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Dynamic Networks Experiment 2

Item Purpose: Presentation of LYNM DN DNE2 at the AFRL TIM. Internal Peer Review Status: This item has completed internal peer review. HQ review status: This item has been reviewed and approved by HQ.

Berg, Elizabeth Mary [Sandia National Laboratories↗

From Apollo to the Future, the NASA Curation Model for Engaging the Sample Science Community Maximizes Science on Extraterrestrial Samples

The Astromaterials Acquisition and Curation Office at Johnson Space Center (JSC) has enjoyed a long-term partnership (50 years!) with a broad community of planetary sample scientists. This partnership has enabled the curators of planetary samples to plan for and enact evolving requirements for preservation of sample scientific integrity and for handling and long-term storage. The basis for this relationship is a standing peer review advisory committee composed of leading scientists who are recognized for achievements in sample analysis. The committee and its descendants have brought familiarity with the most relevant scientific investigations and the associated analytical and contamination challenges. Beginning with Apollo, the review committee was charged with oversight of curatorial operations and with ensuring fair access to samples. As additional samples from other planetary bodies were acquired, the committee evolved, taking on new responsibilities, reflected in committee name changes. However, oversight of curatorial operations and fair allocation of samples remain basic responsibilities. Committee recommendations are sent to the NASA Headquarters Discipline Scientist for approval. To minimize conflict of interest and maximize fair access, the rules governing the make-up of the committee is structured. Systematic rotation of leadership and staggered terms of membership allow the committee to retain expertise while bringing in fresh ideas. The first peer review committee was called the Lunar Sample Analysis and Planning Team (LSAPT) and was formalized in early 1968 with about 15 members. Their function was to review a) the equipment and procedures used in the new Lunar Receiving Laboratory (LRL); b) the proficiency and capability of the LRL staff; c) the sequence of sample analysis and allocation after quarantine release; and d) the findings of the Preliminary Examination Team (PET). According to LSAPT member Gerald Wasserburg, one of the first issues they faced was deciding whether to have most of the sample analyses performed in house at the LRL or to distribute samples to members of the scientific community. LSAPT concluded that the major scientific investigations should be carried out externally to the LRL by scientists chosen for their expertise in specific disciplines. Further they recommended that the PET's basic characterization of samples be circulated to the broad scientific community. LSAPT set its own agenda, paid attention to facility details, closely monitored the move of samples from the LRL to the interim curatorial facility in 1973, and was active in inspecting curation facilities. Between 1975 and 1979, a Facility Subcommittee of LSAPT oversaw the design and construction of a permanent facility for preservation of lunar samples. The result was an outstanding facility still in use today. In 1977, a separate peer review committee, the Meteorite Working Group (MWG), was formed to evaluate requests for new meteorites then being collected in Antarctica under what would in 1980 become a 3-agency agreement (National Science Foundation, NASA, Smithsonian Institution). By 1979, after lunar samples were moved into the new permanent facility, the vacated gloveboxes and laboratory were prepared for meteorite curation. Recognizing that LSAPT had been helpful in setting up the JSC curatorial facility for Antarctic meteorites, JSC recommended the review committee be given expanded duties, including advice on curation and analysis of materials from other planetary bodies and the name be changed to Lunar and Planetary Sample Team (LAPST). In 1993, LAPST was renamed the Curation and Analysis Planning Team for Extraterrestrial Materials (CAPTEM) to reflect additional functions. CAPTEM is chartered to be (1) a community-based, interdisciplinary forum for discussion and analysis of matters concerning the collection and curation of extraterrestrial samples, including planning future sample return missions and (2) a standing review panel, charged with evaluating proposals requesting allocation of all extraterrestrial samples contained in NASA collections. Efficiency and flexibility are gained through use of subcommittees, both ad hoc and standing. Transition of the MWG to a subcommittee of CAPTEM was completed in 2017. Today subcommittees review allocation requests for lunar samples, Antarctic meteorites, cosmic dust, Stardust cometary samples, Genesis solar wind samples, and samples returned from asteroids. Other subcommittees address facilities, informatics, and micro-cratered substrates. Planetary samples have been sent to research teams in over 30 countries world-wide. The expertise in the care and fair distribution of astromaterials by NASA using this model spans generations of planetary sample scientists and is a valuable resource to be tapped for future sample returns - OSIRIS-REx, Hayabusa 2, and Mars 2020.

