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DOE OSTI2021

How AI Predicts the Untrained and Unseen

Focus Area: Model predictability improvements (Primary); Data optimization (secondary); Data complexity insights (secondary). The Scientific Challenge: If we believe that a future under extreme conditions will look very differently from today, we can likely agree that ML/AI models trained on past and present datasets will not be adequate to make reliable predictions into the future. This is true for water cycling, as well as biogeochemistry and other Earth system components and behaviors. Additionally, ML/AI models are inherently non-physical. Despite the flourishing success of ML/AI in many applications, such as computer vision, natural language process, and gaming, even the most sophisticated AI models don’t understand the very basic physical laws. Therefore, a natural question is: Can we trust ML/AI based predictions of Earth system behaviors that are fundamentally driven by physical laws? So, are physics models with meticulous process representation a better choice? Not exactly. Physical models, when firmly rooted in first principles, work great at predicting behaviors of systems with a well-defined set of boundary conditions and variables. However, as a complex system, the number of parameters and the degree of complexity and dynamics in processes, coupling, and scale dependent emergent behaviors make the Earth system behaviors very challenging to predict with physical models composed of deterministic laws. In addition, due to the lack of fundamental understandings, physical models often implement empirical correlations derived from observations with biases from locality of data generation. Because correlation is not necessarily causation or comply with first principles, scaling of model predictions beyond locality is often invalid. Beyond the limitation of models, physics or AI, our knowledge of the Earth system is limited by the lack of observational technologies and resources. Insufficient data density, dimensionality and diversity only offer a sliced (or projected) view of the Earth system, e.g. Plato’s Cave analogy, limiting our capability to better understand and represent fundamental processes in models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A scalable framework for quantifying field-level agricultural carbon outcomes

Agriculture contributes nearly a quarter of global greenhouse gas (GHG) emissions, which is motivating interest in adopting certain farming practices that have the potential to reduce GHG emissions or sequester carbon in soil. The related GHG emission (including N 2 O and CH 4 ) and changes in soil carbon stock are defined here as “agricultural carbon outcomes”. Accurate quantification of agricultural carbon outcomes is the basis for achieving emission reductions for agriculture, but existing approaches for measuring carbon outcomes (including direct measurements, emission factors, and process-based modeling) fall short of achieving the required accuracy and scalability necessary to support credible, verifiable, and cost-effective measurement and improvement of these carbon outcomes. Here we propose a foundational and scalable framework to quantify field-level carbon outcomes for farmland, which is based on the holistic carbon balance of the agroecosystem: Agroecosystem Carbon Outcomes = Environment (E) × Management (M) × Crop (C). Following a comprehensive review of the scientific challenges associated with existing approaches, as well as their tradeoffs between cost and accuracy, we propose that the most viable path for the quantification of field-level carbon outcomes in agricultural land is through an effective integration of various approaches (e.g. diverse observations, sensor/in-situ data, and modeling), defined as the “System-of-Systems” solution. Such a “System-of-Systems” solution should simultaneously comprise the following components: (1) scalable collection of ground truth data and cross-scale sensing of environment variables (E), management practices (M), and crop conditions (C) at the local field level; (2) advanced modeling with necessary processes to support the quantification of carbon outcomes; (3) systematic Model-Data Fusion (MDF), i.e. robust and efficient methods to integrate sensing data and models at each local farmland level; (4) high computation efficiency and artificial intelligence (AI) to scale to millions of individual fields with low cost; and (5) robust and multi-tier validation systems and infrastructures to ensure solution fidelity and true scalability, i.e. the ability of a solution to perform robustly with accepted accuracy on all targeted fields. In this regard, we provide here the detailed scientific rationale, current progress, and future research and development (R&D) priorities to achieve different components of the “System-of-Systems” solution, thus accomplishing the Environment×Management×Crop framework to quantify field-level agricultural carbon outcomes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1999

