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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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At least 595 records · Page 33

Quantifying Graph Uncertainty from Communication Data

Graphs are a widely used abstraction for representing a variety of important real-world problems including emulating cyber networks for situational awareness, or studying social networks to understand human interactions or pandemic spread. Communication data is often converted into graphs to help understand social and technical patterns in the underlying communication data. However, prior to this project, little work had been performed analyzing how best to develop graphs from such data. Thus, many critical, national security problems were being performed against graph representations of questionable quality. Herein, we describe our analyses that were precursors to our final statistically grounded technique for creating static graph snapshots from a stream of communication events. The first analyzes the statistical distribution properties of a variety of real-world communication datasets generally fit best by Pareto, log normal, and extreme value distributions. The second derives graph properties that can be estimated given the expected statistical distribution for communication events and the communication interval to be viewed node observability, edge observability, and expected accuracy of node degree. Unfortunately, as that final process is under review for publication, we can't publish it here at this time.

97 MATHEMATICS AND COMPUTING↗

Favipiravir Flow Synthesis

Researchers at Los Alamos have invented a novel flow/batch chemistry synthetic process to produce the small molecule anti-viral favipiravir more cheaply and rapidly to enable on-demand production for pandemic response. Current methods for synthesizing favipiravir are constrained by long reaction times and low yields. If ongoing clinical trials for favipiravir demonstrate its effectiveness as a COVID-19 antiviral, and as a broad spectrum anti-viral for treating future viral outbreaks, this synthesis would help alleviate potential drug shortages and supply chain issues for the manufacturing and availability of this small molecule anti-viral. This U.S.-based synthesis route would be capable of scale-up for making large (kilogram) amounts of favipiravir as needed to assist with clinical trial needs and demand for patient treatment, and can also produce isotopically labeled favipiravir. We are seeking a CRADA partner to finalize method development who has interest in licensing the method and employing it for domestic production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of Proton Activity on Fuel-Cell Performance (CRADA Final Report)

The key attribute that is being investigated is the dependence of the oxygen-reduction and hydrogen-oxidation reaction kinetics on proton activity. The influence of proton activity on the kinetics is also important in the determination of limiting factors that impact overall fuel-cell performance. At lower humidities, which are required to simplify fuel-cell water and thermal management (especially for higher-temperature operation) and enable next generation fuel cells, the ionomer water content will be different than that in today’s fuel cells. Such changes in water content directly impact the activity and concentration of protons. Thus, it is necessary to quantify this impact of proton activity on the reaction kinetics, and to determine means to mitigate any detrimental impacts to enable high performance. To realize the above goals of understanding the intrinsic interactions of proton activity on hydrogen-oxidation and oxygen-reduction kinetics, systematic investigations were carried out and a novel technique, a rapid microelectrode with environmental control, was realized. The experimental campaign at LBNL worked alongside that of TokyoTech and both were complemented by mathematical modeling of the key phenomena. The results demonstrated a robust method to analyze the kinetic behavior and an impact of proton activity, although greater delineation in terms of ion concentration versus activity was not obtained fully due in part to limited lab access during the COVID pandemic.

30 DIRECT ENERGY CONVERSION↗

Ventilator Testbed

A number of open-source ventilator designs have been published online since the outbreak of the COVID-19 pandemic. These ventilator designs have been created and released to help address the limitations in manufacturing and distribution timelines, and to help drive availability of more cost efficient ventilators. Many of these ventilators have been designed to be relatively simple to build and to use components that can be easily-sourced and acquired in large numbers from local suppliers. A test bed for evaluating the performance of these open-source ventilators was developed at Los Alamos National Laboratory as part of the Technology Evaluation and Demonstration program.

42 ENGINEERING↗

2020 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2020 NS 3 IP was organized as an “all-virtual” internship program. With LLNL’s extensive institutional support, students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours were performed remotely. While this virtual internship format did not allow for hands-on laboratory research projects, both the interns and their mentors constructed creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL interests in nuclear security.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CSRI Summer Proceedings 2020

The Computer Science Research Institute (CSRI) brings university faculty and students to Sandia for focused collaborative research on Department of Energy (DOE) computer and computational science problems. The institute provides an opportunity for university researchers to learn about problems in computer and computational science at DOE laboratories. Participants conduct leading-edge research, interact with scientists and engineers at the laboratories, and help transfer results of their research to programs at the labs. Some specific CSRI research interest areas are: scalable solvers, optimization, adaptivity and mesh refinement, graph-based, discrete, and combinatorial algorithms, uncertainty estimation, mesh generation, dynamic load-balancing, virus and other malicious-code defense, visualization, scalable cluster computers, data-intensive computing, environments for scalable computing, parallel input/output, advanced architectures, and theoretical computer science. The CSRI Summer Program is organized by CSRI and typically includes the organization of a weekly seminar series and the publication of a summer proceedings. In 2020, the CSRI summer program was executed completely virtually; all student interns worked from home, due to the COVID-19 pandemic.