Allton, Judith↗

Rapid Turn Around BRIC-PDFU Payload: A New Paradigm for Spaceflight Experiments

In 2009, NASA's Fundamental Space Biology program provided an opportunity for investigators to propose for a quick-turn-around multi-user spaceflight experiment that focused on the model plant species Arabidopsis thaliana. This was a passive payload with no on-orbit power or communications available. An NRA was rapidly written (8/09), released (NNH09ZTT004N; 9/09), proposals were received (11/09) and peer reviewed with 3 PI groups selected for flight (1/10): (1) A-L Paul, University of Florida, (2) E. Blancaflor, Noble Foundation, (3) J. Kiss, Miami University. The investigators flew Arabidopsis seeds or callus cultures of their choosing (plated onto 60 mm diameter Petri dishes containing agarsolidified media) on the STS-131 Space Shuttle mission (launched 4/5/10) and the resulting plant tissues returned to earth on 4/20/10. Each petri dish was placed inside its own Petri Dish Fixation Unit (PDFU), which was assembled and loaded with either formaldehyde, glutaraldehyde or RNAlater for crew-facilitated on-orbit fixation. Five PDFUs plus a temperature data logger were loaded into each of 8 BRIC-PDFUs (Biological Research In Canisters PDFU). All eight BRIC-PDFUs were loaded into a half tray along with actuator equipment that the crew used for the fixations. Pre-flight turn-over was 28 hours prior to launch. The BRIC-PDFU assemblies were removed from the orbiter and handed over to the investigator teams for processing 5-6 hours after landing. This payload demonstrated a rapid response turnaround for flying multiple peer-reviewed science investigations using previously flown hardware and minimal ISS-resources. The approach used reduced both hardware/certification and PI costs. The time waiting for a flight opportunity for the selected Pls was minimal. This new paradigm for spaceflight experiments may provide a model for future flight research opportunities. The ultimate goal is to fly as many investigators as rapidly as possible and reinvigorate the space biology community while obtaining high-quality, peer-reviewed science.

Levine, Howard G.↗

Advances in Mixed Precision Algorithms: 2021 Edition

Over the last year, the ECP xSDK-multiprecision effort has made tremendous progress in developing and deploying new mixed precision technology and customizing the algorithms for the hardware deployed in the ECP flagship supercomputers. The effort also has succeeded in creating a cross-laboratory community of scientists interested in mixed precision technology and now working together in deploying this technology for ECP applications. In this report, we highlight some of the most promising and impactful achievements of the last year. Among the highlights we present are: Mixed precision IR using a dense LU factorization and achieving a 1.8× speedup on Spock; results and strategies for mixed precision IR using a sparse LU factorization; a mixed precision eigenvalue solver; Mixed Precision GMRES-IR being deployed in Trilinos, and achieving a speedup of 1.4× over standard GMRES; compressed Basis (CB) GMRES being deployed in Ginkgo and achieving an average 1.4× speedup over standard GMRES; preparing hypre for mixed precision execution; mixed precision sparse approximate inverse preconditioners achieving an average speedup of 1.2×; and detailed description of the memory accessor separating the arithmetic precision from the memory precision, and enabling memory-bound low precision BLAS 1/2 operations to increase the accuracy by using high precision in the computations without degrading the performance. We emphasize that many of the highlights presented here have also been submitted to peer-reviewed journals or established conferences, and are under peer-review or have already been published.