NASA Microgravity Combustion Science Program

Combustion has been a subject of increasingly vigorous scientific research for over a century, not surprising considering that combustion accounts for approximately 85% of the world's energy production and is a key element of many critical technologies used by contemporary society. Although combustion technology is vital to our standard of living, it also poses great challenges to maintaining a habitable environment. A major goal of combustion research is production of fundamental (foundational) knowledge that can be used in developing accurate simulations of complex combustion processes, replacing current "cut-and-try" approaches and allowing developers to improve the efficiency of combustion devices, to reduce the production of harmful emissions, and to reduce the incidence of accidental uncontrolled combustion. With full understanding of the physics and chemistry involved in a given combustion process, including details of the unit processes and their interactions, physically accurate models which can then be used for parametric exploration of new combustion domains via computer simulation can be developed, with possible resultant definition of radically different approaches to accomplishment of various combustion goals. Effects of gravitational forces on earth impede combustion studies more than they impede most other areas of science. The effects of buoyancy are so ubiquitous that we often do not appreciate the enormous negative impact that they have had on the rational development of combustion science. Microgravity offers potential for major gains in combustion science understanding in that it offers unique capability to establish the flow environment rather than having it dominated by uncontrollable (under normal gravity) buoyancy effects and, through this control, to extend the range of test conditions that can be studied. It cannot be emphasized too strongly that our program is dedicated to taking advantage of microgravity to untangle complications caused by gravity, allowing major strides in our understanding of combustion processes and in subsequent development of improved combustion devices leading to improved quality of life on Earth. Fire and/or explosion events aboard spacecraft could be devastating to international efforts to expand the human presence in space. Testing to date has shown that ignition and flame spread on fuel surfaces (e.g., paper, wire insulation) behave quite differently under partial gravity and microgravity conditions. In addition, fire signatures-i.e., heat release, smoke production, flame visibility, and radiation-are now known to be quite different in reduced gravity environments; this research has provided data to improve the effectiveness of fire prevention practices, smoke and fire detectors, and fire extinguishment systems. The more we can apply our scientific and technological understanding to potential fire behavior in microgravity and partial gravity, the more assurance can be given to those people whose lives depend on the environment aboard spacecraft or eventually on habitats on the Moon or Mars.

King, Merrill K.↗

DOE OSTI2016

Validation of a FAST Model of the SWAY Prototype Floating Wind Turbine

As part of a collaboration of the National Renewable Energy Laboratory (NREL) and SWAY AS, NREL installed scientific wind, wave, and motion measurement equipment on the spar-type 1/6.5th-scale prototype SWAY floating offshore wind system. The equipment enhanced SWAY's data collection and allowed SWAY to verify the concept and NREL to validate a FAST model of the SWAY design in an open-water condition. Nanyang Technological University (NTU), in collaboration with NREL, assisted with the validation. This final report gives an overview of the SWAY prototype and NREL and NTU's efforts to validate a model of the system. The report provides a summary of the different software tools used in the study, the modeling strategies, and the development of a FAST model of the SWAY prototype wind turbine, including justification of the modeling assumptions. Because of uncertainty in system parameters and modeling assumptions due to the complexity of the design, several system properties were tuned to better represent the system and improve the accuracy of the simulations. Calibration was performed using data from a static equilibrium test and free-decay tests.

17 WIND ENERGY↗

NASA NTRS1974

The Earth and Ocean Physics Applications Program (EOPAP). Ocean dynamics program

SEASAT-A is a research oriented program consisting of a spacecraft, precision ground tracking systems, and data processing and modelling capabilities that address both scientific and application programs problems in ocean surface dynamics for the EOPAP program. An array of active radar and passive microwave and infrared instruments allows for quantitative measurements of oceanic, atmospheric, and geodetic parameters under stormy wind and wave conditions, as well as over regions lying under a cloud cover.

Apel, J. R.↗

DOE OSTI2025

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2012

Missions to Near-Earth Asteroids: Implications for Exploration, Science, Resource Utilization, and Planetary Defense

