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INTERSECT Architecture Specification: System-of-systems Architecture (Version 0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected ScienceEcosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The architecture project is divided into three focus areas: design patterns; SoS architecture; and microservices architecture. The design patterns area focuses on describing science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions interms of control, work and data flow. The SoS architecture area focuses on an open architecture specification for the federated ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. The microservices architecture describes blueprints for loosely coupled microservices, standardized interfaces, and multi-programming language support. This document is the SoS Architecture specification only, and captures the system of systems architecture design for the INTERSECT Initiative and its components. It is intended to provide a deep analysis and specification of how the INTERSECT platform will be designed, and to link the scientific needs identified across disciplines with the technical needs involved in the support, development, and evolution of a science ecosystem. PLEASE NOTE: This is a working document and reflects current discussions and design activity among the authors. There may be inconsistencies within the document as different parts evolve at a different pace. We invite comments and thoughts from the public on this and following working drafts. The first finished version of this document is scheduled for release in September 2023.

97 MATHEMATICS AND COMPUTING↗

Environmental Extremes: Building a New Research Partnership between the University of Nevada Reno and the Pacific Northwest National Laboratory (Final Report)

This project focused on strengthening research partnership and collaboration between the University of Nevada, Reno (UNR) and the Pacific Northwest National laboratory (PNNL) in two focused areas: wildfires and hydrology in the context of environmental extremes. The goal was to overcome barriers and bring UNR university researchers, students, and postdocs up to speed and entrained into DOE/SC/BER /Earth and Environmental System Science Division’s (EESSD) environmental research enterprise. UNR continues to work with the Earth and Biological Sciences Directorate (EBSD) at PNNL to create a broad new collaborative research program connecting scientists and research faculty at the two institutions. This research partnership has been designed to increase the capabilities and velocities of both institutions by developing long-term relationships between researchers from each institution, exposing university researchers to the deep capabilities in the DOE National Laboratories and user facilities, and establishing a pipeline of skilled and experienced graduate students and postdoctoral researchers ready to work alongside DOE scientists to take on grand challenge science problems. These collaborations are intended to ultimately benefit the public by advancing scientific discovery, unleashing the scientific potentials through collaboration and connection, enriching the technical and scientific competitiveness of our nation, and enabling the development of a skilled workforce to tackle the critical scientific challenges that face our nation’s security, infrastructure, and prosperity.

54 ENVIRONMENTAL SCIENCES↗

The Gossamer Initiative

The Gossamer Spacecraft Initiative is a new NASA program to begin long-range development of enabling technologies for very large, ultra-lightweight structures and apertures. Large apertures include optical, infrared and submillimeter telescopes, "photon buckets" for optical communications and "non-coherent" imaging, solar concentrators, and radio frequency antennas. Developments in the very large ultra-light structures will be forces on one of their most challenging applications-solar sails. The sail structures will include both 3-axis stabilizing and spinning. Gossamer spacecraft technology will eventually allow NASA to undertake bold new missions of discovery, such as searching for the signs of life on planets orbiting nearby stars and sailing through space on beams of light of places beyond our solar system.

Chmielewski, Artur B.↗

Backstop: Shuttle Will Fly with Outstanding Waivers; New Oversight Eases Conflicts on Safety

he space shuttle Discovery is carrying some 300 waivers to technical specifications as it enters the home stretch of its planned return to flight next month. There were about 6,000 waivers in place when Columbia crashed. Shuttle managers say they are working to reduce the number of waivers remaining by fixing the problems they highlight, a change prompted by the Columbia Accident Investigation Board. In the wake of the accident, NASA has heeded the CAWS recommendation that waivers be the responsibility of an "independent technical authority" (ITA), rather than the shuttle program itself. To carry out the recommendation of the CAIB-which found an inherent conflict of interest in having the same managers make decisions about cost, schedule and safety-then-Administrator Sean O'Keefe designated the agency's chief engineer as the formal ITA. He is responsible for setting, maintaining and granting waivers across the agency. In mid-January, Fred Gregory, then O'Keefe's deputy and now his acting replacement, launched the ITA within NASA under Chief Engineer Rex Geveden, the former program manager on the Gravity Probe B experiment.

