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At least 649 records · Page 36

COMBIgor (A data assistant for combinatorial scientists in Igor Pro) [SWR-19-16]

Combinatorial materials science experiments involve synthesis and spatially-resolved characterization of thin film sample libraries. As a result, the modern combinatorial materials science laboratory produces large, diverse, and complex data sets, requiring automation of analysis and visualization techniques. COMBIgor is a software package aimed to assist a combinatorial material scientists with large volumes of experimental data. This package, written in Igor Pro, offers a systematic approach to the loading, processing, and visualizing combinatorial data sets. COMBIgor is designed to be expanded on a laboratory, group, or individual basis to adopt additional loading, processing and visualization capabilities. By utilizing COMBIgor software package the burden of data management in combinatorial materials science experiments can be significantly reduced.

Bauers, Sage↗

The report of Task Group 100 of the AAPM: Application of risk analysis methods to radiation therapy quality management

The increasing complexity of modern radiation therapy planning and delivery challenges traditional prescriptive quality management (QM) methods, such as many of those included in guidelines published by organizations such as the AAPM, ASTRO, ACR, ESTRO, and IAEA. These prescriptive guidelines have traditionally focused on monitoring all aspects of the functional performance of radiotherapy (RT) equipment by comparing parameters against tolerances set at strict but achievable values. Many errors that occur in radiation oncology are not due to failures in devices and software; rather they are failures in workflow and process. A systematic understanding of the likelihood and clinical impact of possible failures throughout a course of radiotherapy is needed to direct limit QM resources efficiently to produce maximum safety and quality of patient care. Task Group 100 of the AAPM has taken a broad view of these issues and has developed a framework for designing QM activities, based on estimates of the probability of identified failures and their clinical outcome through the RT planning and delivery process. The Task Group has chosen a specific radiotherapy process required for “intensity modulated radiation therapy (IMRT)” as a case study. The goal of this work is to apply modern risk-based analysis techniques to this complex RT process in order to demonstrate to the RT community that such techniques may help identify more effective and efficient ways to enhance the safety and quality of our treatment processes. The task group generated by consensus an example quality management program strategy for the IMRT process performed at the institution of one of the authors. This report describes the methodology and nomenclature developed, presents the process maps, FMEAs, fault trees, and QM programs developed, and makes suggestions on how this information could be used in the clinic. The development and implementation of risk-assessment techniques will make radiation therapy safer and more efficient.

60 APPLIED LIFE SCIENCES↗

From individual leaves to forest stands: importance of niche, distance decay, and stochasticity vary by ecosystem type and functional group for fungal community composition

Abstract Community assembly is influenced by environmental niche processes as well as stochastic processes that can be spatially dependent (e.g. dispersal limitation) or independent (e.g. priority effects). Here, we sampled senesced tree leaves as unit habitats to investigate fungal community assembly at two spatial scales: (i) small neighborhoods of overlapping leaves from differing tree species and (ii) forest stands of differing ecosystem types. Among forest stands, ecosystem type explained the most variation in community composition. Among adjacent leaves within stands, variability in fungal composition was surprisingly high. Leaf type was more important in stands with high soil fertility and dominated by differing tree mycorrhizal types (sugar maple vs. basswood or red oak), whereas distance decay was more important in oak-dominated forest stands with low soil fertility. Abundance of functional groups was explained by environmental factors, but predictors of taxonomic composition within differing functional groups were highly variable. These results suggest that fungal community assembly processes are clearest for functional group abundances and large spatial scales. Understanding fungal community assembly at smaller spatial scales will benefit from further study focusing on differences in drivers for different ecosystems and functional groups, as well as the importance of spatially independent factors such as priority effects.

