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DOE OSTI2020

Roles for Countercharge in the Voltage Sensor Domain of Ion Channels

Voltage-gated ion channels share a common structure typified by peripheral, voltage sensor domains. Their S4 segments respond to alteration in membrane potential with translocation coupled to ion permeation through a central pore domain. The mechanisms of gating in these channels have been intensely studied using pioneering methods such as measurement of charge displacement across a membrane, sequencing of genes coding for voltage-gated ion channels, and the development of all-atom molecular dynamics simulations using structural information from prokaryotic and eukaryotic channel proteins. One aspect of this work has been the description of the role of conserved negative countercharges in S1, S2, and S3 transmembrane segments to promote sequential salt-bridge formation with positively charged residues in S4 segments. These interactions facilitate S4 translocation through the lipid bilayer. In this review, we describe functional and computational work investigating the role of these countercharges in S4 translocation, voltage sensor domain hydration, and in diseases resulting from countercharge mutations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2005

NASA Earth Sciences Data Support System and Services for the Northern Eurasia Earth Science Partnership Initiative

The presentation describes data management of NASA remote sensing data for Northern Eurasia Earth Science Partnership Initiative (NEESPI). Many types of ground and integrative (e.g., satellite, GIs) data will be needed and many models must be applied, adapted or developed for properly understanding the functioning of Northern Eurasia cold and diverse regional system. Mechanisms for obtaining the requisite data sets and models and sharing them among the participating scientists are essential. The proposed project targets integration of remote sensing data from AVHRR, MODIS, and other NASA instruments on board US- satellites (with potential expansion to data from non-US satellites), customized data products from climatology data sets (e.g., ISCCP, ISLSCP) and model data (e.g., NCEPNCAR) into a single, well-architected data management system. It will utilize two existing components developed by the Goddard Earth Sciences Data & Information Services Center (GES DISC) at the NASA Goddard Space Flight Center: (1) online archiving and distribution system, that allows collection, processing and ingest of data from various sources into the online archive, and (2) user-friendly intelligent web-based online visualization and analysis system, also known as Giovanni. The former includes various kinds of data preparation for seamless interoperability between measurements by different instruments. The latter provides convenient access to various geophysical parameters measured in the Northern Eurasia region without any need to learn complicated remote sensing data formats, or retrieve and process large volumes of NASA data. Initial implementation of this data management system will concentrate on atmospheric data and surface data aggregated to coarse resolution to support collaborative environment and climate change studies and modeling, while at later stages, data from NASA and non-NASA satellites at higher resolution will be integrated into the system.

Leptoukh, Gregory↗

NASA NTRS2015

International Space Station Earth Observations Working Group

The multilateral Earth Observations Working Group (EOWG) was chartered in May 2012 in order to improve coordination and collaboration of Earth observing payloads, research, and applications on the International Space Station (ISS). The EOWG derives its authority from the ISS Program Science Forum, and a NASA representative serves as a permanent co-chair. A rotating co-chair position can be occupied by any of the international partners, following concurrence by the other partners; a JAXA representative is the current co-chair. Primary functions of the EOWG include, 1) the exchange of information on plans for payloads, from science and application objectives to instrument development, data collection, distribution and research; 2) recognition and facilitation of opportunities for international collaboration in order to optimize benefits from different instruments; and 3) provide a formal ISS Program interface for collection and application of remotely sensed data collected in response to natural disasters through the International Charter, Space and Major Disasters. Recent examples of EOWG activities include coordination of bilateral data sharing protocols between NASA and TsNIIMash for use of crew time and instruments in support of ATV5 reentry imaging activities; discussion of continued use and support of the Nightpod camera mount system by NASA and ESA; and review and revision of international partner contributions on Earth observations to the ISS Program Benefits to Humanity publication.

