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At least 91 records · Page 5

Supercritical CO2 sterilization of N95 Masks

A preliminary investigation of the use of supercritical carbon dioxide for treating of 3M 1860 N95 masks was undertaken to evaluate a potential route to low-cost, scalable, sterilization of personal protective equipment for multiple reuse in hospital settings. Upon entering the supercritical regime, the normally distinct liquid and gaseous phases of CO 2 merge into a single homogeneous phase that has density, short-range order, and solvation capacity of a liquid, but the volume-filling and permeation properties that of a gas. This enables supercritical CO2 to function as a vehicle for delivery of biocidal agents such peracetic acid into microporous structures. The potentially adverse effect of a liquid-to-gas phase transition on mask filter media is avoided by conducting cleaning operations above 31 C, the critical temperature for carbon dioxide. A sample of fifteen 3M 1860 N95 masks was subjected to ten consecutive cycles of supercritical CO 2 cleaning to determine its effect on mask performance. These 15 masks, along with 5 control samples then underwent a battery of standardized tests at the CDC NIOSH NPPTL research facility in Pittsburgh, PA. The data from these tests strongly suggest (but do not prove) that supercritical carbon dioxide do not damage 3M 1860 N95 masks. Additional tests conducted during this project confirmed the compatibility of supercritical CO 2 with ventilator tubing that, like N95 masks, has been in short supply during portions of the COVID-19 pandemic and cannot be sterilized by conventional means. Finally, a control experiment was also conducted to examine the effect of supercritical CO 2 on a BSL-2 surrogate virus, vesicular stomatitis virus (VSV), Indiana serotype strain. In the absence of biocidal additives, supercritical CO 2 exhibited no measurable lethality against VSV. This surrogate virus experiment suggests that a biocidal additive such as peracetic acid will be necessary to achieve required sterilization metrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Textile Carbon Fiber Packaging and NCF Production

This Technical Collaboration Project focused on packaging large tow (≥ 10 grams/meter) textile carbon fibers, for which currently there is no suitable method. Prior to this project, Oak Ridge National Laboratory (ORNL) used a crude packaging approach to deliver (approximately) 100-meter packages for evaluation by intermediates producers, composites fabricators and other collaborators. That packaging approach was simply a hoop wrap on a standard 75 mm (3 inch) cardboard tube, with paper interleaved between layers and little or no tension control during spooling. While this approach was very effective for initial fiber development and sample fiber and small composite sample evaluation, these packages were inadequate for larger-scale demonstrations and more extensive applications development. The paper-interleaved packages were inconsistent, wasteful, and too small for commercial utilization; they were designed as a quick and simple means to package material for delivery into prototyping operations and were never expected to satisfy industrial requirements for commercial production. This project aimed to develop a commercially relevant approach for packaging large tow textile carbon fibers for robust delivery into downstream commercial intermediates and composites production operations. The development of robust packaging equipment that delivers packages meeting industrial requirements is essential to commercial implementation. In this project, the team identified packaging requirements, created a design, and prototyped a new packaging concept at ORNL’s Carbon Fiber Technology Facility (CFTF) and resulting packages were tested in production of non-crimp fabric (NCF).

42 ENGINEERING↗

Automated Airborne Pathogen Monitoring for Agriculture (CRADA Final Report)

As part of the Cyclotron Road program, Root Applied Sciences investigated the use of DNA-based assays under field conditions to detect airborne plant pathogens in environmental samples. Robust DNA-based assays are critical for automated monitoring of plant pathogen concentrations in the air using Root’s air samplers. A fully automated air sampler coupled with DNA-based assays capable of operating under field conditions will accelerate the delivery of disease risk alerts based on airborne inoculum loads. Timely and accurate alerts of pathogen loads in the air can help growers manage airborne diseases more precisely, avoiding fungicide applications when there is no threat, and focusing cultural practices in the right areas. This project built upon other work done by Root to study the in-field performance of a liquid DNA-based assay for detection of grape powdery mildew. Growers working with Root’s airborne powdery mildew monitoring system have reported 20-80% reductions in pesticides.