97 MATHEMATICS AND COMPUTING↗

Advances in Mixed Precision Algorithms: 2021 Edition

Over the last year, the ECP xSDK-multiprecision effort has made tremendous progress in developing and deploying new mixed precision technology and customizing the algorithms for the hardware deployed in the ECP flagship supercomputers. The effort also has succeeded in creating a cross-laboratory community of scientists interested in mixed precision technology and now working together in deploying this technology for ECP applications. In this report, we highlight some of the most promising and impactful achievements of the last year. Among the highlights we present are • Mixed precision IR using a dense LU factorization and achieving a 1.8× speedup on Spock; • Results and strategies for mixed precision IR using a sparse LU factorization; • A mixed precision eigenvalue solver; • Mixed Precision GMRES-IR being deployed in Trilinos, and achieving a speedup of 1.4× over standard GMRES; • Compressed Basis (CB) GMRES being deployed in Ginkgo and achieving an average 1.4× speedup over standard GMRES; • Preparing hypre for mixed precision execution; • Mixed precision sparse approximate inverse preconditioners achieving an average speedup of 1.2×; • Detailed description of the memory accessor separating the arithmetic precision from the memory precision, and enabling memory-bound low precision BLAS 1/2 operations to increase the accuracy by using high precision in the computations without degrading the performance. We emphasize that many of the highlights presented here have also been submitted to peer-reviewed journals or established conferences, and are under peer-review or have already been published.

97 MATHEMATICS AND COMPUTING↗

Smart manufacturing maturity models and their applicability: a review

The purpose of this paper is to review existing smart manufacturing (SM) maturity models' dimensions and maturity levels to assess their applicability and drawbacks. There are many maturity models available but many of them have not been validated or do not provide a useful guide or tool for applications. This gap creates the need for a review of the existing maturity model's applicability. Nineteen peer-reviewed maturity models related to “Digital Transformation,” “Industry 4.0” or “Smart Manufacturing” were selected based on a systematic literature review and five consulting firm models were selected based on the author's industry knowledge. The chosen models were analyzed to determine 10 categories of dimensions. Then they are assessed on a 1–5 scale for how applicable they are in the 10 categories of dimensions. The five “consulting firm” models have a first-mover advantage, are more widely used in industry and are more applicable, but some require payment, and they lack published details and validation. The 19 “peer reviewed” models are not as widely used, lack awareness in the industry and are not as easy to apply because of no web tool for self-assessment, but they are improving. The categories defined to characterize the models and facilitate comparisons for users include “Information Technology (IT) and Cyber-Physical System (CPS) and Data,” “Strategy and Organization,” “Supply Chain and Logistics,” “Products and Services,” “Culture and Employees,” “Technology and Capabilities,” “Customer and Market,” “Cybersecurity and Risk,” “Leadership and Management” and “Governance and Compliance.” The analyzed maturity models were particularly weak in the areas of cybersecurity, leadership and governance. Researchers and practitioners can use this review with consideration of their specific needs to determine if a maturity model is applicable or if a new model needs to be developed. The review can also aid in the development of maturity models through the discussion of each of the dimension categories. Finally, compared to existing reviews of SM maturity models, this research determines comprehensive dimension categories and focuses on applicability and drawbacks.

42 ENGINEERING↗

Natural gas odorants: A scoping review of health effects

Organosulfur compounds are intentionally added to natural gas as malodorants with the intent of short-term nasal inhalation to aid in leak detection. Regulatory exposure limits have not been established for all commonly used natural gas odorants, and recent community-level exposure events and growing evidence of indoor natural gas leakage have raised concerns associated with natural gas odorant exposures. We conducted a scoping review of peer-reviewed scientific publications on human exposures and animal toxicological studies of natural gas odorants to assess toxicological profiles, exposure potential, health effects and regulatory guidelines associated with commonly used natural gas odorants. We identified only 22 studies which met inclusion criteria for full review. Overall, there is limited evidence of both transient nonspecific health symptoms and clinically diagnosed causative neurotoxic effects associated with prolonged odorant exposures. Across seven community-level exposure events and two occupational case reports, consistent symptom patterns included: headache, ocular irritation, nose and throat irritation, respiratory complaints such as shortness of breath and asthma attacks, and skin irritation and rash. Of these, respiratory inflammation and asthma exacerbations are the most debilitating, whereas the high prevalence of ocular and dermatologic symptoms suggest a non-inhalation route of exposure. The limited evidence available raises the possibility that organosulfur odorants may pose health risks at exposures much lower than presently understood, though additional dose-response studies are needed to disentangle specific toxicologic effects from nonspecific responses to noxious organosulfur odors. Numerous recommendations are provided including more transparent and prescriptive natural gas odorant use practices.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