Stefanov, William L.↗

NASA NTRS2017

YADA: Yet Another Distributed Architecture for Real-Time Robotic Control Systems

This paper presents YADA, a new software architecture for real-time robotic control systems that is minimal, modular, and fully transparent. YADA divides control software into decoupled behavior, user-interface, and hardware-level bus modules. This decoupling at the module level is accomplished by auto-generating human-readable message types that are tailored to the hardware topology oft he current system. These message types provide modules with a common framework for exchanging state information and relaying commands to devices while being agnostic to the communication protocol itself. We also detail how to structure behavior and bus modules to facilitate modularity and flexibility with third party software. YADA has been used with success on several technology development testbeds at JPL, an example of which is given in this paper, and has proven to provide developers a light-weight and highly reconfigurable system for efficient debugging and practical code sharing

Godart, Peter↗

NASA NTRS2020

LAURA Users Manual: 5.6

This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multiblock, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent recompilations, providing more intuitive distribution of functionality, and simplifying inter- faces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flow field radiation.

Aerodynamics↗

NASA NTRS2019

The HST Lightcurve of (486958) 2014 MU69

We report Hubble Space Telescope (HST) lightcurve observations of the New Horizons spacecraft encounter Kuiper Belt object (KBO) (486958) 2014 MU69 acquired near opposition in July 2017. In order to plan the optimum flyby sequence the New Horizons mission planners needed to learn as much as possible about the target in advance of the encounter. Specifically, from lightcurve data, encounter timing could be adjusted to accommodate a highly elongated, binary, or rapidly rotating target. HST astrometric (Porter et al., 2018) and stellar occultation (Buie et al., 2018) observations constrained MU69's orbit and diameter (21–41 km for an albedo of 0.15–0.04), respectively. Photometry from the astrometric dataset suggested a variability of ≥0.3 mags, but they did not determine the period or provide shape information. To that end we strategically spaced 24 HST orbits over 9 days to investigate rotation periods from approximately 2–100 h and to better constrain the lightcurve amplitude. Until New Horizons detected MU69 in its optical navigation images beginning in August 2018, this HST lightcurve campaign provided the most accurate photometry to date. The mean variation in our data is 0.15 magnitudes which suggests that MU69 is either nearly spherical (a:b axis ratio of 1:1.15), or its pole vector is pointed near the line of sight to Earth; this interpretation does not preclude a near-contact binary or bi-lobed object. However, image stacks do conclude that MU69 does not have a binary companion ≥2000 km with a sensitivity to 29th magnitude (an object a few km in size for an albedo of 0.04–0.15). Our data are not of sufficient signal to noise to uniquely determine the period or amplitude, however, they did provide the necessary information for spacecraft planning. We report with confidence that MU69 is not both rapidly rotating and highly elongated (which we define as a lightcurve amplitude ≥ 0.5 magnitude). Since this paper is being published post fly-by, we note that our results are consistent with the fly-by imagery and orientation of MU69 (Stern et al., 2019). The combined dataset also suggests that within the KBO lightcurve literature there are likely other objects which share a geometric configuration like MU69 resulting in an underestimate of the contact binary fraction for the Cold Classical Kuiper Belt.

S D Benecchi↗

NASA NTRSDate not supplied

Learning Based Edge Computing in Air-to-Air Communication Network

This paper studies learning-based edge computing and communication in a dynamic Air-to-Air Ad-hoc Network (AAAN). Due to spectrum scarcity, we assume the number of Air-to-Air (A2A) communication links is greater than that of the available frequency channels, such that some communication links have to share the same channel, causing co-channel interference. We formulate the joint channel selection and power control optimization problem to maximize the aggregate spectrum utilization efficiency under resource and fairness constraints. A distributed deep Q learning-based edge computing and communication algorithm is proposed to find the optimal solution. In particular, we design two different neural network structures and each communication link can converge to the optimal operation by exploiting only the local information from its neighbors, making it scalable to large networks. Finally, experimental results demonstrate the effectiveness of the proposed solution in various AAAN scenarios.