97 MATHEMATICS AND COMPUTING↗

Modeling efficient and equitable distribution of COVID-19 vaccines

Producing and distributing COVID-19 vaccine during the pandemic is a major logistical challenge requiring careful planning and efficient execution. This report presents information on logistical, policy and technical issues relevant to rapidly fielding a COVID-19 vaccination program. For this study we (a) conducted literature review and subject matter expert elicitation to understand current vaccine manufacturing and distribution capabilities and vaccine allocation strategies, (b) designed a baseline vaccine distribution strategy and modeling strategy to provide insight into the potential for targeted distribution of limited initial vaccine supplies, and (c) developed parametric interfaces to enable vaccine distribution scenarios to be analyzed in depth with Sandias Adaptive Recovery Model that will allow us evaluate the additional sub- populations and alternative distribution scenarios from a public health benefit and associated economic disruption Principal issues, challenges, and complexities that complicate COVID-19 vaccine delivery identified in our literature and subject matter expert investigation include these items: The United States has not mounted an urgent nationwide vaccination campaign in recent history. The existing global manufacturing and distribution infrastructure are not able to produce enough vaccine for the population immediately. Vaccines, once available will be scarce resources. Prioritization for vaccine allocation will be built on existing distribution networks. Vaccine distribution may not have a universal impact on disease transmission and morbidity because of scarcity, priority population demographics, and underlying disease transmission rates. Considerations for designing a vaccine distribution strategy are discussed. A baseline distribution strategy is designed and tested using the Adaptive Recovery Model, which couples a deterministic compartmental epidemiological model and a stochastic network model. We show the impact of this vaccine distribution strategy on hospitalizations, mortality, and contact tracing requirements. This model can be used to quantitatively evaluate alternative distribution scenarios, guiding policy decisions as vaccine candidates are narrowed down.

59 BASIC BIOLOGICAL SCIENCES↗

New Mexico Cybersecurity Center Institute 2020 Experience

The New Mexico Cybersecurity Center 2020 Summer Institute with Sandia National Laboratories was the rst ever for the New Mexico Cybersecurity Centers. Due to the occurrence of the COVID-19 global pandemic during the summer of 2020 some unforeseen challenges had to be faced in running the institute, such as the fact that all students had to work remotely. This document details the students involved in the institute and their contributions to Sandia projects over the summer of 2020, as well as an analysis on how to successfully run a summer institute via distance.

97 MATHEMATICS AND COMPUTING↗

Quantitative form and fit of N95 filtering facepiece respirators are retained after dry and humid heat treatments for coronavirus deactivation

Re-use of filtering facepiece respirators (FFRs, commonly referred to as N95s) normally meant for single use only is becoming common in healthcare facilities due to shortages caused by the COVID19 pandemic. Here we report that mouse hepatitis virus (MHV) initially seeded on FFR filter material is inactivated (6 log reduction as measured by 50% tissue culture infective dose (TCID50)) after dry heating at 75 °C for 30 minutes. We also find that the quantitative fit of FFRs after heat treatment at this temperature, under dry conditions or at 90% relative humidity, is not affected by single or ten heating cycles. Previous studies have reported that the filtration efficiency of FFR filters is not negatively impacted by these heating conditions. These results suggest that thermal inactivation of coronaviruses is a potentially rapid and widely deployable method to re-use N95 FFRs in emergency situations where reusing FFRs is a necessity and broad-spectrum sterilization is unavailable. However, we also found that a heat source that emits radiation (e.g., an exposed heating element) results in rapid qualitative degradation of the FFR. Finally, we discuss differences in the results reported here and other recent studies investing heat as a means to recycle FFRs and suggest that overall wear time and donning/doffing cycles are important factors that need to be considered.

36 MATERIALS SCIENCE↗

2020 Annual Merit Review, Vehicle Technologies Office

The 2020 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy’s (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 1-4, 2020, virtually, due to extenuating circumstances resulting from the global Coronavirus (COVID-19) pandemic. The review encompassed work done by VTO: 292 individual activities were reviewed by 334 reviewers. Exactly 1,133 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE with a structured and formal methodology. The meeting also provided attendees with a virtual forum for interaction and technology information transfer.

