ISS R&D 2022: Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery
Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery
Genelab↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Open Science for Life in Space: Data Sharing and Tools for Knowledge Discovery
Molecular-omics, physiological-phenotypic-behavioral, and environmental-radiation telemetry data from spaceflight biological and health studies are increasingly being made findable, accessible, interoperable, and reusable for the scientific public. These data, as well as space science-relevant biospecimens, are available through NASA’s Open Science Data Repository (OSDR), which is the new umbrella grouping of NASA GeneLab, the Ames Life Sciences Data Archive (ALSDA), and the NASA Biological Institutional Scientific Collection (NBISC). The quality of data is underpinned by datasets having rich metadata (determined through Analysis Working Group members), processing pipelines to enable data reuse standards, and ontologies specifying terminology semantics (e.g., the Radiation Biology Ontology).
space biology↗
Open Science for Life in Space
Understanding how biology changes in response spaceflight and how these changes affect crew and craft is important to the design of safe, robust and effective space missions. Advances in analytical technologies allow large volumes of new data to be generated from space biological experiments, and a growing library of legacy data can be re-analyzed in the context of a greater understanding of biological systems. This enables powerful insights into how biology changes during spaceflight. However, for this to be fully realized additional tools, programs, and communities must be developed. Now a developing suite of interconnected open science resources (GeneLab, the Ames Life Sciences Data Archive, the NASA Biological Institutional Science Collection, the Biospecimen Sharing Program) can be leveraged by dedicated Analysis Working Groups to accelerate the pace of discovery in the space biological sciences.
Open Science↗
Experimental Data on Open Circuit Voltage Characterization for Li-Ion Batteries
In this article, we present the datasets collected from nine different Li-ion batteries. These datasets contain voltage, current and time measurements during a full charge-discharge cycle of a battery at very low current (that is nearly at �/30 rate). Such low current rate data is suitable for open circuit voltage characterization. The collection of this data was done through the use of an Arbin battery cycler and a thermal chamber was used to control the test temperature. Data were collected over a wide range of temperatures from −25∘C to 50∘C.
Battery management system↗
Unlocking the Secrets of Space Biology: From the Twin Study to Groundbreaking Open Science Discoveries
In this interdisciplinary lecture, we will delve into the fascinating world of Space Biology and the realm of Open Science at NASA. Join us as we explore the profound insights gained from the groundbreaking twin study, which was published several years ago and continues to shape our understanding of spaceflight's impact on human health. We will highlight the study's key findings and contextualize them alongside more recent research endeavors, including the remarkable Inspiration 4 mission and several comprehensive meta-analysis publications enabled by the NASA GeneLab Omics database and the Ames Life Science Data Archive for physiological and phenotypic data.
Omics↗
Usability Evaluation of NASA TOPS Open Science 101
This report presents a usability evaluation of NASA’s Open Science 101 (OS101) interface. It offers design recommendations for improving the user experience (UX) and user interface (UI) of the initial self-paced OS101 release. The author initially conducted an independent heuristic evaluation, followed by an analysis of written user feedback to corroborate findings. Overall, the usability evaluation found that the OS101 interface offers a linear and interactive UX, with areas for improvement across five major, three minor, and two cosmetic aspects of usability.
Human-Computer Interaction↗
Detecting Unclassified Electromagnetic Signals for Secure Wireless Communication Using Open Set Recognition
We developed multiple machine learning methods for the detection and classification of new wireless communication waveforms, which is critical for targeted attacks in wireless networks and electronic warfare. Our machine learning models are capable of dynamically detecting security threats in near real time through our advanced open set recognition (OSR) approach. This model has demonstrated significant improvements in the detection of unknown waveforms, thereby enhancing the security and reliability of mission critical communications. Our approach to detecting uncertain security threats is novel; we advanced OSR techniques by incorporating domain knowledge of wireless signals. Specifically, we combined time and frequency domain model features to enhance the model’s performance. Utilizing an OSR approach eliminates the need for training data to be distributed similarly to the deployment environment and removes the requirement for the training set to contains all possible threat classes. This is crucial because it is often infeasible to determine and characterize all potential security threats in advance. Our model were trained on simulated data, generated in partnership with the University at Albany, State of New York. The data set contained a diverse array of wireless signals, including those with additive white Gaussian noise and multipath signals, with and without line of sight. This comprehensive training set allowed us to optimize our models to detect unknown waveforms under various challenging scenarios, such as low signal-to-noise ratios. By training on various waveforms, varying signal-to-noise ratio, and different sample sizes under normal conditions, our models were fine tuned to perform effectively in challenging environments.