Zhe Wang↗

DOE OSTI2022

Systems and Implementation: Integrating Unmanned Aircraft Systems into Physical Protection Systems at Fixed Sites and During Transportation

Physical protection systems, and response forces in particular, are designed to prevent an adversary from successfully completing a malevolent act against a facility or transport operations. Timely detection and assessment of any potential adversary action against a target is an essential element of materials security. The timely detection and assessment must then be followed-up by a capable and timely response that might be enhanced with the additional situational awareness provided by unmanned aircraft systems (UAS). The United States Department of Energy’s National Nuclear Security Administration Office of International Nuclear Security has been exploring capabilities provided by UAS to support response force operations within the physical protection system. UAS have the potential to provide response force commanders and operators with situational awareness in assessing adversary locations and actions as well as the locations of responders. UAS may be utilized for area searches ahead of responder pathways to identify potential threats and to provide situational awareness of areas not normally covered by cameras (such as areas outside the fence line outside at fixed facilities). In addition, UAS can provide real-time information to transportation convoy teams that pass through constantly changing public access environments. This paper will provide operational recommendations to be addressed when integrating UAS into existing physical protection systems at fixed sites and during transport. Recommendations will include aspects of the following: needs analysis; tactics and techniques to support detection and assessment as well as response force deployment; remote pilot selection, qualifications, training, and currency; UAS selection criteria; UAS laws and regulations; possible cost sharing with other facility operations; and on-scene emergency management.

Stockwell, Brandon↗

DOE OSTI2026

Developing a Process for Collaboration-Based Siting of a Federal Consolidated Interim Storage Facility in the United States: Learning from Communities Living with Legacy Waste

In June of 2023, the U.S. Department of Energy (DOE), Office of Nuclear Energy (NE) announced the selection of its Collaboration-Based Siting (CBS) Consortia, a group of 12 awardees, including the Consortium for Risk Evaluation with Stakeholder Participation (CRESP) (led by Vanderbilt University) to assist DOE-NE with the development of its process for siting a federal consolidated interim storage facility (FCISF) for spent nuclear fuel (SNF) storage. At this time, DOE NE is not soliciting interested host communities, rather the CBS Consortia are tasked with in-depth engagement, mutual learning, and capacity building to provide DOE NE with feedback on the CBS process. CRESP’s objective is to engage communities in two regions (the Pacific Northwest and the Southeast) with sites currently storing defense- and research-related SNF to foster learning concerning the best and worst practices in community participation in risk-informed decision making. This includes learning from existing structures for public input in radioactive waste management decision making [e.g. citizen advisory boards (CABs)] and other local parties about how to build and sustain trust among the parties. CRESP has been working to engage stakeholders and Tribes surrounding two DOE sites historically differing in receptiveness to engaging with DOE and trusting in DOE to accomplish its missions. CRESP’s approach to date has consisted of (1) engaging voluntarily members and former members of the DOE Office of Environmental Management’s CABs to develop a mutual understanding of their perspectives, values, and experiences related to risk and participatory decision making; (2) engaging members of those communities that would likely be part of any radioactive waste management discussions and who may provide valuable feedback for the development of the CBS process; and in the longer term, (3) engaging communities to foster knowledge sharing on understanding and definitions of risk and how risk is factored into community decision making. Our emphasis is to identify opportunities for improving risk communication frameworks, strategies, and decision making. The selection of a future FCISF site is likely to result in the creation of a structure similar to a CAB composed of members of the local community. We anticipate that these insights can help DOE NE learn from existing participatory risk communication structures in place at sites storing defenseor research-related SNF to understand best practices for fostering enduring and participatory relationships with future CABs. Within this paper, we (1) describe CRESP’s overall approach to assisting DOE NE with maturing the CBS process; (2) present a summary of preliminary phase 1 project results, including the development of a body of knowledge (describing available resources to support community engagement, risk communica tion, and participatory decision making) and community ecosystem information (leveraging demographic, social, economic, and environmental attribute mapping and advanced sentiment analysis of social media data); and (3) based on these results, provide observations for future research opportunities to support the development of CBS processes for radioactive waste management facilities, generally.

collaboration-based siting↗

DOE OSTI2023

Is land use producing robust signals in future projections from Earth system models, all else being equal?