Introduction: In 2009 the Augustine Commission identified near-Earth asteroids (NEAs) as high profile destinations for human exploration missions beyond the Earth-Moon system as part of the Flexible Path. More recently the U.S. presidential administration directed NASA to include NEAs as destinations for future human exploration with the goal of sending astronauts to a NEA in the mid to late 2020s. This directive became part of the official National Space Policy of the United States of America as of June 28, 2010. NEA Space-Based Survey and Robotic Precursor Missions: The most suitable targets for human missions are NEAs in Earth-like orbits with long synodic periods. However, these mission candidates are often not observable from Earth until the timeframe of their most favorable human mission opportunities, which does not provide an appropriate amount of time for mission development. A space-based survey telescope could more efficiently find these targets in a timely, affordable manner. Such a system is not only able to discover new objects, but also track and characterize objects of interest for human space flight consideration. Those objects with characteristic signatures representative of volatile-rich or metallic materials will be considered as top candidates for further investigation due to their potential for resource utilization and scientific discovery. Once suitable candidates have been identified, precursor spacecraft are required to perform basic reconnaissance of a few NEAs under consideration for the human-led mission. Robotic spacecraft will assess targets for potential hazards that may pose a risk to the deep space transportation vehicle, its deployable assets, and the crew. Additionally, the information obtained about the NEA's basic physical characteristics will be crucial for planning operational activities, designing in-depth scientific/engineering investigations, and identifying sites on the NEA for sample collection. Human Exploration Considerations: These missions would be the first human expeditions to interplanetary bodies beyond the Earth-Moon system and would prove useful for testing technologies required for human missions to Mars, Phobos and Deimos, and other Solar System destinations. Current analyses of operational concepts suggest that stay times of 15 to 30 days may be possible at a NEA with total mission duration limits of 180 days or less. Hence, these missions would undoubtedly provide a great deal of technical and engineering data on spacecraft operations for future human space exploration while simultaneously conducting detailed investigations of these primitive objects with instruments and equipment that exceed the mass and power capabilities delivered by robotic spacecraft. All of these activities will be vital for refinement of resource characterization/identification and development of extraction/utilization technologies to be used on airless bodies under low- or micro-gravity conditions. In addition, gaining enhanced understanding of a NEA s geotechnical properties and its gross internal structure will assist the development of hazard mitigation techniques for planetary defense. Conclusions: The scientific, resource utilization, and hazard mitigation benefits, along with the programmatic and operational benefits of a human venture beyond the Earth-Moon system, make a piloted sample return mission to a NEA using NASA s proposed human exploration systems a compelling endeavor.

Abell, P. A.↗

NASA NTRS1994

SIGMA: A Knowledge-Based Simulation Tool Applied to Ecosystem Modeling

The need for better technology to facilitate building, sharing and reusing models is generally recognized within the ecosystem modeling community. The Scientists' Intelligent Graphical Modelling Assistant (SIGMA) creates an environment for model building, sharing and reuse which provides an alternative to more conventional approaches which too often yield poorly documented, awkwardly structured model code. The SIGMA interface presents the user a list of model quantities which can be selected for computation. Equations to calculate the model quantities may be chosen from an existing library of ecosystem modeling equations, or built using a specialized equation editor. Inputs for dim equations may be supplied by data or by calculation from other equations. Each variable and equation is expressed using ecological terminology and scientific units, and is documented with explanatory descriptions and optional literature citations. Automatic scientific unit conversion is supported and only physically-consistent equations are accepted by the system. The system uses knowledge-based semantic conditions to decide which equations in its library make sense to apply in a given situation, and supplies these to the user for selection. "Me equations and variables are graphically represented as a flow diagram which provides a complete summary of the model. Forest-BGC, a stand-level model that simulates photosynthesis and evapo-transpiration for conifer canopies, was originally implemented in Fortran and subsequenty re-implemented using SIGMA. The SIGMA version reproduces daily results and also provides a knowledge base which greatly facilitates inspection, modification and extension of Forest-BGC.

Dungan, Jennifer L.↗

DOE OSTI2019

Aerosol-Cloud-Meteorology Interaction Airborne Field Investigations: Using Lessons Learned from the US West Coast in the Design of ACTIVATE off the US East Coast

We report on a multi-year set of airborne field campaigns (2005 – 2016) off the California coast to examine aerosols, clouds, and meteorology, and how lessons learned tie into the upcoming NASA Earth Venture Suborbital (EVS-3) campaign: Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE) (2019–2023). The largest uncertainty in estimating global anthropogenic radiative forcing is associated with the interactions of aerosol particles with clouds, which stems from the variability of cloud systems and the multiple feedbacks that affect and hamper efforts to ascribe changes in cloud properties to aerosol perturbations. While past campaigns have been limited in flight hours and the ability to fly in and around clouds, efforts sponsored by the Office of Naval Research have resulted in 113 single aircraft flights (> 500 flight hours) in a fixed region with warm marine boundary layer clouds. All flights used nearly the same payload of instruments on a Twin Otter to fly below, in, and above clouds, producing an unprecedented dataset. We provide here (i) an overview of statistics of aerosol, cloud, and meteorological conditions encountered in those campaigns and (ii) quantification of model-relevant metrics associated with aerosol-cloud interactions leveraging the high data volume and statistics. Based on lessons learned from those flights, we describe the pragmatic innovation in sampling strategy (dual aircraft approach with combined in situ and remote sensing) that will be used in ACTIVATE to generate a dataset that can advance scientific understanding and improve physical parameterizations for Earth system and weather forecasting models, and for assessing next-generation remote sensing retrieval algorithms.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Cognitive analysis of metabolomics data for systems biology

