histories (SFHs). We identify highest-likelihood models both for individual galaxies and globally, averaged over the full galaxy sample. Individual tXLFs successfully reproduce about half of oXLFs, but for some galaxies we are unable to find underlying source populations, indicating that galaxy SFHs and metallicities are not well matched and/or XRB modeling requires calibration on larger observational samples. Given these limitations, we find that best models are consistent with a product of common envelope ejection efficiency and central donor concentration approx.. = 0.1, and a 50% uniform - 50% "twins" initial mass-ratio distribution. We present and discuss constituent subpopulations of tXLFs according to donor, accretor and stellar population characteristics. The galaxy-wide X-ray luminosity due to low-mass and high-mass XRBs, estimated via our best global model tXLF, follows the general trend expected from the L(sub X) - star formation rate and L(sub X) - stellar mass relations of Lehmer et al. Our best models are also in agreement with modeling of the evolution both of XRBs over cosmic time and of the galaxy X-ray luminosity with redshift.

Normal Galaxies↗

SING (Synthetic dIstribution Network Generator) [SWR-22-57]

Synthetic dIstribution Network Generator is a standalone python module that is able to create synthetic distribution models for OpenDSS using GIS datasets. The software uses road and building information from OpenStreetMaps to generate these synthetic models.

Latif, Aadil↗

Terrestrial Microgravity Model and Threshold Gravity Simulation sing Magnetic Levitation

What is the threshold gravity (minimum gravity level) required for the nominal functioning of the human system? What dosage is required? Do human cell lines behave differently in microgravity in response to an external stimulus? The critical need for such a gravity simulator is emphasized by recent experiments on human epithelial cells and lymphocytes on the Space Shuttle clearly showing that cell growth and function are markedly different from those observed terrestrially. Those differences are also dramatic between cells grown in space and those in Rotating Wall Vessels (RWV), or NASA bioreactor often used to simulate microgravity, indicating that although morphological growth patterns (three dimensional growth) can be successiblly simulated using RWVs, cell function performance is not reproduced - a critical difference. If cell function is dramatically affected by gravity off-loading, then cell response to stimuli such as radiation, stress, etc. can be very different from terrestrial cell lines. Yet, we have no good gravity simulator for use in study of these phenomena. This represents a profound shortcoming for countermeasures research. We postulate that we can use magnetic levitation of cells and tissue, through the use of strong magnetic fields and field gradients, as a terrestrial microgravity model to study human cells. Specific objectives of the research are: 1. To develop a tried, tested and benchmarked terrestrial microgravity model for cell culture studies; 2. Gravity threshold determination; 3. Dosage (magnitude and duration) of g-level required for nominal functioning of cells; 4. Comparisons of magnetic levitation model to other models such as RWV, hind limb suspension, etc. and 5. Cellular response to reduced gravity levels of Moon and Mars.

Ramachandran, N.↗

Improved Saturation Performance in High Speed Waveguide Photodetectors at 1.3 ??sing an Asymmetric InA1GaAs/InGaAsP Structure

Waveguide photodetector (WGPD) results have recently been presented demonstrating the very large bandwidth-efficiency product potential of these devices. Improved saturation and linearity characteristics are realized in waveguide p-i-n photodetectors at 1.3 ??y using an asymmetric cladding structure with InA1GaAs/InGaAsP in the anode and InGaAsP in the cathode.

multi-mode structures photocurrent saturation wave↗

Mechanical Unloading Effects Hematopoiesis and Subsequent Red Blood Cell Life Cycle Evaluated at Singe Cell Resolution