Morring, Frank, Jr.↗

Cross-Cultural Competencies for the NASA International Internship Project

One of the principles that NASA upholds is to cooperate with other nations to advance science, exploration, and discovery for all. Effective cooperation across cultures, however, requires a certain level of skill. A construct called cross-cultural competency (CCC) emphasizes that individuals are capable of acquiring skills that facilitate positive and cooperative interaction with people of another culture. While some aspects of CCC stem from stable individual traits such as personality (i.e., extraversion, tolerance for ambiguity), most components can be learned and strengthened over time (i.e., empathy, mindfulness, trust). Because CCC is such a vital part of international cooperation, this summer we will design a training program to cultivate these skills between student interns, their mentors, and the Ames community as a whole. First, we will research what specific competencies are valuable for anyone to have when working in an international setting. We will then design a series of activities, events, workshops, and discussions that target and strengthen those skills. Finally, we will use both qualitative and quantitative evaluation methods to measure the success of the pilot program. This summer, the current international student interns will serve as our trial population for the program, while our goal is to launch the full program in Fall 2017. Overall, we hope to contribute to NASAs mission of optimizing international collaboration for everyone involved.

international↗

Flavor as an Incomplete Structure: Conceptual Questions and the Role of DUNE

Flavor remains one of the most successful yet least understood structures of the Standard Model. The discovery of the Higgs boson completed the electroweak account of mass generation, but did not explain the origin of fermion families, mass hierarchies, or mixing patterns. In this sense, flavor can be regarded as an empirically successful but conceptually incomplete structure. Neutrinos occupy a particularly sensitive place within this problem: their masses are tiny, their mixing is large, and their mass-generation mechanism may differ from that of charged fermions. In this article, we discuss flavor as an open conceptual problem and argue that DUNE, as a phased program spanning precision oscillation measurements and sensitivity to BSM and dark-sector phenomena, provides a powerful framework for testing the self-consistency and possible limits of the present three-flavor description. In particular, the complementarity between the long-baseline program and the Phase I near-detector complex, together with the DUNE-PRISM strategy for controlling interaction-model systematics and enabling data-driven near-to-far predictions, makes DUNE especially well-suited to search for small, correlated departures from the minimal flavor framework.

Montanari, Claudio S. [Fermilab; INFN, Pavia] (ORC↗

Science Personality and STEM Ambassador

Dr. Amy Elliott has had unique opportunities to serve as a STEM role model through her various media production projects. Her debut on screen was as a competitor on an engineering reality show competition called “The Big Brain Theory,” aired by The Discovery Channel. Following this competition, Dr. Elliott served as an on-camera host for RoboNation’s water-based, annual collegiate competitions and for The Science Channel’s viral video show, “Outrageous Acts of Science.” Dr. Elliott also serves as volunteer pit-crew for Green Envy Racing, a woman-lead race team that seeks to set and speed records with electric motorcycles. Because of Dr. Elliott’s public exposure, she was selected as an IF/THEN Ambassador by the American Associate for the Advancement of Science (AAAS), a program that seeks to highlight women as STEM role models. Dr. Elliott’s work in 3D printing is frequently a source of inspiration for her.

Elliott, Amy↗

The 2019 Nonlinear Mechanics and Dynamics Research Institute

The 2019 Nonlinear Mechanics and Dynamics (NOMAD) Research Institute was successfully held from June 17 to August 1, 2019. NOMAD brings together participants with diverse technical backgrounds to work in small teams to cultivate new ideas and approaches in engineering mechanics and dynamics research. NOMAD provides an opportunity for researchers especially early career researchers - to develop lasting collaborations that go beyond what can be established from the limited interactions at their institutions or at annual conferences. A total of 20 students came to Albuquerque, New Mexico to participate in the seven-week long program held at the Mechanical Engineering building on the University of New Mexico campus. The students collaborated on one of seven research projects that were developed by various mentors from Sandia National Laboratories, the University of New Mexico, and academic institutions. In addition to the research activities, the students attended weekly technical seminars, various tours, and socialized at various off-hour events including an Albuquerque Isotopes baseball game. At the end of the summer, the students gave a final technical presentation on their research findings. Many of the research discoveries made at NOMAD are published as proceedings at technical conferences and have direct alignment with the critical mission work performed at Sandia.

42 ENGINEERING↗

P-Mart: Interactive Analysis of Ion Abundance Global Proteomics Data

The use of mass-spectrometry-based techniques for global protein profiling of biomedical or environmental experiments has become a major focus in research centered on biomarker discovery; however, one of the most important issues recently highlighted in the new era of omics data generation is the ability to perform analyses in a robust and reproducible manner. This has been hypothesized to be one of the issues hindering the ability of clinical proteomics to successfully identify clinical diagnostic and prognostic biomarkers of disease. P-Mart (https://pmart.labworks.org) is an interactive web-based software environment that enables domain scientists to perform quality-control processing, statistics, and exploration of large-complex proteomics data sets without requiring statistical programming. P-Mart is developed in a manner that allows researchers to perform analyses via a series of modules, explore the results using interactive visualization, and finalize the analyses with a collection of output files documenting all stages of the analysis and a report to allow reproduction of the analysis.