Cognitive computing is revolutionizing the way big data are processed and integrated, with artificial intelligence (AI) natural language processing (NLP) platforms helping researchers to efficiently search and digest the vast scientific literature. Most available platforms have been developed for biomedical researchers, but new NLP tools are emerging for biologists in other fields and an important example is metabolomics. NLP provides literature-based contextualization of metabolic features that decreases the time and expert-level subject knowledge required during the prioritization, identification and interpretation steps in the metabolomics data analysis pipeline. Here, we describe and demonstrate four workflows that combine metabolomics data with NLP-based literature searches of scientific databases to aid in the analysis of metabolomics data and their biological interpretation. Additionally, the four procedures can be used in isolation or consecutively, depending on the research questions. The first, used for initial metabolite annotation and prioritization, creates a list of metabolites that would be interesting for follow-up. The second workflow finds literature evidence of the activity of metabolites and metabolic pathways in governing the biological condition on a systems biology level. The third is used to identify candidate biomarkers, and the fourth looks for metabolic conditions or drug-repurposing targets that the two diseases have in common. The protocol can take 1–4 h or more to complete, depending on the processing time of the various software used.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Organizing Large Data Sets for Efficient Analyses on HPC Systems

Upcoming exascale applications could introduce significant data management challenges due to their large sizes, dynamic work distribution, and involvement of accelerators such as graphical processing units, GPUs. In this work, we explore the performance of reading and writing operations involving one such scientific application on two different supercomputers. Our tests showed that the Adaptable Input and Output System, ADIOS, was able to achieve speeds over 1TB/s, a significant fraction of the peak I/O performance on Summit. We also demonstrated the querying functionality in ADIOS could effectively support common selective data analysis operations, such as conditional histograms. In tests, this query mechanism was able to reduce the execution time by a factor of five. More importantly, ADIOS data management framework allows us to achieve these performance improvements with only a minimal amount of coding effort.

Gu, Junmin↗

NASA NTRS2003

Countermeasure Evaluation and Validation Project (CEVP) Database Requirement Documentation

The initial focus of the project by the JSC laboratories will be to develop, test and implement a standardized complement of integrated physiological test (Integrated Testing Regimen, ITR) that will examine both system and intersystem function, and will be used to validate and certify candidate countermeasures. The ITR will consist of medical requirements (MRs) and non-MR core ITR tests, and countermeasure-specific testing. Non-MR and countermeasure-specific test data will be archived in a database specific to the CEVP. Development of a CEVP Database will be critical to documenting the progress of candidate countermeasures. The goal of this work is a fully functional software system that will integrate computer-based data collection and storage with secure, efficient, and practical distribution of that data over the Internet. This system will provide the foundation of a new level of interagency and international cooperation for scientific experimentation and research, providing intramural, international, and extramural collaboration through management and distribution of the CEVP data. The research performed this summer includes the first phase of the project. The first phase of the project is a requirements analysis. This analysis will identify the expected behavior of the system under normal conditions and abnormal conditions; that could affect the system's ability to produce this behavior; and the internal features in the system needed to reduce the risk of unexpected or unwanted behaviors. The second phase of this project have also performed in this summer. The second phase of project is the design of data entry screen and data retrieval screen for a working model of the Ground Data Database. The final report provided the requirements for the CEVP system in a variety of ways, so that both the development team and JSC technical management have a thorough understanding of how the system is expected to behave.

Shin, Sung Y.↗

DOE OSTI2022

Robust Learning of Dynamic Interactions for Enhancing Power System Resilience (Final Scientific Report)

The overall goal of the project is to leverage robust graphical learning and phase measurement unit (PMU) data to learn the dynamic interactions of electrical grid components in order to improve the power system resilience. Specifically, the learned dynamic interaction graphs are utilized to detect known and unknown anomalous patterns in power systems, identify high-risk operational conditions, and enable risk-based cascading mitigation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1986

In-flight flow visualization of F-106B leading-edge vortex using the vapor-screen technique

A flight program was conducted with the objective to study the vortex flow systems existing around the F-106B aircraft. Level 1-G decelerating flight with varying angle of attack was considered along with conditions involving G levels in the range from 4.5 to 5.5 and angles of attack in the range from 16 to 19 degrees. It was demonstrated that the vapor screen technique can be applied successfully to flight vehicles under a variety of test conditions, taking into consideration the transonic maneuver performed by fighter aircraft. Details regarding the employed in-flight flow visualization technique are discussed, taking into account the seeding system, the light sheet system, the video system, the control system, and the recording of the data. Attention is also given to the flight program, the data development, and the scientific observations.