25 ENERGY STORAGE↗

Q4FY20 Quarterly Report. LL20-AM-sensor

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. Project is 13 months into the 30 month on complete project plan. We are continuing effort on 3 main technical thrusts: algorithm development, multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In FY20 we underspent the initial budget, partly due to work restrictions from Covid-19 pandemic, but are working to make up lost time

42 ENGINEERING↗

Rethinking U.S. Biosecurity Strategy for the Decade Ahead (Workshop Summary)

The Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled, “Rethinking U.S. Biosecurity Strategy for the Decade Ahead” on October 27-29, 2020. The workshop included participants from the policy, military, and technical communities in the United States as well as from U.S. allies. The workshop, convened virtually due to the ongoing global COVID-19 pandemic, was a close collaboration between CGSR and the Physical Life Sciences (PLS) Directorate at LLNL. While the scope of conference extended beyond current circumstances to include precedents and predictions for both public health and bioweapons, contemporary events weighed heavily on the discussion participants.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Preshot Report for the NIF DDCyl Campaign: H_Hyd_DDCyl_DRT_AAA/BBB/CCC

The first two cylinder shot days on the National Ignition Facility, allocated through the Discovery Science program, provided a successful demonstration of the cylinder platform on the NIF. Both of these shot days used cylinders that were nominally 3 times larger in radial dimension than cylinders fielded at the OMEGA laser facility, here referred to as scale-3 targets. In the first Discovery Science shot day, we demonstrated that Rayleigh-Taylor instability growth during the deceleration phase is scale-invariant between the scale-1 OMEGA experiments and similarly tailored scale-3 NIF experiments at the same convergence ratio of CR=initial radius/final radius=2.25. In the second Discovery Science shot day, we increased the convergence ratio by lowering the density of the central foam from 300 mg/cm 3 to roughly 40 mg/cm 3 with the same laser drive, resulting in a higher CR=5 at the time when the rebounding shock strikes the aluminum marker. We also greatly improved the imaging setup for the second shot day, resulting in much higher quality (greater signal-to-noise) radiographs of the implosion. This current shot day was awarded through the High Energy Density (HED) Council, following this demonstration of platform viability. It was originally scheduled for June 2020, but it was postponed several times due to the COVID-19 pandemic. It is currently scheduled for January 6, 2021. For this shot day, we will increase the radial dimension of the cylinder to four times the OMEGA-scale targets, and these will be referred to as scale-4 cylinders. Increasing the radial dimension of the target is advantageous as we push these targets to higher convergence ratio. By starting with an initially larger target, the target can push to a higher CR while maintaining the same final viewing area. Other than the larger radial dimension, the targets are very similar in design to the previous ones, consisting of an epoxy ablator, an embedded aluminum marker layer, and a low density central CH foam. These will also use a 40 mg/cm3 CH foam, reaching a CR~4.5 with the same laser energy (the added target mass reduces the final CR slightly). Note that this is NOT designed to be scale-invariant with the previous scale-1 OMEGA and scale-3 NIF shots. It was determined that the laser energy required to achieve a scale-invariant implosion was above the allowable optics damage limits (though achievable on the NIF) for these scale-4 targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

19-LW-045 Full Length Final Report. Molecular Mechanisms of Bacterial Pathogenesis: Waging the Arms Race with Superbugs

As the current global pandemic makes abundantly clear, we need a better understanding of infectious disease to safeguard human health, the economy and global security. Modern omics techniques hold the promise of providing a comprehensive understanding of the molecular mechanisms of life, including causes of pathogenesis from infectious disease at the molecular level, but we there is a serious gap in annotation of gene function. For as much as half of the genes and gene products encoded in genomes the molecular and/or cellular function is unknown or only partially understood. Recent innovations in fluorescence microscopy for live cell imaging and genetic engineering make it possible to determine the temporal correlation between molecular events, such as a gene being expressed due to host-pathogen interaction, and cellular events, such as bacterial invasion of immune cells. This is turn allows us to gain new insight as to the molecular and cellular role of individual genes and will enable the discovery and validation of new molecular mechanisms essential for infectious disease. Knowing the molecular mechanisms of disease processes will provide new therapeutic targets or novel countermeasure strategies. We aimed to develop a lattice light sheet fluorescence microscope as a unique resource at LLNL for long time course live cell imaging experiments; to develop the reagents and cell lines needed to monitor molecular events during the course pathogenic bacteria infecting mammalian immune cells; and to demonstrate that we could capture molecular events during an infection. We fully commissioned the LLNL lattice light sheet microscope and conducted initial proof of principle imaging experiments on mammalian immune cells and pathogenic bacteria. It is clear from the experience gained that long time course live cell imaging has tremendous potential to help elucidate molecular mechanisms of host-pathogen interactions and to help annotate gene function, which would establish a basis for new countermeasures. It is also clear that if live cell imaging is to realize its full potential new data processing and analysis tools will need to be developed to facilitate analysis of molecular events within cells; new sample chambers and stages could facilitate studies with a wider range of cell and tissue types; and alternative molecular tagging methods need to be explored to enable more facile engineering of cells labeled with molecular specificity.