59 BASIC BIOLOGICAL SCIENCES↗

Dynamic analysis environment for nuclear forensic analyses

We report a Dynamic Analysis Environment (DAE) software package is introduced to facilitate group inclusion/exclusion method testing, evaluation and comparison for pre-detonation nuclear forensics applications. Employing DAE, the multivariate signatures of a questioned material can be compared to the signatures for different, known groups, enabling the linking of the questioned material to its potential process, location, or fabrication facility. Advantages of using DAE for group inclusion/exclusion include built-in query tools for retrieving data of interest from a database, the recording and documentation of all analysis steps, a clear visualization of the analysis steps intelligible to a non-expert, and the ability to integrate analysis tools developed in different programming languages. Two group inclusion/exclusion methods are implemented in DAE: principal component analysis, a parametric feature extraction method, and k nearest neighbors, a nonparametric pattern recognition method. Spent Fuel Isotopic Composition (SFCOMPO), an open source international database of isotopic compositions for spent nuclear fuels (SNF) from 14 reactors, is used to construct PCA and KNN models for known reactor groups, and 20 simulated SNF samples are utilized in evaluating the performance of these group inclusion/exclusion models. For all 20 simulated samples, PCA in conjunction with the Q statistic correctly excludes a large percentage of reactor groups and correctly includes the true reactor of origination. As a result, employing KNN, 14 of the 20 simulated samples are classified to their true reactor of origination.

97 MATHEMATICS AND COMPUTING↗

First-ranked galaxies in groups

A statistical analysis of five group catalogs shows that the B(0) magnitudes of first-ranked group members are consistent with a statistical model in which the luminosities of all group members are drawn from the same distribution. As in the Hickson compact groups, indications are that first-ranked group members are only rarely the products of distinctive evolutionary processes. Distance-dependent selection effects can introduce spurious correlations among group parameters which may appear to support environment-dependent evolution of the first-ranked group members.

Geller, M. J.↗

American Society of Composites, 32nd Technical Conference

Resin transfer molding (RTM) has become increasingly popular for the manufacturing of composite parts. To enable high volume manufacturing and obtain good quality parts at an acceptable cost to automotive industry, accurate process simulation tools are necessary to optimize the process conditions. Towards that goal, General Motors and the ESI-group are involved in developing a state of the art process simulation tool for composite manufacturing in a project supported by the Department of Energy. This paper describes the modeling of various stages in resin transfer molding such as resin injection, resin curing, and part distortion. An instrumented RTM system located at the General Motors Research and Development center was used to perform flat plaque molding experiments. The experimental measurements of fill time, in-mold pressure versus time, cure variation with time, and part deformation were compared with the model predictions and very good correlations were observed.

42 ENGINEERING↗

Dynamic Nested Tracking Graphs

This work describes an approach for the interactive visual analysis of large-scale simulations, where numerous superlevel set components and their evolution are of primary interest. The approach first derives, at simulation runtime, a specialized Cinema database that consists of images of component groups, and topological abstractions. This database is processed by a novel graph operation-based nested tracking graph algorithm (GO-NTG) that dynamically computes NTGs for component groups based on size, overlap, persistence, and level thresholds. Finally, the resulting NTGs are in turn used in a feature-centered visual analytics framework to query specific database elements and update feature parameters, facilitating flexible post hoc analysis.