Red blood cell formation or erythropoiesis in the bone marrow and exit into circulation are known to be affected by mechanical loading. Specifically, space anemia is a condition observed during prolonged microgravity unloading in which the red blood cell (RBC) mass in circulation is reduced. However, the mechanisms causing space anemia are yet to be clearly established, but may include increased hemolysis of RBC in circulation, decreased RBC production or a combination of both factors. The presentation of space anemia is comparable to chronic anemia conditions associated with aging, disuse, and poor health. Molecular dysregulation in the RBC's life cycle is poorly defined and is a significant concern in the context of disuse anemia as mechanotransduction significantly alters of gene expression, protein synthesis and cell signaling pathways. Our study analyzes mouse single cell RNA sequencing libraries from the bone marrow, circulating blood, and spleen and integrates the RBC lineage populations from the tissues into a RBC life cycle atlas. This study also probes how age at time of spaceflight contributes to the molecular signature of space anemia. The overarching objective of the study is to develop a mechanistic understanding of space anemia and translate the findings to a better understanding of aging, disuse, and poor health-related anemia to defining the role of mechanical loading in health and devise potential therapeutic interventions. Important findings of our study are: 1) that mechanical unloading in microgravity alters the proportion of developmental RBC lineage cells, skewing toward progenitor, indicating that fewer RBCs may be present in blood; 2) that late reticulocyte number is elevated in the bone marrow of older animals, suggesting a failure to enter circulation; and 3) that the molecular signature of the circulating RBCs is not significantly altered in microgravity. However, expression markers for eryptosis and erythrophagocytosis are elevated in circulating and spleen RBCs, suggesting spaceflight may shorten the lifetime of RBCs after exit from the marrow. In conclusion our results suggest early stages of erythropoiesis proliferation and differentiation in the marrow are key factors in space anemia and mechanical loading may be a necessary step of RBC entry in circulation.

blood↗

Thermonuclear Burn in a Multiphysics Code on GPUs

Multiphysics codes links to a library called SINGE for the calculation of thermonuclear (TN) burn rates, but some current multiphysics codes do not attempt to leverage the support for parallel operation that SINGE provides. Our goal is to investigate implementations of the SINGE workflow and analyze how the use of a performance portability layer could reduce run time on CPU archi tectures while also supporting GPU architectures without requiring code modifications. We looked to the Kokkos C++ Performance Portability Ecosystem to implement hardware agnostic parallel patterns.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Ultraviolet+Infrared Star Formation Rates: Hickson Compact Groups with Swift and SPitzer

We present Swift UVOT ultraviolet (UV; 1600-3000 A) data with complete three-band UV photometry for a sample of 41 galaxies in 11 nearby (<4500 km/s) Hickson Compact Groups (HCGs) of galaxies. We use UVOT uvw2-band (2000A) photometry to estimate the dust-unobscured component, SFR(sub uv), of the total star formation rate, SFR(sub TOTAL). We use Spitzer MIPS 24 micron photometry to estimate SFR(sub IR), the component of SFR(sub TOTAL) that suffers dust extinction in the UV and is re-emitted in the IR. By combining the two components, we obtain SFR(sub TOTAL) estimates for all HCG galaxies. We obtain total stellar mass, M(sub *) estimates by means of Two Micron All Sky Survey K(sub s)-band luminosities, and use them to calculate specific star formation rates, SSFR is identical with SFR(sub TOTAL)/ M (sub *). SSFR values show a clear and significant bimodality, with a gap between low (approximately <3.2 x 10(exp -11) / yr) and high-SSFR (approximately > 1.2 x lO)exp -10)/yr) systems. We compare this bimodality to the previously discovered bimodality in alpha-IRAC, the MIR activity index from a power-law fit to the Spitzer IRAC 4.5-8 micron data for these galaxies. We find that all galaxies with alpha-IRAC <= 0 (> 0) are in the high- (low-) SSFR locus, as expected if high levels of star-forming activity power MIR emission from polycyclic aromatic hydrocarbon molecules and a hot dust continuum. Consistent with this finding, all elliptical/SO galaxies are in the low-SSFR locus, while 22 out of 24 spirals / irregulars are in the high-SSFR locus, with two borderline cases. We further divide our sample into three subsamples (I, II, and III) according to decreasing H I richness of the parent galaxy group to which a galaxy belongs. Consistent with the SSFR and alpha-IRAC bimodality, 12 out of 15 type I (11 out of 12 type III) galaxies are in the high- (low-) SSFR locus, while type II galaxies span almost the full range of SSFR values. We use the Spitzer Infrared Nearby Galaxy Survey (SINGS) to construct a comparison subsample of galaxies that (1) match HCG galaxies in J-band total galaxy luminosity and (2) are not strongly interacting and largely isolated. This selection eliminates mostly low-luminosity dwarfs and galaxies with some degree of peculiarity, providing a substantially improved, quiescent control sample. Unlike HCG galaxies, galaxies in the comparison SINGS subsample are continuously distributed both in SSFR and alpha-IRAC, although they show ranges in SFR(sub TOTAL) values, morphologies and stellar masses similar to those for HCG systems. We test the SSFR bimodality against a number of uncertainties, and find that these can only lead to its further enhancement. Excluding galaxies belonging to HCGs with three giant galaxies (triplets) leaves both the SSFR and the alpha-IRAC bimodality completely unaffected. We interpret these results as further evidence that an environment characterized by high galaxy number densities and low galaxy velocity dispersions, such as the one found in compact groups, plays a key role in accelerating galaxy evolution by enhancing star formation processes in galaxies and favoring a fast transition to quiescence.