Abstract We use six Earth system models (ESMs) run under SSP3-7.0, a scenario characterized by a relatively large land use change (LUC) over the 21st century, and under a variant of the same scenario where a significantly different pattern of LUC, taken from SSP1-2.6, was used, all else being equal. Our goal is to identify changes in climate extremes between the two scenarios that are statistically significant and robust across the ESMs. The motivation for this study is to test a long-held assumption of the shared socio-economic pathway-representative concentration pathway (SSP-RCP) scenario framework: that the signal from LUC can be safely disregarded when pairing different SSPs to the compatible RCPs, where compatibility only considers global radiative forcing, predominantly determined by well-mixed greenhouse gasses emissions. We analyze extremes of daily minimum and maximum temperatures and precipitation, after fitting non-stationary generalized extreme value distributions in a way that borrows strength along the length of the simulation (2015–2100) and across initial condition ensembles. We consider changes in the 20 year return levels (RL20s) of these metrics by 2100, and focus on eight locations where LUC is large within each scenario, and strongly differs between scenarios, averaging the RL20s over a neighborhood characterized by the same LUC to enhance the signal to noise. We find that precipitation extremes do not show significant differences attributable to LUC differences. For temperature extremes (cold and hot) results are mixed, with some location-index combination showing significant results for some of the ESMs but not all, and not many coherent changes appearing for indices across regions, or regions across indices. These ESMs are representative of what is typically adopted as the source of climate information for impact studies, when the SSP-RCP framework is put to use. Overall, our analysis suggests that the hypothesis to pair SSPs to RCPs in a flexible fashion is overall defensible. However, the appearance of some coherence in a few locations and for some indices invites further investigation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

When do different scenarios of projected electricity demand start to meaningfully diverge?

Resource adequacy studies look at balancing electricity supply and demand on 10- to 15-year time horizons while asset investment planning typically evaluates returns on 20- to 40-year time horizons. Projections of electricity demand are factored into the decision-making in both cases. Climate, energy policy, and socioeconomic changes are key uncertainties known to influence electricity demands, but their relative importance for demands over the next 10-40 years is unclear. The power sector would benefit from a better understanding of the need to characterize these uncertainties for resource adequacy and investment planning. In this study, we quantify when projected United States (U.S.) electricity demands start to meaningfully diverge in response to a range of climate, energy policy, and socioeconomic drivers. Here we use a wide yet plausible range of 21st century scenarios for the U.S. The projections span two population/economic growth scenarios (Shared Socioeconomic Pathways 3 and 5) and two climate/energy policy scenarios, one including climate mitigation policies and one without (Representative Concentration Pathways 4.5 and 8.5). Each climate/energy policy scenario has two warming levels to reflect a range of climate model uncertainty. We show that the socioeconomic scenario matters almost immediately – within the next 10 years, the climate/policy scenario matters within 25-30 years, and the climate model uncertainty matters only after 50+ years. This work can inform the power sector working to integrate climate change uncertainties into their decision-making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Turn-key constrained parameter space exploration for particle accelerators using Bayesian active learning

Abstract Particle accelerators are invaluable discovery engines in the chemical, biological and physical sciences. Characterization of the accelerated beam response to accelerator input parameters is often the first step when conducting accelerator-based experiments. Currently used techniques for characterization, such as grid-like parameter sampling scans, become impractical when extended to higher dimensional input spaces, when complicated measurement constraints are present, or prior information known about the beam response is scarce. Here in this work, we describe an adaptation of the popular Bayesian optimization algorithm, which enables a turn-key exploration of input parameter spaces. Our algorithm replaces the need for parameter scans while minimizing prior information needed about the measurement’s behavior and associated measurement constraints. We experimentally demonstrate that our algorithm autonomously conducts an adaptive, multi-parameter exploration of input parameter space, potentially orders of magnitude faster than conventional grid-like parameter scans, while making highly constrained, single-shot beam phase-space measurements and accounts for costs associated with changing input parameters. In addition to applications in accelerator-based scientific experiments, this algorithm addresses challenges shared by many scientific disciplines, and is thus applicable to autonomously conducting experiments over a broad range of research topics.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