97 MATHEMATICS AND COMPUTING↗

Commercially Scalable Process to Fabricate Porous Silicon

Navitas Advanced Solutions Group proposes a novel, commercially scalable approach to supply microporous silicon (μpSi) to lithium ion battery manufacturers. If successful, this project will result in a significant reduction in the cost and environmental impact of high capacity anodes that are needed to meet the EV Everywhere battery goals. Silicon nanocomposite materials have been identified as a viable anode technology for EV batteries. Presently, high capacity silicon-based anodes rely either on materials that are expensive (e. g., silane or nano-silicon powder) or on processes that are limited by low yield methods (e.g., chemical vapor deposition). Microporous silicon potentially avoids these limitations and is attracting increasing attention as a lower cost alternative for the manufacture of high capacity silicon-based anodes. Microporous silicon suitable for EV batteries is not currently available as a commodity material. Microporous silicon can be produced at lab scale through a metal catalyzed hydrofluoric acid etching process. However, this process is expensive and hazardous. Our proposed production route will facilitate the availability of μpSi to lithium ion battery producers and developers at a scale and cost able to support EV battery production. Under the Vehicle Technologies FOA AOI 4 seeks Advances in Existing and Next-Generation Battery Material Manufacturing to reduce the cost of EV batteries. The EV Everywhere initiative establishes a goal of $100/kWh system level cost for an EV battery. This cost target can be met with moderate risk through pairing silicon-based high capacity anodes with lithium metal-rich nickel manganese cobalt oxide 'LMR-NMC' cathodes. For this set of assumptions, the silicon anode active material cost would need to be <$25/kg. The Navitas µpSi powder manufacturing process will reach this target through a combination of low-cost commodity raw materials and reactants with scalable and low environmental impact processes. Processing will involve mechanical milling and thermal reduction operations that are in wide application at industrial scale. The goal of this program is to reach most or all of the MRL 6 criteria in a pilot scale demonstration for the manufacturing of porous silicon powder, while minimizing raw material added cost and limiting hazardous and environmental impact and using scalable industrial processing (i.e. mechanical milling, thermal reduction). The Navitas μpSi fabrication process represents a novel approach to reduce the cost of silicon anode material manufacturing. This process has been shown to be more efficient (higher yield) and economical on scaling up than conventional metal-assisted etching. The process significantly reduces the cost on $/mAh basis versus existing anode materials. The μpSi powders can be modified to form nanocomposite structures through blending with graphite or coating with carbon or a metal oxide to decrease initial capacity loss (ICL) and improve cell cycle life, a key barrier to adoption of silicon anodes into EV batteries. The impact of this technology will be driven by the projected rate of EV adoption and market share. By reducing battery cost, the proposed technology will stimulate EV adoption rate. Assuming this technology enables capturing an additional 6% of the present PHEV + EV market the reduction in petroleum consumption would be 90,000 gallons of gasoline per day, or 1.6M barrels per year. The carbon emissions from a gallon of gasoline = 2.4 kg/gallon. Thus, if the proposed technology was incorporated into just 0.1% of all new vehicles produced and if all the electricity to power those electric-drive vehicles was produced from clean, renewable sources such as wind and solar, it would result in 15K metric tons/yr reduction of CO2 emissions.

25 ENERGY STORAGE↗

Nuclear Physics Network Requirements Review Report

The Energy Sciences Network (ESnet) is the Office of Science’s high-performance network user facility, delivering highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the U.S. Department of Energy (DOE) science mission by connecting each and every DOE lab and its user facilities. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) Program, and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. ESnet connects DOE national laboratories, user facilities, and major experiments so scientists can use remote instruments and computing resources as well as share data with collaborators, transfer large data sets, and access distributed data repositories. While ESnet provides network connectivity, it cannot be characterized as an internet service provider as it is specifically built to provide a range of network services that are tailored to meet the unique requirements of DOE’s data-intensive science. In short, ESnet’s mission is to enable and accelerate scientific discovery by delivering unparalleled network infrastructure, capabilities, and tools. ESnet’s vision is summarized by these three points. 1. Scientific progress will be completely unconstrained by the physical location of instruments, people, computational resources, or data. 2. Collaborations at every scale, in every domain, will have the information and tools they need to achieve maximum benefit from scientific facilities, global networks, and emerging network capabilities. 3. ESnet will foster the partnerships and pioneer the technologies necessary to ensure that these transformations occur. In May 2019, ESnet and the Office of Nuclear Physics (NP) of the DOE Office of Science organized an ESnet requirements review of NP-supported activities. Preparation for this event included identification of key stakeholders to the process: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the NP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task and facilitated a smooth transition to the in-person review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Energy Sciences Network (ESnet): Nuclear Physics Network Requirements Review Report

In May 2019, ESnet and the Office of Nuclear Physics (NP) of the DOE Office of Science organized an ESnet requirements review of NP-supported activities. Preparation for this event included identification of key stakeholders to the process: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the NP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task and facilitated a smooth transition to the in-person review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Difficulty of Defining the Terms Credible and Unlikely for Nuclear Criticality Safety Purposes