60 APPLIED LIFE SCIENCES↗

Wavelength domain spatial frequency modulation imaging: enabling fiber optic delivery and detection

Spatial frequency modulation imaging (SPIFI) provides a simple architecture for modulating an extended illumination source that is compatible with single pixel imaging. We demonstrate wavelength domain SPIFI (WD-SPIFI) by encoding time-varying spatial frequencies in the spectral domain that can produce enhanced resolution images, like its spatial domain counterpart, spatial domain (SD) SPIFI. However, contrary to SD-SPIFI, WD-SPIFI enables remote delivery by single mode fiber, which can be attractive for applications where free-space imaging is not practical. Finally, we demonstrate a cascaded system incorporating WD-SPIFI in-line with SD-SPIFI enabling single pixel 2D imaging without any beam or sample scanning.

47 OTHER INSTRUMENTATION↗

Status Update for the Canister Deposition Field Demonstration

This report updates the high-level test plan for evaluating surface deposition on three commercial 32PTH2 spent nuclear fuel (SNF) canisters inside NUTECH Horizontal Modular Storage (NUHOMS) Advanced Horizontal Storage Modules (AHSMs) from Orano (formerly Transnuclear Inc.) and provides a description of the surface characterization activities that have been conducted to date. The details contained in this report represent the best designs and approaches explored for testing as of this publication. Given the rapidly developing nature of this test program, some of these plans may change to accommodate new objectives or requirements. The goal of the testing is to collect highly defensible and detailed dust deposition measurements from the surface of dry storage canisters in a marine coastal environment to guide chloride-induced stress corrosion crack (CISCC) research. To facilitate surface sampling, the otherwise highly prototypic dry storage systems will not contain SNF but rather will be electrically heated to mimic the decay heat and thermal hydraulic environment. Test and heater design is supported by detailed computational fluid dynamics modeling. Instrumentation throughout the canister, storage module, and environment will provide extensive information about thermal-hydraulic behavior. Manual sampling over a comprehensive portion of the canister surface at regular time intervals will offer a high-fidelity quantification of the conditions experienced in a harsh yet realistic environment. Functional testing of the finalized heater assemblies and test apparatus is set to begin in December 2022. The proposed delivery of the canisters to the host test site is June/July 2023, which is well ahead of when the AHSM installations would be completed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cryo-electron Microscopy of Adeno-associated Virus

Adeno-associated virus (AAV) has a single-stranded DNA genome encapsidated in a small icosahedrally symmetric protein shell with 60 subunits. AAV is the leading delivery vector in emerging gene therapy treatments for inherited disorders, so its structure and molecular interactions with human hosts are of intense interest. A wide array of electron microscopic approaches have been used to visualize the virus and its complexes, depending on the scientific question, technology available, and amenability of the sample. Approaches range from subvolume tomographic analyses of complexes with large and flexible host proteins to detailed analysis of atomic interactions within the virus and with small ligands at resolutions as high as 1.6 Å. Analyses have led to the reclassification of glycan receptors as attachment factors, to structures with a new-found receptor protein, to identification of the epitopes of antibodies, and a new understanding of possible neutralization mechanisms. AAV is now well-enough characterized that it has also become a model system for EM methods development. Heralding a new era, cryo-EM is now also being deployed as an analytic tool in the process development and production quality control of high value pharmaceutical biologics, namely AAV vectors.