From models to reality: a systematic review on simulated and measured residential heat pump energy savings

High-performance HVAC solutions are central to residential energy management. A substantial share of these are electric, reversible-cycle systems, with heat pumps representing the largest portion of current and near-term adoption. This review synthesizes peer-reviewed and grey literature on residential space heating and cooling heat pumps. The academic literature is dominated by modeling (73.8%), with limited field measurement (13.1%). Grey literature from United States serve as a supplemental resource providing measured savings. Conversions from electric-resistance heating consistently show the largest site energy reductions, while oil/propane baselines yield moderate savings, and gas baseline scenario often deliver small and region-dependent savings. This study cross-checks the grey literature measured data with simulation data filtered from the ResStock dataset. The comparison indicates a discrepancy between simulations and measured data: simulated site EUIs are typically lower than measured EUIs, but percentage energy savings fall in similar ranges, implying simulations capture directional effects while underestimating energy use. Factors associated with variability and model–measurement differences include system characterization and control representation (e.g., backup heat engagement, thermostat/setpoint strategies, commissioning/installation quality), occupant behavior, weather normalization, metering scope, and envelope characterization. This paper also outlines the proposed methodology for comparing simulation and measured data for heat pumps. It emphasizes the metrics used for comparison and units harmonization, building characteristics matching, and compact metadata are needed for simulations to match measured data. The proposed methodology is expected to improve the credibility of simulated savings as measured evidence grows.

Yu, Lili↗

Learning Operators for Structure-Informed Surrogate Models

This report summarizes the work performed under the author's two-year John von Neumann LDRD project, which involves the non-intrusive surrogate modeling of dynamical systems with remarkable structural properties. After a brief introduction to the topic, technical accomplishments and project metrics are reviewed including peer-reviewed publications, software releases, external presentations and colloquia, as well as organized conference sessions and minisymposia. The report concludes with a summary of ongoing projects and collaborations which utilize the results of this work.

97 MATHEMATICS AND COMPUTING↗

Application of aerosol-ice nucleating particle closure to establish the leading parameters governing ice crystal number concentration under commonly observed mixed-phase cloud conditions

This is the final technical report for DOE DE-SC0021034 award entitled “Application of aerosol-ice nucleating particle closure to establish the leading parameters governing ice crystal number concentration under commonly observed mixed-phase cloud conditions”. The overarching objective of this project was to gain a predictive understanding of the processes that lead from aerosols to ice-nucleating particles (INPs) to ice crystal number concentrations (ICNCs) in stratiform mixed-phase clouds where supercooled water droplets and ice crystals coexist, and to inform climate model parameterizations. During this four-year project we addressed the three main research goals of this objective: 1) Study the aerosol-INP link; 2) Develop an aerosol-cloud column model (AC-1D); and 3) Study the INP-ICNC link. Those activities significantly advanced our predictive understanding of how to represent INPs in could models and its implications on ice crystal number concentrations. The results have been published in five peer-reviewed publications with three more in review and preparation. It allowed for collaboration resulting in additional fourteen peer-reviewed publications that are concerned with the objective of this research project. This research has been communicated to the scientific community at national and international meetings and conferences by numerous talks, seminars, and posters including fifteen invited presentations. This project allowed training of four graduate students and one postdoctoral research associate resulting in one M.S. thesis and advancement to Ph.D. candidacy.

54 ENVIRONMENTAL SCIENCES↗

International Symposium on Fast Glacier Flow

Cryospheric Sciences Program "International Symposium on Fast Glacier Flow" (PI, C. Lingle) provided partial support for publication of Annals of Glaciology 36 by the International Glaciological Society. Annals of Glaciology is a peer-reviewed journal. Annals 36, which was published in 2003, contains 39 peer-reviewed and edited papers from the International Symposium on Fast Glacier Flow, which was held in Yakutat, Alaska, 10-14 June 2002.