During the last revision of the ANSI/ANS-8.1-2014, extensive efforts were made by the working group (ANS-8.1) to ensure the statements in the standard clearly reflected their intent This effort involved the review of each requirement and recommendation in the standard. In some cases, definitions were added to the standard glossary to minimize ambiguity in the standard (e.g., “process conditions” or “parameter”). The working group also considered adding definitions for the words “credible” and “unlikely” because definitions had been provided to the nuclear criticality safety (NCS) community from the US Department of Energy that caused confusion at some sites. A Nuclear Regulatory Commission document intends for licensees to provide appropriate definitions for these words in their site license. The purpose of this paper is to discuss why the working group ultimately decided not to include definitions for credible and unlikely in the 2014 revision of ANS-8.1

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

The Difficulty of Defining the Terms 'Credible' and 'Unlikely' for Nuclear Criticality Safety Purposes

During the last revision of the ANSI/ANS-8.1-2014, extensive efforts were made by the working group (ANS- 8.1) to ensure the statements in the standard clearly reflected their intent. This effort involved the review of each requirement and recommendation in the standard. In some cases, definitions were added to the standard glossary to minimize ambiguity in the standard (e.g., 'process conditions' or 'parameter'). The working group also considered adding definitions for the words 'credible' and 'unlikely' because definitions had been provided to the nuclear criticality safety (NCS) community from the US Department of Energy that caused confusion at some sites. A Nuclear Regulatory Commission document intends for licensees to provide appropriate definitions for these words in their site license. The purpose of this paper is to discuss why the working group ultimately decided not to include definitions for credible and unlikely in the 2014 revision of ANS-8.1.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Low-temperature synthesis process of making MgzMxOy, where M is Mn, V or Fe, for manufacture of electrode materials for group II cation-based batteries

Preparation, characterization, and an electrochemical study of Mg 0.1 V 2 O 5 prepared by a novel sol-gel method with no high-temperature post-processing are disclosed. Cyclic voltammetry showed the material to be quasi-reversible, with improved kinetics in an acetonitrile-, relative to a carbonate-, based electrolyte. Galvanostatic test data under a C/10 discharge showed a delivered capacity >250 mAh/g over several cycles. Based on these results, a magnesium anode battery, as disclosed, would yield an average operating voltage ˜3.2 Volts with an energy density ˜800 mWh/g for the cathode material, making the newly synthesized material a viable cathode material for secondary magnesium batteries.

25 ENERGY STORAGE↗

Automated Space Processing Payloads Study. Volume 1: Executive Summary

An investigation is described which examined the extent to which the experiment hardware and operational requirements can be met by automatic control and material handling devices; payload and system concepts are defined which make extensive use of automation technology. Topics covered include experiment requirements and hardware data, capabilities and characteristics of industrial automation equipment and controls, payload grouping, automated payload conceptual design, space processing payload preliminary design, automated space processing payloads for early shuttle missions, and cost and scheduling.

Source record↗

Diversity and Inclusion in Spacecraft Science Teams: What Do We Know and What Can We Do About It?