59 BASIC BIOLOGICAL SCIENCES↗

A panel analysis of groundwater use in California

We report groundwater is a relevant source of drinking and agricultural water in many regions of the world, but many aquifers have been unsustainably over-drafted and polluted. This has significant environmental, health, and economic implications. We rely on panel analysis, with small-sample corrections for cluster-robust variance estimation and hypothesis testing, to investigate the dynamics of groundwater extraction. We focus on California, yet our approach could be helpful to analyze the dynamics of groundwater extraction in other groundwater-reliant regions of the world. In California, over-reliance on groundwater has led to significant overdraft, affecting long-term water supply reliability and groundwater pumping costs. It further caused subsidence and infrastructure damage, harmed groundwater-dependent ecosystems, and threatened the sustainability of groundwater resources in the state. We use panel data of the 56 California Water Plan planning areas over the 1998–2015 period. We concentrate on agricultural and urban water use and the major water projects in the state, to provide a better understanding of the relationships between groundwater extraction and water use and supply. Results suggest that reducing agricultural water in Central California and urban water in Southern California could reduce groundwater extraction in these regions by approximately the same amount of the reduced water. Other opportunities to reduce the stress on the groundwater resources in the state are available for other regions, yet with lower benefits. Results also suggest that a decrease in deliveries from the Central Valley Project to the southern part of the Central Valley would increase groundwater extraction by approximately the same proportion. Changes in deliveries from the major water projects in the state, as well as from other sources of surface water, would also have some, yet lower impacts on groundwater extraction in the Central and Southern California.

54 ENVIRONMENTAL SCIENCES↗

Water-Soluble Flexible Organic Frameworks That Include and Deliver Proteins

Four water-soluble hydrazone-based three-dimensional (3D) flexible organic frameworks FOF-1-4 have been synthesized from a semirigid tetracationic tetraaldehyde and four flexible dihydrazides. 1 H NMR spectroscopy indicated the quantitative formation of FOF-1-4 in D 2 O, while dynamic light scattering experiments revealed that, depending on the concentration, these porous frameworks display hydrodynamic diameters ranging from 50 to 120 nm. The porosity of the frameworks is confirmed by ethanol vapor adsorption experiments of the solid samples as well as the high loading capacity for a 2.3 nm porphyrin guest in water. The new water-soluble frameworks exhibit low cytotoxicity and form inherent pores with diameters of 5.3 or 6.7 nm, allowing rapid inclusion of proteins such as bovine serum albumin and green and orange fluorescent proteins, and efficient delivery of the proteins into normal and cancer cells. Flow cytometric analysis reveals percentages of the delivered cells up to 99.8%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Containment strategy for subsurface H 2 storage based on time-dependent soft solids

Here, we propose an innovative containment strategy based on time-dependent soft solids, namely 2 wt% Laponite suspensions, to reinforce natural subsurface seals and engineer flow barriers, with an eye toward making H 2 subsurface storage scalable and geographically agnostic. This suspension can be injected at its initial low viscosity and elasticity into a porous medium, allowing for easy pumping and targeted delivery. Once inside the target zone, it matures into a soft solid with much higher viscosity and elasticity, acting as a potential flow barrier. We discuss the rheological properties of the suspensions and demonstrate that hydrogen does not adversely affect their microstructure, but rather increases the suspensions’ viscosity and elasticity. Moreover, the suspensions enhance the rock samples’ compressive strength, while hydrogen exposure increases their stiffness and ductility. The ability of rock samples saturated with the suspensions to contain higher injected gas pressures is enhanced by aging at higher temperatures.

08 HYDROGEN↗

Coordinated neutron and X-ray computed tomography of meteorites: Detection and distribution of hydrogen-bearing materials

The presence and distribution of hydrogen-bearing materials in meteorites are important constraints on processes in the early solar system, and the delivery of volatile constituents to growing planets. Here, in this paper, we show that coordinated neutron and X-ray computed tomography, NXCT, can reveal the presence and distributions of hydrogen-bearing materials in meteorites, and thus help constrain the presence and actions of water in the early solar system. NXCT is nearly nondestructive of meteorite samples. Neutron fluence in NXCT is approximately seven orders of magnitude less than in typical instrumental neutron activation analysis, and so produces little residual radioactivity and currently undetectable changes in isotope ratios. Heating during NXCT is minimal, but NXCT will overprint the record of cosmic ray exposure held in natural thermoluminescence. Two meteorites were examined. EET 87503 is a howardite, a regolith breccia inferred to be from the asteroid 4 Vesta, and contains fragments of eucrite basalt, diogenite pyroxenite, and H-rich carbonaceous chondrites. With NXCT, the chondrite fragments within the meteorite piece can be clearly located and characterized, in preparation for possible extraction and detailed analyses. Graves Nunataks (GRA) 06100 is a CR2 chondrite meteorite that contains abundant iron metal and H-bearing silicates from aqueous alteration. In NXCT, H-bearing altered material is clearly distinguished from metal, and its distribution in three dimensions is revealed as a constraint on the processes of alteration.