59 BASIC BIOLOGICAL SCIENCES↗

Integrated Resource Supply-Demand-Routing Model for the COVID-19 Crisis

As part of the Department of Energy response to the novel coronavirus disease (COVID-19) pandemic of 2020, a modeling effort was sponsored by the DOE Office of Science. Through this effort, an integrated planning framework was developed whose capabilities were demonstrated with the combination of a treatment resource demand model and an optimization model for routing supplies. This report documents this framework and models, and an application involving ventilator demands and supplies in the continental United States. The goal of this application is to test the feasibility of implementing nationwide ventilator sharing in response to the COVID-19 crisis. Multiple scenarios were run using different combinations of forecasted and observed patient streams, and it is demonstrated that using a "worst-case forecast for planning may be preferable to best mitigate supply-demand risks in an uncertain future. There is also a brief discussion of model uncertainty and its implications for the results.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Characterization of Partially Observed Epidemics - Application to COVID-19

This report documents a statistical method for the "real-time" characterization of partially observed epidemics. Observations consist of daily counts of symptomatic patients, diagnosed with the disease. Characterization, in this context, refers to estimation of epidemiological parameters that can be used to provide short-term forecasts of the ongoing epidemic, as well as to provide gross information for the time-dependent infection rate. The characterization problem is formulated as a Bayesian inverse problem, and is predicated on a model for the distribution of the incubation period. The model parameters are estimated as distributions using a Markov Chain Monte Carlo (MCMC) method, thus quantifying the uncertainty in the estimates. The method is applied to the COVID-19 pandemic of 2020, using data at the country, provincial (e.g., states) and regional (e.g. county) levels. The epidemiological model includes a stochastic component due to uncertainties in the incubation period. This model-form uncertainty is accommodated by a pseudo-marginal Metropolis-Hastings MCMC sampler, which produces posterior distributions that reflect this uncertainty. We approximate the discrepancy between the data and the epidemiological model using Gaussian and negative binomial error models; the latter was motivated by the over-dispersed count data. For small daily counts we find the performance of the calibrated models to be similar for the two error models. For large daily counts the negative-binomial approximation is numerically unstable unlike the Gaussian error model. Application of the model at the country level (for the United States, Germany, Italy, etc.) generally provided accurate forecasts, as the data consisted of large counts which suppressed the day-to-day variations in the observations. Further, the bulk of the data is sourced over the duration before the relaxation of the curbs on population mixing, and is not confounded by any discernible country-wide second wave of infections. At the state-level, where reporting was poor or which evinced few infections (e.g., New Mexico), the variance in the data posed some, though not insurmountable, difficulties, and forecasts were able to capture the data with large uncertainty bounds. The method was found to be sufficiently sensitive to discern the flattening of the infection and epidemic curve due to shelter-in-place orders after around 90% quantile for the incubation distribution (about 10 days for COVID-19). The proposed model was also used at a regional level to compare the forecasts for the central and north-west regions of New Mexico. Modeling the data for these regions illustrated different disease spread dynamics captured by the model. While in the central region the daily counts peaked in the late April, in the north-west region the ramp-up continued for approximately three more weeks.

59 BASIC BIOLOGICAL SCIENCES↗

The security implications of global climate change. Workshop summary

The Center for Global Security Research (CGSR) at Lawrence Livermore National Laboratory (LLNL) hosted a workshop titled, “The Security Implications of Global Climate Change” on January 5-7, 2021, convened virtually due to the ongoing global COVID-19 pandemic. The workshop included participants from scientific/technical, defense, diplomacy, advocacy, and academic communities in the United States as well as from U.S. allies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

FY2020 LDRD Annual Report

The Laboratory Directed Research and Development (LDRD) program funds scientific efforts to build upon the unique knowledge base of Savannah River National Laboratory (SRNL). The program yields foundational scientific research and development (R&D) essential to SRNL’s core business areas, while aligning optimally and continuously with SRNL’s Strategic Plan and providing long-term benefits to DOE and the National Nuclear Security Administration (NNSA), other customers, and stakeholders. While fiscal year (FY) 2020 presented unprecedented challenges due to the COVID-19 global pandemic, the SRNL research team continued to advance science and further technology through the support of the LDRD program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