Tzanavaris, P.↗

Employee Spotlight: Carlos Archuleta -- Bring on the baritone

A crowded theater grows silent as two performers engage in a moment filled with tension. Carlos Archuleta of Nuclear Materials Science (MST-16) portrays Tenorio in Hector Armienta’s $\textit{Bless Me, Ultima}$, an opera based upon the novel by Rudolfo Anaya. Tapping into his acting acumen, Carlos channels the malicious personality of a saloon-keeper and likely warlock named Tenorio. Tenorio is an embodiment of evil, and throughout the opera he serves as the antagonist against Ultima, the story’s main character. When Carlos begins to sing, his thundering voice reverberates across the crowd, delivering the menace of such a malevolent personality. A talented and versatile baritone, as a youngster Carlos had a strong interest in music, but in a genre decidedly different than opera.

99 GENERAL AND MISCELLANEOUS↗

Multi-catalytic active site biochar-based catalysts for glucose isomerized to fructose: Experiments and density functional theory study

In this study, this work provides an innovative method for preparing different isomerization catalysts by impregnating different proportions of MgCl 2 and AlCl 3 and combining different K compounds on cellulose-derived biochar, followed by pyrolysis. Results show MgO and Al(OH) 3 existing in 4 Mg- 1 Al-C catalyst can obtain better catalytic effect on glucose isomerization than the singe of Al presenting in 0 Mg- 1 Al-C catalyst. Moreover, the synergism effects of the multi-catalytic active sites such as β-, γ -Al(OH) 3 , KCl, MgO, and K 4 H 2 (CO 3 ) 3 in Mg-Al-KHCO 3 -C catalyst can further lead to an increase in glucose isomerization, compared to the 4 Mg- 1 Al-C catalyst. The X-ray diffraction results present that the value of O/Al in Mg-Al-KHCO 3 -C catalyst is as high as 13.38, which provides many unsaturated acidic catalysis sites and benefits the glucose isomerization. Simultaneously, the TPD results reveal that the main active sites (MgO, Al(OH) 3 , and K 4 H 2 (CO 3 ) 3 ) in Mg-Al-KHCO 3 -C catalyst can provide weakly acidic and basic sites and avoid strongly acidic and basic sites to excessively attack the glucose. Based on the DFT analysis, the results indicate that the MgO has a great effect on the ring-opening reaction to form acyclic glucose, while Al(OH) 3+ has a great effect on promoting acyclic glucose hydrogen transfer isomerized to form fructose. Compared to other carbon-based metal catalysts, the prepared Mg-Al-KHCO 3 -C has excellent catalytic performance, which gives a higher fructose yield (38.7%) and selectivity (87.72%) and glucose conversion (44.12%) at 100 °C in 30 min. In this study, we develop a highly efficient Mg-Al-K-biochar catalyst for glucose isomerization and provide an efficient method for cellulose valorization.