Introduction: Not only does the planetary science community lack diversity [1-3], the subset of the community that participates on spacecraft science team is even less diverse than the community as a whole [1, 4]. Results of 2020 Workforce Survey: Previous studies of the diversity of members of spacecraft science teams made incorrect assumptions about the nature of the data before collecting the data. Those analyses assumed a binary gender and ignored the existence of planetary scientists who are neither men nor women [4-6]. We present here results where demographic data was collected without assumptions; each individual surveyed supplied their own answers to demographic questions. The April 2020 survey of Planetary Scientists, which was conducted by the Statistical Research Center of the American Institute of Physics (AIP) and funded by the American Astronomical Society (AAS)’s Division of Planetary Science (DPS) asked participants their gender with 4 possible responses: Woman, Man, Another identify (please specify if you wish), and Prefer not to answer. 32% of respondents chose Woman, 67% chose Man and 1% chose Another gender identity [1]. The survey also asked demographic questions on race, ethnicity, LGBTQ+ identity, and disability. For a full list of questions, see https://dps.aas.org/sites/dps.aas.org/files/reports/2020/survey2020_questionnaire.pdf. In addition to demographic questions, the 2020 Workforce survey asked how many times respondents had been involved in Mission proposals as a Principal Investigator (PI) and, separately, as a Co-Investigator (CoI) [1]. Answers to questions about mission involvement were correlated with answers to demographic questions and the results show that members of historically underrepresented groups (non-white scientists, women, members of the LGBTQ+ community, and disabled scientists) were less likely to be involved in spacecraft mission proposals than were members of historically overrepresented groups [1]. The figures below show the correlated responses for four different axes of underrepresentation [1]. Note that while the figure on gender shows only Women and Men (due to the small percentage of folks answering “Another gender”), non-binary respondents are included in the LGBTQ+ community figure. Conclusion: Being part of a spacecraft science team is a goal for many planetary scientists. With it comes brand new data, more stable funding, and a sense of awe and exploration. It can lead to a cascade of opportunities from conference and public presentations, to membership in subsequent mission teams, and prestige in the community [4]. As a result, participation in spacecraft teams can be used a measure of success within the field. From the survey results, we see that members of historically excluded groups, even after they have overcome barriers to participating in the field, are still experiencing barriers to success within the field itself. Why?: The diminishing percentage of members of underrepresented groups as a career progresses has been referred to as a “leaky pipeline”. However, this fails to adequately capture the experiences of the members of these underrepresented groups as it implies a passive process. In order to capture the active processes (bias, discrimination, harassment, and other exclusionary behaviors) that contribute to low retention in the workforce, the term “Hostile Obstacle Course” is more useful [7,8]. It is these processes that need to be addressed in order to retain valued members of our community. Moving Forward: In order to broaden participation in planetary science, particularly mission science teams, we need to address conditions that create hostile workplace climates. What can mission teams and other groups do to address these conditions? First, each group/team needs to evaluate their own members to determine what specific barriers exist in their own interactions. One tool to accomplish this would be an anonymous survey designed to understand how team members feel about working within the group. Working with professionals who know how to create and analyze such surveys (often called “climate surveys” when applied to University students, for example) would ensure that the survey meets its goals and does not make assumptions that counter the meaningfulness of the results. Such professionals in EDIA (Equity, Diversity, Inclusion, and Accessibility) and workplace culture can make suggestions for policy changes that would eliminate hostile workplace conditions. Policy changes that are often suggested include instituting professional EDIA training for the team and/or for team leadership, instituting and following a code of conduct [9], including more interactive group activities in group meetings, etc. Training and information on EDIA is available for all members of the planetary science community. The first place to look would be in your University or Institution’s EDIA or human resources offices. Bystander Intervention is often offered as part of other meetings [10]. A newer offering is a Workshop on EDIA for Leaders in Planetary Science led by Julie Rathbun (first author of this abstract) and JA Grier (https://edialps.psi.edu/). This 3-day workshop gives participants the tools they need to enact positive change in their personal and professional spheres. The first workshop was help in November 2022 and another workshop will take place in the late spring 2023 with exact dates to be announced soon.

J. A. Rathbun↗

Integrating end-to-end threads of control into object-oriented analysis and design