99 - GENERAL AND MISCELLANEOUS↗
Lessons Learned from Open-Source Software Training Toward Expanding the Fusion Workforce
Within the United States (U.S.), the Fusion Innovation Research Engine (FIRE) Collaboratives seek to accelerate fusion technology development through wide-ranging community-driven research activities that bring together industry, laboratories, research institutes, and academia. Increasing the maturity of key components and systems for future fusion power plants (FPPs) toward commercialization, will, by necessity, increase the need for knowledgeable engineers, designers, and researchers in industry capable of integrating and further improving these technologies within industry FPP concepts. Further, various modeling and simulation packages support these programs and are under-development within them to drive design iteration and the development of FPP digital twins. To derive the greatest benefit from model output and capabilities, training these same specialists will be vital. Thus, the development of effective and accessible software onboarding and professional development opportunities focused on fusion will be key to keeping the pace of growth high in the coming decade and beyond. A similar need exists within the advanced fission reactor community, driven by an ever-growing need for carbon-free baseload power for industrial and data center applications. Within the U.S. and around the world, several open-source packages and frameworks exist to support this endeavor, and two we will highlight here are the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and OpenMC. These packages, notably, are also being utilized in the FIRE Collaboratives program. In this presentation, we will highlight the lessons learned from over 30 years of combined software development and training experience, focused on developing strong technical software foundations within the nuclear workforce, from students to professional engineers & scientists. We will connect this experience to present and emerging needs in the fusion energy community, and, finally, will outline possible paths forward to develop a large, robust, global fusion workforce.
70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Open Set Recognition for Unknown Waveform Classification
This presentation applies open set recognition to classify unknown waveforms, enabling systems to not only identify known types but also reliably detect when waveforms fall outside the training distribution. This approach enhances robustness by avoiding forced misclassification of novel or anomalous signals.
99 - GENERAL AND MISCELLANEOUS↗
Redox‐Active Frustrated Lewis Pair‐Mediated B—H Bond Activation: From Proton Transfer to THF Ring Opening
The CAAC-stabilized dithiolene (L 0 ) zwitterion (1), an unusual redox-active intramolecular frustrated Lewis pair (FLP), activates the B─H bond of boranes via hydride-coupled reverse electron transfer processes. The reactions of 1 with catecholborane in THF give a zwitterionic bis(dithiolene)-based spiroborate ( 2 ), in which one sulphur atom (at the C2 carbon) bonds to the (CH 2 ) 4 OB(O) 2 C 6 H 4 chain due to the catecholborane (CatBH)/S thiourea Lewis pair-mediated THF ring opening. In addition to 2 , [CAAC(H)] + [(Cat) 2 B] − , ( 3 ), CAAC(H) 2 , ( 4 ), and [CAAC(H) 3 ] + [(Cat) 2 B] − , ( 5 ), are also isolated from these reactions. In addition to synthetic, structural, and spectroscopic data, a plausible reaction mechanism is proposed. This finding provides compelling experimental evidence of FLP-mediated B─H activation via net proton transfer.
carbenes↗
Open‐Air Combustion Synthesis with Rapid Plasma Processing of Large‐Area Transparent Conducting Oxides
A vacuum-free, high-throughput synthesis of indium tin oxide (ITO) via Combustion Oxidation with Rapid Plasma Processing (CORP) utilizes a solution-based exothermic combustion reaction to generate the oxide with tunable control of either amorphous or crystalline phases. A subsequent open-air, forming gas plasma treatment is used to introduce oxygen vacancies and promote crystallization. Here, the evolution of the oxide structure is elucidated by extended X-ray absorption spectroscopy fine structure analysis. Using CORP, fabrication of 300 cm 2 of ITO possessing a champion sheet resistance of 38 Ω sq. −1 , visible transmission of 89%, conductivity stability for over 250 days, roughness < 2nm, and Haacke figure of merit (%T 550nm 10 /R s ) of 0.012 Ω −1 is achieved. Cost modeling of CORP demonstrates up to a 67% reduction in price for TCOs using fully continuous, in-line unit operations compared with vacuum sputtering. The work shows a path toward a low-cost, vacuum-free manufacturing method for TCOs at commercial scales.