Lamar, J. E.↗

NASA NTRS2024

Pliocene Model Intercomparison Project Phase 3 (PlioMIP3) – Science Plan and Experimental Design

The Pliocene Model Intercomparison Project (PlioMIP) was initiated in 2008. Over two phases PlioMIP has helped co-ordinate the experimental design and publication strategy of the community, which has included an increasing number of climate models and modelling groups from around the world. It has engaged with palaeoenvironmental scientists to foster new data synthesis supporting the construction of new model boundary conditions, as well as to facilitate new data-model comparisons. The work has advanced our understanding of Pliocene climates and environments, enhanced our knowledge regarding the ability of complex climate and Earth System models to accurately simulate climate change, and helped to refine our estimates of how sensitive the climate system is to forcing conditions. In this community protocol paper, we outline the scientific plan for PlioMIP Phase 3 (PlioMIP3). This plan provides the required guidance to participating modelling groups from around the world to successfully set up and perform PlioMIP3 climate model experiments. The project is open to new participants from the scientific community (both from the climate modelling and geosciences communities). In PlioMIP3, we retain the PlioMIP2 Core experiments (Eoi 400 , E 280 ) and extend the Core requirements to include either an experiment focussed on the Early Pliocene or an alternative Late Pliocene simulation (or both). These additions (a) allow a comparison of Early and Late Pliocene warm intervals and help build research connections and synergy with the MioMIP (Miocene Model Intercomparison Project - also known as DeepMIP-Miocene) and PlioMioVAR projects (Pliocene-Miocene Variability Working Group), and (b) create an alternative time slice simulation for 3.205 Ma (MIS KM5c) through removal of some of the largest palaeogeographic differences introduced between PlioMIP1 and 2 resulting in minimal land-sea mask variations from the modern. In addition, we present ten optional experiments designed to enhance our assessment of climate sensitivity and to explore the uncertainty in greenhouse gas-related forcing. For the first time, we introduce orbital sensitivity experiments into the science plan, as well as simulations incorporating dynamic vegetation-climate feedbacks and an experiment designed to examine the potential significance of East Antarctic Ice Sheet boundary condition uncertainty. These changes enhance palaeo-to-future scientific connections and enable an exploration of the significance of palaeogeographic uncertainties on climate simulations.

Climate modelling↗

NASA NTRSDate not supplied

PolarMERRA: A Polar-Focused Global Reanalysis Project for Scientific and Stakeholder Needs

The adequate modeling of physical processes in the Arctic and Antarctic is vital for developing prediction capabilities and for obtaining an understanding of rapidly evolving polar conditions, including their potential global impacts. These processes are often poorly represented in global models and reanalyses, owing to a legacy modeling focus on midlatitude processes, as well as a scarcity of observations needed for model development in polar regions. The polarMERRA initiative, a joint effort between NASA’s Cryospheric Sciences and Modeling and Prediction programs, seeks to improve the representation of cryospheric and polar atmospheric processes and to develop an open-source framework for a quantitively evaluation of polar-relevant variables against current and future satellite and in-situ observations, models, and reanalyses. Here, we evaluate the impacts of spatial resolution and modifications to sea ice, ice sheet, and atmospheric parameterizations on the representation of high latitude conditions by using a quantitative scorecard approach that leverages NASA’s extensive satellite record. Investigations are conducted using the NASA Goddard Earth Observing System model (GEOS) and its data assimilation system (GEOS DAS). Through a quantitative identification of process deficiencies, bias reductions in key surface variables, including temperature and precipitation over cryospheric surfaces, may be achieved. The polarMERRA project additionally seeks to identify additional data sources for use in the GEOS DAS, and to incorporate data and parameterization improvements into future model and reanalysis products for scientific and stakeholder use.