79 ASTRONOMY AND ASTROPHYSICS↗

DeepMC: a deep learning method for efficient Monte Carlo beamlet dose calculation by predictive denoising in magnetic resonance-guided radiotherapy

Abstract Emerging magnetic resonance (MR) guided radiotherapy affords significantly improved anatomy visualization and, subsequently, more effective personalized treatment. The new therapy paradigm imposes significant demands on radiation dose calculation quality and speed, creating an unmet need for the acceleration of Monte Carlo (MC) dose calculation. Existing deep learning approaches to denoise the final plan MC dose fail to achieve the accuracy and speed requirements of large-scale beamlet dose calculation in the presence of a strong magnetic field for online adaptive radiotherapy planning. Our deep learning dose calculation method, DeepMC, addresses these needs by predicting low-noise dose from extremely noisy (but fast) MC-simulated dose and anatomical inputs, thus enabling significant acceleration. DeepMC simultaneously reduces MC sampling noise and predicts corrupted dose buildup at tissue-air material interfaces resulting from MR-field induced electron return effects. Here we demonstrate our model’s ability to accelerate dose calculation for daily treatment planning by a factor of 38 over traditional low-noise MC simulation with clinically meaningful accuracy in deliverable dose and treatment delivery parameters. As a post-processing approach, DeepMC provides compounded acceleration of large-scale dose calculation when used alongside established MC acceleration techniques in variance reduction and graphics processing unit-based MC simulation.

Engineering↗

COVID-19-associated school closures and related efforts to sustain education and subsidized meal programs, United States, February 18-June 30, 2020

Pre-emptive school closures are frontline community mitigation measures recommended by the US Centers for Disease Control and Prevention (CDC) for implementation during severe pandemics. This study describes the spatiotemporal patterns of publicly announced school closures implemented in response to the coronavirus disease 2019 (COVID-19) pandemic and assesses how public K-12 districts adjusted their methods of education delivery and provision of subsidized meals. During February 18–June 30, 2020, we used daily systematic media searches to identify publicly announced COVID-19–related school closures lasting ≥1 day in the United States (US). We also collected statewide school closure policies from state government websites. Data on distance learning and subsidized meal programs were collected from a stratified sample of 600 school districts. The first COVID-19–associated school closure occurred on February 27, 2020 in Washington state. By March 30, 2020, all but one US public school districts were closed, representing the first-ever nearly synchronous nationwide closure of public K-12 schools in the US. Approximately 100,000 public schools were closed for ≥8 weeks because of COVID-19, affecting >50 million K-12 students. Of 600 districts sampled, the vast majority offered distance learning (91.0%) and continued provision of subsidized meal programs (78.8%) during the closures. Despite the sudden and prolonged nature of COVID-19–associated school closures, schools demonstrated flexibility by implementing distance learning and alternate methods to continue subsidized meal programs.

60 APPLIED LIFE SCIENCES↗

Comparison of vapour pressure osmometry, freezing point osmometry and direct membrane osmometry for determining the osmotic pressure of concentrated solutions

Osmometry is the analytical method of measuring osmotic pressure ($π$) and related colligative properties. Accurately measuring $π$ is essential for applications that use osmosis, including drug delivery systems and water filtration methods such as forward osmosis. The three most common forms of directly or indirectly measuring $π$ are vapour pressure osmometry (VPO), freezing point osmometry (FPO), and direct membrane osmometry (DMO). In this report, the performance of VPO, FPO, and DMO are compared for various aqueous solutions, including small molecule and polymer solutes, and potentially more difficult samples such as concentrated, carbonated, or viscous solutions. Furthermore, potential problems with each of the three methods are examined. Good practices can avoid inaccuracies in DMO due to external concentration polarization and solute diffusion through the membrane. Similarly, it is important to be aware of and avoid weaknesses in VPO and FPO in order to obtain reliable results. Even with care, however, the three methods still give different values of $π$ for concentrated aqueous solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancement of LANSCE accelerator facility as a 1-MW Fusion Prototypic Neutron Source