42 ENGINEERING↗
Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation
Fragment-based quantum chemistry offers a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations, by partitioning a large calculation into smaller subsystems then considering the many-body interactions between them. Variants of this approach have been used to parameterize classical force fields and machine learning potentials, applications that benefit from interoperability between quantum chemistry codes. However, there is a dearth of software that provides interoperability yet is purpose-built to handle the combinatorial complexity of fragment-based calculations. To fill this void we introduce “Fragme∩t”, an open-source software application that provides a tool for community validation of fragment-based methods, a platform for developing new approximations, and a framework for analyzing many-body interactions. Fragme∩t includes algorithms for automatic fragment generation and structure modification, and for distance- and energy-based screening of the requisite subsystems. Checkpointing, database management, and parallelization are handled internally and results are archived in a portable database. Interfaces to various quantum chemistry engines are easy to write and exist already for Q-Chem, PySCF, xTB, Orca, CP2K, MRCC, Psi4, NWChem, GAMESS, and MOPAC. Applications reported here demonstrate parallel efficiencies around 96% on more than 1000 processors but also showcase that the code can handle large-scale protein fragmentation using only workstation hardware, all with a codebase that is designed to be usable by non-experts. Fragme∩t conforms to modern software engineering best practices and is built upon well established technologies including Python, SQLite, and Ray. The source code is available under the Apache 2.0 license.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Real-time dynamics of the Schwinger model as an open quantum system with Neural Density Operators
Ab-initio simulations of multiple heavy quarks propagating in a Quark-Gluon Plasma are computationally difficult to perform due to the large dimension of the space of density matrices. This work develops machine learning algorithms to overcome this difficulty by approximating exact quantum states with neural network parametrisations, specifically Neural Density Operators. As a proof of principle demonstration in a QCD-like theory, the approach is applied to solve the Lindblad master equation in the 1 + 1d lattice Schwinger Model as an open quantum system. Neural Density Operators enable the study of in-medium dynamics on large lattice volumes, where multiple-string interactions and their effects on string-breaking and recombination phenomena can be studied. Thermal properties of the system at equilibrium can also be probed with these methods by variationally constructing the steady state of the Lindblad master equation. Scaling of this approach with system size is studied, and numerical demonstrations on up to 32 spatial lattice sites and with up to 3 interacting strings are performed.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Effective interactions of the open bosonic string via field theory
Abstract We describe a method to extract an effective Lagrangian description for open bosonic strings, at zero transcendentality. The method relies on a particular formulation of its scattering amplitudes derived from color-kinematics duality. More precisely, starting from a (DF) 2 + YM quantum field theory, we integrate out all the massive degrees of freedom to generate an expansion in the inverse string tensionα′. We explicitly compute the Lagrangian terms through$$ \mathcal{O} $$ O (α′ 4 ), and target the sector of operators proportional toF 4 to all orders inα′.
Physics↗
Corners and islands in the S-matrix bootstrap of the open superstring
We bootstrap the Veneziano superstring amplitude in 10 dimensions from the bottom-up. Starting with the most general maximally supersymmetric Yang-Mills EFT, we input information about the lowest-lying massive states, which we assume contribute via tree-level exchanges to the 4-point amplitude. We show the following: (1) if there is only a single state at the lowest mass, it must be a scalar. (2) Assuming a string-inspired gap between the mass of this scalar and any other massive states, the allowed region of Wilson coefficients has a new sharp corner where the Veneziano amplitude is located. (3) Upon fixing the next massive state to be a vector, the EFT bounds have a one-parameter family of corners; these would correspond to models with linear Regge trajectories of varying slopes, one of which is the open superstring. (4) When the ratio between the massive scalar coupling and the tr F 4 coefficient is fixed to its string value, the spin and mass of the second massive state is determined by the bootstrap and the Veneziano amplitude is isolated on a small island in parameter space. Finally, we compare with other recent bootstraps approaches, both the pion model and imposing Regge-inspired maximal spin constraints.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Dissipation in open holography
We exploit the holographic realization of a conformal theory coupled to an external bath realized via a double trace deformation and its gravity dual in terms of transparent boundary conditions in order to map out some basic dissipative properties of this simple open holographic system. In particular, we determine the energy transmission coefficient across the boundary, discover a novel duality relating weak and strong coupling to the external bath, and quantify the dissipation in the system by working out the quasi normal modes.
AdS-CFT correspondence↗
Open-cycle thermochemical energy storage for building space heating: Practical system configurations and effective energy density
Salt-hydrate thermochemical materials (TCM) are promising candidates for energy storage systems for building space heating due to their high theoretical energy density and the need for low regeneration temperature. However, water vapor is required to drive the hydration process of the TCM reactor, which poses a challenge during winter when water vapor is typically scarce. Using indoor air directly lowers the building's humidity to an unconformable level in practice, while the cold outdoor air contains limited moisture. Here we consider different integration strategies for open-cycle TCM reactors in buildings and develop a model to simulate their thermal performance across diverse buildings and climates, specifically for building space heating. The potential energy densities and the levelized cost of storage of the TCM reactor are evaluated in practical scenarios to demonstrate the load-shifting potential of TCM systems for heating applications. We use a strontium chloride (SrCl 2 )-based composite as the baseline and explore the impact of various reactor and material changes to the energy density and levelized cost of storage.
25 ENERGY STORAGE↗
An integrated modeling framework with open architecture for phase field simulation of multi-component alloys
An integrated modeling framework (PanPhaseField) has been developed, which enables a direct and fast coupling between CALPHAD calculations and large-scale phase field simulations for multi-component alloys. Further, it adopts an open architecture allowing for integration of user-defined phase field models in a plug-and-play manner by taking full advantage of the user-friendly graphical interface of Pandat software. The developed modeling platform becomes an enabling tool that can be used to simulate the evolution of spatially varying microstructures of industrial complex alloys for various engineering applications.
36 MATERIALS SCIENCE↗