36 MATERIALS SCIENCE↗

Size dependent infectivity of SARS-CoV-2 via respiratory droplets spread through central ventilation systems

In this work, we evaluate the transport of respiratory droplets that carry SARS-CoV-2 through central air handling systems in multiroom buildings. Respiratory droplet size modes arise from the bronchioles representing the lungs and lower respiratory tract, the larynx representing the upper respiratory tract including vocal cords, or the oral cavity. The size distribution of each mode remains largely conserved, although the magnitude of each droplet mode changes as infected individuals breathe, speak, sing, laugh, cough, and sneeze. Here we evaluate how each type of respiratory droplet transits through central ventilation systems and the implications thereof for infectivity of COVID-19. We find that while larger oral droplets can transmit through the air handling systems, their size and concentration are greatly reduced with but few oral droplets leaving the source room. In contrast, the smaller droplets that originate from the bronchioles and larynx are much more effective in transiting through the air handling system into connected rooms. This suggests that the ratio of lower respiratory or deep lung infections may increase relative to upper respiratory infections in rooms connected by central air handling systems. Also, increasing the temperature and humidity in the range considered after the droplets have achieved an “equilibrium” size reduces the probability of infection.

60 APPLIED LIFE SCIENCES↗

In-situ visualization of corrosion behavior of Al CoCrFeNi high-entropy alloys during electrochemical polarization

In this study, the corrosion behavior of the Al x CoCrFeNi (x = 0.3, 0.5, 0.7) high-entropy alloys (HEAs) is investigated by an in-situ visualization system. Surface morphology changes on both micro-spatial and temporal scales are monitored in the 3.5 wt% NaCl solution during the potentiodynamic polarization. The microstructures of the Al x CoCrFeNi HEAs are characterized by SEM, EBSD, and EDS. The results show that the microstructure evolves from singe face-centered cubic (FCC) phase to multi-phases by increasing the Al content. The in-situ observations directly reveal the different localized corrosion processes in the AlxCoCrFeNi HEAs. In the single FCC phase Al 0.3 CoCrFeNi HEA, localized corrosion shows in the form of pitting. In the Al 0.5 CoCrFeNi and Al 0.7 CoCrFeNi alloys, which possess FCC and body-centered cubic (BCC) phases, the localized corrosion initiates and propagates in the Cr-depleted BCC phase. In addition, the in-situ visualization uncovers the evolution of current serration, which represents the propagation and repassivation of metastable pit during the polarization. The frequent occurrence of metastable pits indicates distinct repassivation ability of the Al 0.3 CoCrFeNi HEA.

36 MATERIALS SCIENCE↗

The Influence of Charge Correlation and Ion Solvation on the Phase Behavior of Single-Ion Conducting Polymer Blend Electrolytes Using SAXS/SANS

Single-ion conducting polymer blends (SICPBs) have demonstrated exceptional electrochemical performance as solid-state battery electrolytes; however, their nanoscale morphology and thermodynamic behavior remain unexplored. In this work, we investigate blends composed of deuterated poly(ethylene oxide) and poly[lithium sulfonyl(trifluoromethane sulfonyl)imide methacrylate], dPEO/P(LiMTFSI), and report the first experimental study of the nanostructures of charge-neutral polymer blends using small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Despite the macroscopic miscibility indicated by a single glass-transition temperature, SANS and SAXS results reveal disordered, charge-correlated nanostructures that are strongly influenced by blend composition and temperature. At low concentrations of charge polymer, the scattering is dominated by concentration fluctuations, and the random phase approximation is applied to extract values of the Flory–Huggins interaction parameter, χ SC . At higher charged polymer content, concentration fluctuations are suppressed, and a correlation model is used to characterize the nanostructures of the charge correlations. We find that the structures of the charge correlations are highly dependent on blend composition─consistent with predictions from Sing’s self-consistent field theory-liquid state models. Understanding these features is essential for uncovering the ion transport mechanism that leads to improved electrochemical performance previously reported in SICPB systems.