59 BASIC BIOLOGICAL SCIENCES↗

Recovery of Space Shuttle Columbia and Return to Flight of Space Shuttle Discovery

NASA has come a long way in our journey to reduce the risks of operating the Spse Shuttle system. The External Tank bipod Thermal Protection System has been redesigned to eliminate the proximate cause of the Columbia accident. In all areas, we have applied the collective knowledge and capabilities of our Nation to comply with the Columbia Accident Investigation Board recommendations and to raise the bar beyond that. We have taken prudent technical action on potential threats to review and verify the material condition of all critical areas where failure could result in catastrophic loss of the crew and vehicle. We are satisfied that critical systems and elements should operate as intended-safely and reliably. While we will never eliminate all the risks from our human space flight programs, we have eliminated those we can and reduced, controlled, and/or mitigated others. The remaining identified risks will be evaluated for acceptance. Our risk reduction approach has its roots in the system safety engineering hierarchy for hazard abatement long employed in aerospace systems engineering. The components of the hierarchy are, in order of precedence, to: design/redesign; eliminate the hazard/risk; reduce the hazard/risk; and control the hazard/risk and/or mitigate the consequence of the remaining hazard/risk through warning devices, special procedures/capabilities, and/or training. This proven approach to risk reduction has been applied to potential hazards and risks in all critical areas of the Space Shuttle and has guided us through the technical challenges, failures, and successes present in return to flight endeavors. This approach provides the structured deliberation process required to verify and form the foundation for accepting any residual risk across the entire Space Shuttle Program by NASA leadership.

Rudolphi, Michael U.↗

Stirling to Flight Initiative

NASA has a consistent need for radioisotope power systems (RPS) to enable robotic scientific missions for planetary exploration that has been present for over four decades and will continue into the foreseeable future, as documented in the most recent Planetary Science Decadal Study Report. As RPS have evolved throughout the years, there has also grown a desire for more efficient power systems, allowing NASA to serve as good stewards of the limited plutonium-238 (238Pu), while also supporting the ever-present need to minimize mass and potential impacts to the desired science measurements. In fact, the recent Nuclear Power Assessment Study (NPAS) released in April 2015 resulted in several key conclusion regarding RPS, including affirmation that RPS will be necessary well into the 2030s (at least) and that 238Pu is indeed a precious resource requiring efficient utilization and preservation. Stirling Radioisotope Generators (SRGs) combine a Stirling cycle engine powered by a radioisotope heater unit into a single generator system. Stirling engine technology has been under development at NASA Glenn Research Center (GRC) in partnership with the Department of Energy (DOE) since the 1970's. The most recent design, the 238Pu-fueled Advanced Stirling Radioisotope Generator (ASRG), was offered as part of the NASA Discovery 2010 Announcement of Opportunity (AO). The Step-2 selections for this AO included two ASRG-enabled concepts, the Titan Mare Explorer (TiME) and the Comet Hopper (CHopper), although the only non-nuclear concept, InSight, was ultimately chosen. The DOE's ASRG contract was terminated in 2013. Given that SRGs utilize significantly less 238Pu than traditional Radioisotope Thermoelectric Generators (RTGs) - approximately one quarter of the nuclear fuel, to produce similar electrical power output - they provide a technology worthy of consideration for meeting the aforementioned NASA objectives. NASA's RPS Program Office has recently investigated a new Stirling to Flight (S2F) initiative with the objective of developing a 100-500 We Stirling generator system. Additionally, a different approach is being devised for this initiative to avoid pitfalls of the past, and apply lessons learned from the recent ASRG experience. Two key aspects of this initiative are a Stirling System Technology Maturation Effort, and a Surrogate Mission Team (SMT) intended to provide clear mission pull and requirements context. The S2F project seeks to lead directly into a DOE flight system development of a new SRG. This paper will detail the proposed S2F initiative, and provide specifics on the key efforts designed to pave a forward path for bringing Stirling technology to flight.