Lingle, Craig S.↗

The Influence of Aqueous Dispersivity on Transport of Radiological Material at LANL MDA G - 20450

Aqueous dispersivity is a phenomenon by which a solute moving in groundwater mixes with water that does not contain the solute and becomes diluted. Solutes take paths of varying lengths through pore networks or experience slower velocities due to interactions with pore walls. Aqueous dispersivity leads to breakthrough curves with earlier arrival than expected in purely advective systems and persistent 'tails,' or late-arriving, dilute concentrations of the solute. Dispersivity can be longitudinal (in the direction of flow) or transverse (orthogonal to flow). LANL has disposed of radioactive material at Material Disposal Area (MDA) G since the late 1950's. Most of the disposed materials at MDA G are low-level waste (LLW), but other types of radioactive wastes are disposed or stored at the site. For example, there is a collection of remote-handled transuranic waste (RH-TRU) waste in 33 shafts, which were intended to be stored retrievably. Aqueous-phase radionuclides included in models of contaminant transport at MDA G are subject to dispersive processes in porous media of the vadose zone and saturated zone. To model dispersivity at MDA G probabilistically, we created site-specific distributions of aqueous dispersivity. First, we performed a comprehensive review of peer-reviewed publications, reports from other performance assessments of MDA G, and documentation from sites that were considered similar based on expert opinion, such as Yucca Mountain. Data were included from a wide range of sources, so that distributions developed based on the data reflect the current state of knowledge in properties of the subsurface environment. Data were grouped based on value type (e.g., determined via experiment or used in a different model), rock type, zone type (saturated or unsaturated), and site, and were weighted in the distributions according to their relevance to the site and zone type. We combined Monte Carlo simulation and bootstrapping techniques to produce approximate distributions of mean aqueous dispersivity. Distributions of dispersivity for saturated and unsaturated zone transport are differentiated by data weight and the length scales over which transport occurs. We find that underestimating or disregarding transverse dispersivity may lead to overstating simulated well capture in the saturated zone at MDA G. Neglecting transverse dispersivity is a common assumption due in part to use of one-dimensional transport models that do not consider solute spreading orthogonal to flow. Also, we find that variability in longitudinal dispersivity is associated with substantial travel time alterations in the MDA G unsaturated zone and in simulated contaminant breakthrough times at a downstream observation plane in the MDA G saturated zone. Finally, at large scales (>1000 m), a linear trend between the dispersivity coefficient and length over which transport occurs may overestimate the dispersivity coefficient. Future modeling work with application to solute spreading could include interacting advective and diffusive zones in the highly fractured basalt below MDA G. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

AMPED EFRC: Alliance for Molecular PhotoElectrode Design for Solar Fuels

Inspired by natural photosynthesis, the mission of the AMPED EFRC was to develop the fundamental molecular basis for solar-driven water oxidation and carbon dioxide reduction catalysis with dye-sensitized photoelectrodes. From 2014-2022, the Center advanced the state-of-the-art in molecule-decorated photoanodes for water oxidation and broke new ground in the development of photocathodes for CO 2 reduction. A collaborative approach brought together experts in inorganic synthesis, organometallic catalysis, interfacial materials synthesis, photoelectrochemistry, and time-resolved dynamics to address by Grand Challenges in the 2007 DOE BESAC report. Since 2009, the UNC EFRC has published 314 peer-reviewed journal articles, and 2 book chapters. More specifically there were 146 peer-reviewed publications,1-146 during the 2014-20 funding cycle, with 80% supported solely by the EFRC, and about half resulting from collaborations among multiple PIs. Three major scientific research areas emerged from AMPED that are described below with details of the most impactful advances for solar energy research.