EXCESS workshop: Descriptions of rising low-energy spectra

Many low-threshold experiments observe sharply rising event rates of yet unknown origins below a few hundred eV, and larger than expected from known backgrounds. Due to the significant impact of this excess on the dark matter or neutrino sensitivity of these experiments, a collective effort has been started to share the knowledge about the individual observations. For this, the EXCESS Workshop was initiated. In its first iteration in June 2021, ten rare event search collaborations contributed to this initiative via talks and discussions. The contributing collaborations were CONNIE, CRESST, DAMIC, EDELWEISS, MINER, NEWS-G, NUCLEUS, RICOCHET, SENSEI and SuperCDMS. They presented data about their observed energy spectra and known backgrounds together with details about the respective measurements. In this paper, we summarize the presented information and give a comprehensive overview of the similarities and differences between the distinct measurements. The provided data is furthermore publicly available on the workshop's data repository together with a plotting tool for visualization.

Adari, Prakruth↗

NASA NTRS1993

ARIES: Acquisition of Requirements and Incremental Evolution of Specifications

This paper describes a requirements/specification environment specifically designed for large-scale software systems. This environment is called ARIES (Acquisition of Requirements and Incremental Evolution of Specifications). ARIES provides assistance to requirements analysts for developing operational specifications of systems. This development begins with the acquisition of informal system requirements. The requirements are then formalized and gradually elaborated (transformed) into formal and complete specifications. ARIES provides guidance to the user in validating formal requirements by translating them into natural language representations and graphical diagrams. ARIES also provides ways of analyzing the specification to ensure that it is correct, e.g., testing the specification against a running simulation of the system to be built. Another important ARIES feature, especially when developing large systems, is the sharing and reuse of requirements knowledge. This leads to much less duplication of effort. ARIES combines all of its features in a single environment that makes the process of capturing a formal specification quicker and easier.

Roberts, Nancy A.↗

NASA NTRS2009

Laura Users Manual: 5.1-41601

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem-dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multiphysics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the FUN3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

Mazaheri, Alireza↗

NASA NTRS2009

LAURA Users Manual: 5.2-43231

Mazaheri, Alireza↗

NASA NTRS2013

LAURA Users Manual: 5.5-64987

This users manual provides in-depth information concerning installation and execution of LAURA, version 5. LAURA is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 LAURA code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintain ability by eliminating the requirement for problem dependent recompilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, LAURA now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

Mazaheri, Alireza↗

NASA NTRS2017

Comparison of Two Bioinformatics Tools Used to Characterize the Microbial Diversity and Predictive Functional Attributes of Microbial Mats from Lake Obersee, Antarctica

In this study, using NextGen sequencing of the collective 16S rRNA genes obtained from two sets of samples collected from Lake Obersee, Antarctica, we compared and contrasted two bioinformatics tools, PICRUSt and Tax4Fun. We then developed an R script to assess the taxonomic and predictive functional profiles of the microbial communities within the samples. Taxa such as Pseudoxanthomonas, Planctomycetaceae, Cyanobacteria Subsection III, Nitrosomonadaceae, Leptothrix, and Rhodobacter were exclusively identified by Tax4Fun that uses SILVA database; whereas PICRUSt that uses Greengenes database uniquely identified Pirellulaceae, Gemmatimonadetes A1-B1, Pseudanabaena, Salinibacterium and Sinibacteraceae. Predictive functional profiling of the microbial communities using Tax4Fun and PICRUSt separately revealed common metabolic capabilities, while also showing specific functional IDs not shared between the two approaches. Combining these functional predictions using a customized R script revealed a more inclusive metabolic profile, such as hydrolases, oxidoreductases, transferases; enzymes involved in carbohydrate and amino acid metabolisms; and membrane transport proteins known for nutrient uptake from the surrounding environment. Our results present the first molecular-phylogenetic characterization and predictive functional profiles of the microbial mat communities in Lake Obersee, while demonstrating the efficacy of combining both the taxonomic assignment information and functional IDs using the R script created in this study for a more streamlined evaluation of predictive functional profiles of microbial communities.

Hyunmin Koo↗