Robotics↗

MtrA modulates Mycobacterium tuberculosis cell division in host microenvironments to mediate intrinsic resistance and drug tolerance

The success of Mycobacterium tuberculosis (Mtb) is largely attributed to its ability to physiologically adapt and withstand diverse localized stresses within host microenvironments. Here, we present a data-driven model (EGRIN 2.0) that captures the dynamic interplay of environmental cues and genome-encoded regulatory programs in Mtb. Analysis of EGRIN 2.0 shows how modulation of the MtrAB two-component signaling system tunes Mtb growth in response to related host microenvironmental cues. Disruption of MtrAB by tunable CRISPR interference confirms that the signaling system regulates multiple peptidoglycan hydrolases, among other targets, that are important for cell division. Further, MtrA decreases the effectiveness of antibiotics by mechanisms of both intrinsic resistance and drug tolerance. Together, the model-enabled dissection of complex MtrA regulation highlights its importance as a drug target and illustrates how EGRIN 2.0 facilitates discovery and mechanistic characterization of Mtb adaptation to specific host microenvironments within the host.

59 BASIC BIOLOGICAL SCIENCES↗

Peptide programming of supramolecular vinylidene fluoride ferroelectric phases

Ferroelectric structures have spontaneous macroscopic polarization that can be inverted using external electric fields and have potential applications including information storage, energy transduction, ultralow-power nanoelectronics and biomedical devices. These functions would benefit from nanoscale control of ferroelectric structure, the ability to switch polarization with lower applied fields (low coercive field) and biocompatibility. Soft ferroelectrics based on poly(vinylidene fluoride) (PVDF) have a thermodynamically unstable ferroelectric phase in the homopolymer, complex semi-crystalline structures, and high coercive fields. Here, in this work, we report on ferroelectric materials formed by water-soluble molecules containing only six VDF repeating units covalently conjugated to a tetrapeptide, with the propensity to assemble into the β-sheet structures that are ubiquitous in proteins. This led to the discovery of ribbon-shaped ferroelectric supramolecular assemblies that are thermodynamically stable with their long axes parallel to both the preferred hydrogen-bonding direction of β-sheets and the bistable polar axes of VDF hexamers. Relative to a commonly used ferroelectric copolymer, the biomolecular assemblies exhibit a coercive field that is two orders of magnitude lower, as the result of supramolecular dynamics, and a similar level of remnant polarization, despite having a peptide content of 49 wt%. Furthermore, the Curie temperature of the assemblies is about 40 °C higher than that of a copolymer containing a similar amount of VDF. This supramolecular system was created using a biologically inspired strategy that is attractive in terms of sustainability and that could lead to new functions for soft ferroelectrics.

36 MATERIALS SCIENCE↗

Serendipitous discovery connects grandfather and granddaughter at the Lab 60 years apart A third-generation employee learns about Los Alamos family history

The Lab’s enduring mission work means staff like Cameron Townsend are one of many family members who have careers at LANL. Cameron is her family’s third generation to work at the Lab, starting with her great grandparents, followed by her grandparents (skipping her parents), and now including her and her husband. She didn’t know about her family history at the Lab until she started working here three years ago when a typical day on the job became a serendipitous window into her family’s long history with the Lab. Cameron, who is an architect in EPC-ES: Environmental Stewardship and helps manage the Lab’s historic buildings program, was given a drawing from 1960 to aid in an assessment. The drafter’s name on the sketch: Ron Turner, her grandfather.

99 GENERAL AND MISCELLANEOUS↗

The Next Decade of Mars Exploration

Following a 20-year hiatus in missions to Mars, the planet has again become a focus of planetary research for space-faring nations. NASA and space agencies worldwide are returning to Mars with scientific research and public engagement sharing top priority. Collectively, the work to be performed within a decade will address much of the research associated with planetary evolution, past and present climates, and astrobiology. NASA's science goals are centered on the study of potential habitats - past and present environments that may have been suitable for the origin of life. These goals are approached through in situ measurements and through sample return. CNES has teamed with NASA to return samples, while also extending the research base by adding geophysical measurements via a network of landers. ASI has joined NASA and CNES by providing a drill to access the near sub-surface. ESA will fly an orbiter and, potentially, a lander to Mars with the goal of addressing mineralogy, geochemistry, geology, and biology. ISAS will study the planet's aeronomy using an orbiter. Many other nations are contributors to these programs of exploration. The desire for national participation, presence on the Martian surface and, most importantly, samples to analyze motivate all nations involved. So important is public engagement that NASA and CNES will launch a network of communication satellites to improve public participation and enhance scientific data return. Further, NASA is currently preparing a Mars airplane that will undoubtedly engage the public's imagination. Additional research investigations will be sought; particularly those able to utilize small spacecraft on and above the surface. A recently announced NASA/CNES series of MicroMissions offers a means of pursuing discoveries, scouting potential landing sites for sample return, and further broadening the scope of scientific research. The timing for these opportunities will be presented.