Current object-oriented analysis and design methodologies fall short in their use of mechanisms for identifying threads of control for the system being developed. The scenarios which typically describe a system are more global than looking at the individual objects and representing their behavior. Unlike conventional methodologies that use data flow and process-dependency diagrams, object-oriented methodologies do not provide a model for representing these global threads end-to-end. Tracing through threads of control is key to ensuring that a system is complete and timing constraints are addressed. The existence of multiple threads of control in a system necessitates a partitioning of the system into processes. This paper describes the application and representation of end-to-end threads of control to the object-oriented analysis and design process using object-oriented constructs. The issue of representation is viewed as a grouping problem, that is, how to group classes/objects at a higher level of abstraction so that the system may be viewed as a whole with both classes/objects and their associated dynamic behavior. Existing object-oriented development methodology techniques are extended by adding design-level constructs termed logical composite classes and process composite classes. Logical composite classes are design-level classes which group classes/objects both logically and by thread of control information. Process composite classes further refine the logical composite class groupings by using process partitioning criteria to produce optimum concurrent execution results. The goal of these design-level constructs is to ultimately provide the basis for a mechanism that can support the creation of process composite classes in an automated way. Using an automated mechanism makes it easier to partition a system into concurrently executing elements that can be run in parallel on multiple processors.

Mccandlish, Janet E.↗

The nonexistence of a paddlewheel effect in superionic conductors

Since the 1980s, the paddlewheel effect has been suggested as a mechanism to boost lithium-ion diffusion in inorganic materials via the rotation of rotor-like anion groups. However, it remains unclear whether the paddlewheel effect, defined as large-angle anion group rotations assisting Li hopping, indeed exists; furthermore, the physical mechanism by which the anion-group dynamics affect lithium-ion diffusion has not yet been established. In this work, we differentiate various types of rotational motions of anion groups and develop quaternion-based algorithms to detect, quantify, and relate them to lithium-ion motion in ab initio molecular dynamics simulations. Our analysis demonstrates that, in fact, the paddlewheel effect, where an anion group makes a large angle rotation to assist a lithium-ion hop, does not exist and thus is not responsible for the fast lithium-ion diffusion in superionic conductors, as historically claimed. Instead, we find that materials with topologically isolated anion groups can enhance lithium-ion diffusivity via a more classic nondynamic soft-cradle mechanism, where the anion groups tilt to provide optimal coordination to a lithium ion throughout the hopping process to lower the migration barrier. This anion-group disorder is static in nature, rather than dynamic and can explain most of the experimental observations. Our work substantiates the nonexistence of the long-debated paddlewheel effect and clarifies any correlation that may exist between anion-group rotations and fast ionic diffusion in inorganic materials.

36 MATERIALS SCIENCE↗

THE ZURICH ENVIRONMENTAL STUDY OF GALAXIES IN GROUPS ALONG THE COSMIC WEB. I. WHICH ENVIRONMENT AFFECTS GALAXY EVOLUTION?

The Zurich Environmental Study (ZENS) is based on a sample of ∼1500 galaxy members of 141 groups in the mass range ∼10{sup 12.5-14.5} M{sub ☉} within the narrow redshift range 0.05 < z < 0.0585. ZENS adopts novel approaches, described here, to quantify four different galactic environments, namely: (1) the mass of the host group halo; (2) the projected halo-centric distance; (3) the rank of galaxies as central or satellites within their group halos; and (4) the filamentary large-scale structure density. No self-consistent identification of a central galaxy is found in ∼40% of <10{sup 13.5} M{sub ☉} groups, from which we estimate that ∼15% of groups at these masses are dynamically unrelaxed systems. Central galaxies in relaxed and unrelaxed groups generally have similar properties, suggesting that centrals are regulated by their mass and not by their environment. Centrals in relaxed groups have, however, ∼30% larger sizes than in unrelaxed groups, possibly due to accretion of small satellites in virialized group halos. At M > 10{sup 10} M{sub ☉}, satellite galaxies in relaxed and unrelaxed groups have similar size, color, and (specific) star formation rate distributions; at lower galaxy masses, satellites are marginally redder in relaxed relative to unrelaxed groups, suggesting quenching of star formation in low-mass satellites by physical processes active in relaxed halos. Overall, relaxed and unrelaxed groups show similar stellar mass populations, likely indicating similar stellar mass conversion efficiencies. In the enclosed ZENS catalog, we publish all environmental diagnostics as well as the galaxy structural and photometric measurements described in companion ZENS papers II and III.

79 ASTRONOMY AND ASTROPHYSICS↗