25 ENERGY STORAGE↗

Understanding the Performance Gap between Polycrystalline and Single-Crystal Nickel-Rich Layered Oxide Cathodes

Singe-crystal (SC) nickel-rich layered oxide cathodes, composed of boundary-free particles with high tap density, offer significant advantages in volumetric energy density and mechanical strength compared with polycrystalline (PC) cathode materials. However, as the nickel content increases (≥80%), SC Ni-rich cathodes often suffer from faster performance degradation than PC cathodes of the same composition, and the underlying causes of this discrepancy remain poorly understood. Herein, we reveal the distinct Ni redox behaviors that govern the electrochemical performance of SC and PC Ni-rich cathodes using multiscale and operando characterization techniques. Our results indicate that the increasingly heterogeneous Ni oxidation process in SC cathodes leads to the additional irreversible oxygen redox activity that deteriorates both the mechanical and chemical structures. In contrast, PC cathodes, despite with more pronounced surface reconstruction, exhibit greater chemomechanical stability due to homogeneous redox reactions during charging. Consequently, we find that bulk degradation, more than surface reactions, ultimately leads to fast capacity decay of SC Ni-rich cathodes during cycling. In conclusion, this work offers a comprehensive view on the impact of Ni redox evolutions on the chemomechanical stability in Ni-rich layered oxide cathodes, providing new insights into the longstanding performance gap between SC and PC cathodes, and guiding the rational design of Ni-rich cathode architectures.

36 MATERIALS SCIENCE↗

Direct numerical simulation of turbulent dispersion of evaporative aerosol clouds produced by an intense expiratory event

Airborne particles are a major route for transmission of COVID-19 and many other infectious diseases. When a person talks, sings, coughs, or sneezes, nasal and throat secretions are spewed into the air. After a short initial fragmentation stage, the expelled material is mostly composed of spherical particles of different sizes. While the dynamics of the largest droplets are dominated by gravitational effects, the smaller aerosol particles, mostly transported by means of hydrodynamic drag, form clouds that can remain afloat for long times. In subsaturated air environments, the dependence of pathogen-laden particle dispersion on their size is complicated due to evaporation of the aqueous fraction. Particle dynamics can significantly change when ambient conditions favor rapid evaporation rates that result in a transition from buoyancyto-drag dominated dispersion regimes. To investigate the effect of particle size and evaporation on pathogen-laden cloud evolution, a direct numerical simulation of a mild cough was coupled with an evaporative Lagrangian particle advection model. The results suggest that while the dispersion of cough particles in the tails of the size distribution are unlikely to be disrupted by evaporative effects, preferential aerosol diameters (30-40 μm) may exhibit significant increases in the residence time and horizontal range under typical ambient conditions. Using estimations of the viral concentration in the spewed fluid and the number of ejected particles in a typical respiratory event, we obtained a map of viral load per volume of air at the end of the cough and the number of virus copies per inhalation in the emitter vicinity.

60 APPLIED LIFE SCIENCES↗

A population of free-living highland wild dogs in Indonesian Papua

A 10-day rapid assessment has confirmed a small population of indigenous wild-living dogs in the highlands of Papua Province, Indonesia. The goal of the assessment was to observe, census, assess health and reproductive status, and collect biological samples or other data for this understudied canid. Trail cameras and DNA hair traps were deployed and baited with scent attractants, and game calls were used to elicit vocal responses or lure the dogs within observation range. Adults and pups of both sexes as well as a den were documented in 149 photographs. DNA testing of scat samples confirmed a canid origin with a close relationship to other oceanic canids including NGSD (New Guinea Singing Dog) and dingoes.

Zoology↗