McCleese, D. J.↗

The Mars Reconnaissance Orbiter Mission: Continuing a Record of Exploration from Mars Orbit

The Mars Reconnaissance Orbiter (MRO) has been on station in its low altitude, sun-synchronous, primary science orbit since September 2006 performing both scientific and Mars programmatic support functions. The spacecraft is a very capable remote sensing science platform carrying six science payloads supporting seven investigations and a UHF telecommunications radio (Electra) for surface relay. Developed to support a mix of nadir mapping and targeted, highresolution surface observations, the spacecraft’s powerful telecommunications and command & data handling (C&DH) subsystems communicate an average of 16 hours a day with the Deep Space Network (DSN). To date, more than 300 TB of scientific data has been returned to Earth. All of the original science payloads are active with standard and new observing modes contributing to the advancement of Mars science through peer-reviewed paper publications and the timely dissemination of their data to the science community as a whole. Results from the science teams have revealed an amazing diversity of ancient aqueous environments and ongoing surface change is evident through gully formation, avalanches, and cratering. Extending the MRO-MGS climate record to a decade of Mars years is contributing to a better understanding of current atmospheric and polar processes. In addition to its fundamental scientific objectives, MRO is a critical element of NASA’s Mars Exploration Program (MEP) providing needed infrastructure support for landed and future missions. Using its Electra telecommunications payload, MRO provides landers and rovers critical event coverage during their entry, descent, and landing (EDL) phases and UHF relay support once they are on the Martian surface. MRO’s high-resolution imagers are used to scout potential landing sites and certify safe zones for landing. As MRO begins its Fourth Extended Mission, the spacecraft remains fully capable of carrying out an ambitious science observing plan and the programmatic tasks assigned to it. In addition to highlighting recent discoveries of the mission, this paper describes recent challenges the spacecraft engineers have faced in flight and the plans for extending spacecraft life well into the 2020’s.

Tamppari, Leslie K.↗

Normality of I-V Measurements Using ML

There is an increased interest in instrument-computing ecosystems (ICEs) that support science workflows empowered by AI-automated experiments and computations in diverse areas. In particular, electrochemistry ICEs are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell, as illustrated in Fig. 1. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. In particular, we developed Python wrappers for Application Programming Interfaces (APIs) of instrument commands and Pyro client-server modules that enable them to be executed from remote computers. The entire workflow is orchestrated by a Jupyter notebook running on a remote computer.

Al Najjar, Anees↗

Assessing the Biohazard Potential of Putative Martian Organisms for Exploration Class Human Space Missions

Exploration Class missions to Mars will require precautions against potential contamination by any native microorganisms that may be incidentally pathogenic to humans. While the results of NASA's Viking biology experiments of 1976 have been generally interpreted as inconclusive for surface organisms, the possibility of native surface life has never been ruled out and more recent studies suggest that the case for biological interpretation of the Viking Labeled Release data may now be stronger than it was when the experiments were originally conducted. It is possible that, prior to the first human landing on Mars, robotic craft and sample return missions will provide enough data to know with certainty whether or not future human landing sites harbor extant life forms. However, if native life is confirmed, it will be problematic to determine whether any of its species may present a medical risk to astronauts. Therefore, it will become necessary to assess empirically the risk that the planet contains pathogens based on terrestrial examples of pathogenicity and to take a reasonably cautious approach to bio-hazard protection. A survey of terrestrial pathogens was conducted with special emphasis on those pathogens whose evolution has not depended on the presence of animal hosts. The history of the development and implementation of Apollo anticontamination protocol and recent recommendations of the NRC Space Studies Board regarding Mars were reviewed. Organisms can emerge in nature in the absence of indigenous animal hosts and both infectious and non-infectious human pathogens are theoretically possible on Mars. The prospect of Martian surface life, together with the existence of a diversity of routes by which pathogenicity has emerged on Earth, suggests that the possibility of human pathogens on Mars, while low, is not zero. Since the discovery and study of Martian life can have long-term benefits for humanity, the risk that Martian life might include pathogens should not be an obstacle to human exploration. As a precaution, however, it is recommended that EVA suits be decontaminated when astronauts enter surface habitats when returning from field activity and that biosafety protocol approximating laboratory BSL 2 be developed for astronauts working in laboratories on the Martian surface. Quarantine of astronauts and Martian materials arriving on Earth should also be part of a human Mars mission and this and the surface biosafety program should be integral to human expeditions from the earliest stages of the mission planning.

Warmflash, David↗