The Fusion Prototypic Neutron Source (FPNS) is considered to be a testbed for scientific understanding of material degradation in future nuclear fusion reactors (Zinkle and Moeslang, 2013; Summary Report on the FPNS Workshop, 2018; Pitcher et al., 2019). The primary mission of FPNS is to provide a damage rate in iron samples of 8-11 dpa/calendar year with He/dpa ratio of 10 appm in irradiation volume of 50 cm 3 or larger with irradiation temperature 300–1000 °C and flux gradient less than 20%/cm in the plane of the sample. The Los Alamos Neutron Science Center (LANSCE) is an attractive candidate for the FPNS project. The Accelerator Facility was designed and operated for an extended period as a 0.8-MW Meson Factory. The existing setup of the LANSCE accelerator complex can nearly fulfill requirements of the fusion neutron source station. The primary function of the upgraded accelerator systems is the safe and reliable delivery of a 1.25-mA continuous proton beam current at 800-MeV beam energy from the switchyard to the target assembly to create 1 MW power of proton beam interacting with a solid tungsten target. The present study describes existing accelerator setup and further development required to meet the needs of FPNS project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cooperative response of magnetism and superconductivity in the magnetic superconductor RbEuFe 4 As 4

Herein, we present a study of the magnetic-flux evolution in the magnetic superconductor RbEuFe 4 As 4 performed using magneto-optical imaging and magnetization measurements during field cooling and warming and magnetic field cycling at temperatures above and below the magnetic transition point, T$_m$. The vortex patterns emerging at T ≲ T$_m$ reveal that the Eu-spin subsystem serves as an internal pump of the magnetic flux while the superconducting critical current controls the delivery of magnetic-flux quanta into the bulk. The interplay of magnetic susceptibility amplifying the magnetic induction and vortex pinning attenuating the magnetic-flux entry results in a field- and temperature-dependent critical state that emulates a paramagnetic Meissner effect. The observed vortex dynamics corresponds to a nontrivial spatial current distribution and yields a self-consistent inhomogeneous enhancement of the sample magnetization.

36 MATERIALS SCIENCE↗

Machine Learning of Performance Space Mapping for the DPD Simulation of Drug Delivery to Endothelial Cells

Despite huge effort over the years, the design of functionalised nanocarriers (NCs) for targeted drug delivery to endothelial cells is still to be completely unveiled. Dissipative particle dynamics (DPD) simulation is used to study the adhesion of NCs to endothelial cells under the influence of series of parameters such as shape, size, and ligand density of the NCs. However, preparing a performance space mapping that illustrates the penetration depths of NCs as a function of variations in their properties requires simulations of all possible NCs with the above-mentioned properties, which is not feasible. This challenge was addressed by leveraging a Gaussian process regression (GPR)-informed active learning strategy and an extensive exploration of numerous samples, each representing different properties of NCs. The performance space mapping reveals that NCs with rod and disc shapes exhibit superior penetration capabilities compared to those with a spherical shape. Furthermore, it demonstrates that smaller-sized rod-shaped NCs and larger-sized disc-shaped NCs tend to achieve better penetration. When considering smaller NCs, the influence of ligand density appears to be limited. On the contrary, for larger NCs, an increase in ligand density correlates with greater penetration depth, underscoring its substantial role in shaping their penetration capabilities.

36 MATERIALS SCIENCE↗

Energy Delivery Systems with Verifiable Trustworthiness (Final Report)

Energy Delivery Systems (EDS) must be verified to be free from intrusive and malicious software. One way of verifying this software is to perform device scans to detect malicious code. Because it is possible to have “fileless” malware that exists only in device (volatile) memory, offline scanning and even many forms of online scanning is insufficient for detection. This project (“Verify”) addresses this need by performing direct sampling of memory during device operation to detect unexpected or modified software while not interfering with device operation. The Verify project provides a proof-of-concept of detection by random sampling combined with remote software- and timing-based attestation methods for robust detection of in-memory threats. An external review of Verify was performed by our partner, General Electric (GE), and a summary of their findings is provided.

97 MATHEMATICS AND COMPUTING↗