14 SOLAR ENERGY↗

Advanced Perovskite Solar Cells and Modules

The “Advanced perovskite Cells and Modules” research project was the final agreement focused on enhancing perovskite solar cell (PSC) technologies funded by the US Department of Energy's Solar Energy Technologies Office. The project was designed to address three crucial areas in PSC development: stability, manufacturability, and efficiency. The project was then structured around three main tasks, each targeting one of these strategic goals. The team of experienced researchers in these materials worked collaboratively to address the targets outlined in the technical work plan. building on existing PSC research while also exploring promising new concepts arising in the field. An overview of each primary task is summarized below: Task 1 Stability: This first task, aims to identify material characteristics and metrics that can help predict the primary degradation mechanisms impacting PSC stability. This involved developing specific device tests based on hypotheses regarding mechanisms impacting stability, including fast failure procedures to speed up PSC development and improvement. Various strategies to enhance stability, like incorporating additives, post-treatments, novel contact materials etc. were developed using this fast feedback approach. The relationships between indoor and outdoor stresses were also validated. Task 2 Manufacturability: This second task, focused on creating a scalable production process for PSCs. Initially the objective is to establish a best-known method for a 182 cm2 minimodule. However, given resource limitations, these metrics were modified to focus on the other goal of outlined in the TWP. Specifically, this task worked to demonstrate the transferability of this best-known method to another research institution. Work scope in this area was expanded to material purity and understanding of reagent/process relationships. Examination of other difficulties in PSC production and potential solutions for large-scale production were also evaluated. Given challenges observed in process transfer, work to develop data infrastructure and recording tools for processing of material and devices was then also prioritized in this task. Task 3 Efficiency: This task was focused on improvements to PCE, while still considering Task 1 and Task 2 goal. The efforts targeted a PCE greater than 22% with a T95 exceeding 1000 hours at 25°C in a nitrogen environment for lab-scale devices (approximately 0.1 cm2 devices) across a range of solar-relevant perovskite compositions, including wide-gap (around 1.7 eV) and low-gap (around 1.3 eV) materials, using standard metal contacts. This work then provides a foundation for MHP-based tandem efforts undertaken in other projects and the All-MHP tandem efforts outlined in this projects TWP. Work in this project emphasized disseminating its findings through peer-reviewed publications (PRP), conference presentations, and industrial collaborations. Significant products were produced in all these areas, over 53 peer reviewed publications, 32 conference presentations and industrial investment based on NLR assistance on precompetitive challenges. The team also developed significant intellectual property and awards for their technical excellence, innovations and leadership. The team also leveraged traditional and social media platforms to engage with stakeholders and the public.

14 SOLAR ENERGY↗

Developing new pathways for energy and environmental decision-making in India: a review

Abstract India faces a dual challenge of economic development and responding to climate change. Although India’s per capita emissions are well below global average, the country is one of the world’s largest greenhouse gas emitters. Indian policymakers and stakeholders require high-quality data and research to assess low-emissions, sustainable development strategies. Peer-reviewed literature is a key source of this information and also a key venue for conversation amongst research leaders. This paper examines the recent peer-reviewed literature on India’s 2030 and 2050 pathways. We conducted a systematic literature review to identify key quantitative national modeling studies. From the 34 studies identified, we synthesized scenario data to draw common conclusions and identify critical research gaps. The main focus was on examining the coverage and the state of information available on low-carbon pathways. Overall, we find a few scenarios that are potentially consistent with a 2070 net-zero goal, but more limited assessment of pathways to reach net-zero emissions before this date. Mitigation pathways with greater ambition are required across all energy sectors to ensure a smooth transition to net-zero emissions by or before 2070. The scenarios confirm that reducing emissions to below 2 GtCO 2 yr −1 by mid-century would necessitate significant transformations of the Indian energy sector, such as, a decrease in unabated coal power capacity, transportation modal shift, and industrial process switching. The assessment also finds substantial differences in final energy estimates reported across studies, particularly in transportation. The lack of consistency in, and transparency about underlying drivers, assumptions, and even outputs across studies points to the critical need for the sorts of coordinated, multi-model studies that have proven exceptionally valuable for decision makers in other major emitting countries.

54 ENVIRONMENTAL SCIENCES↗

Report on the loss of the Mars Climate Orbiter Mission : JPL special review board

The Mars Climate Orbiter (MCO) was launched on December 11, 1998. The MCO was to arrive at Mars and begin orbit insertion on September 23, 1999. The Mars Orbit Insertion (MOI) burn, a 16-minute maneuver to slow the spacecraft and enable capture into an orbit around Mars, began on schedule. Five minutes into the maneuver, and approximately 49 seconds before the anticipated time for loss of communication, the MCO was occulted by Mars. Thereafter, no contact with the spacecraft could be established. On September 24, 1999, an internal JPL team (the MCO Peer Review Team) was appointed to help investigate the reason for the loss of spacecraft signal. The Peer Review Team's findings are presented in this report.

Mars Climate Orbiter↗