Lauren C Andrews↗

DOE OSTI2014

Final Report of “Collaborative research: Fundamental science of low temperature plasma-biological material interactions” (Award# DE-SC0005105)

Low temperature plasma (LTP) treatment of biological tissue is a promising path toward sterilization of bacteria due to its versatility and ability to operate under well-controlled and relatively mild conditions. The present collaborative research of an interdisciplinary team of investigators at University of Maryland, College Park (UMD), and University of California, Berkeley (UCB) focused on establishing our knowledge on low temperature plasma-induced chemical modifications in biomolecules that result in inactivation due to various plasma species, including ions, reactive radicals, and UV/VUV photons. The overall goals of the project were to identify the mechanisms by which low and atmospheric pressure plasma (APP) deactivates endotoxic biomolecules. Additionally, we wanted to understand how deactivation processes depend on the interaction of APP with the environment. Various low pressure plasma sources, a vacuum beam system and several atmospheric pressure plasma sources were used to accomplish these objectives. In our work we elucidated for the first time the role of ions, VUV photons and radicals in biological deactivation of model endotoxic biomolecules, both in a UHV beam system and an inductively coupled, low pressure plasma system, and established the associated atomistic modifications in biomolecules. While we showed that both ions and VUV photons can be very efficient in deactivation of biomolecules, significant etching and/or deep modification (~200 nm) were accompanied by these biological effects. One of the most important findings in this work is that the significant deactivation and surface modification can occur with minimal etching using radical species. However, if radical fluxes and corresponding etch rates are relatively high, for example, at atmospheric pressure, inactivation of endotoxic biomolecule film may require near-complete removal of the film. These findings motivated further work at atmospheric pressure using several types of low temperature plasma sources with modified geometry where radical induced interactions generally dominate due to short mean free paths of ions and VUV photons. In these conditions we demonstrated the importance of environmental interactions of plasma species when APP sources are used to modify biomolecules. This is evident from both gas phase characterization data and in-situ surface characterization of treated biomolecules. Environmental interactions can produce unexpected outcomes due to the complex reactions of reactive species with the atmosphere which determine the composition of reactive fluxes and atomistic changes in biomolecules. Overall, this work elucidated a richer spectrum of scientific opportunities and challenges for the field of low temperature plasma-biomolecule surface interactions than initially anticipated, in particular, for plasma sources operating at atmospheric pressure. The insights produced in this work, e.g. demonstration of the importance of environmental interactions, are generally important for applications of APP to materials modifications. Thus one major contributions of this research has been the establishment of methodologies to study the interaction of plasma with bio-molecules in a systemic and rigorous manner. In particular, our studies of atmospheric pressure plasma sources using very well-defined experimental conditions enabled us to correlate atomistic surface modifications of biomolecules with changes in their biological function. The clarification of the role of ions, VUV photons and radicals in deactivation of biomolecules during low pressure and atmospheric pressure plasma-biomolecule interaction has broad implications, e.g. for the emerging field of plasma medicine. The development of methods to detect the effects of plasma treatment on immune-active biomolecules will lay a fundamental foundation to enhance our understanding of the effect of plasma on biological systems. be helpful in many future studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

5G Enabled Energy Innovation: Advanced Wireless Networks for Science (Workshop Report)

Rapidly expanding, new telecommunications infrastructure based on 5G technologies will disrupt and transform how we design, build, operate, and optimize scientific infrastructure and the experiments and services enabled by that infrastructure, from continental-scale sensor networks to centralized scientific user facilities, from intelligent Internet of Things devices to supercomputers. Concurrently, 5G will introduce, or exacerbate, challenges related to protecting infrastructure and associated scientific data as well as to fully leveraging opportunities related to expanded infrastructure scale and complexity. The U.S. Department of Energy (DOE) Office of Science operates scientific infrastructure, supporting some of the nation’s most advanced intellectual discoveries, spanning the country and including 30 world-class user facilities from supercomputers to accelerators. Along with field experiments and remote observatories, every aspect of DOE’s scientific enterprise will be affected by 5G, which amounts to a complete renovation of the underpinnings of the nation’s information infrastructure. In this report we explore the scientific opportunities and new research challenges associated with 5G, ranging from scalability to heterogeneity to cybersecurity. The rapid commercial deployment of 5G opens the opportunity to rethink and reinvent DOE’s scientific infrastructure and experimentation, from intelligent sensor networks at unprecedented scales to a digital continuum of cyberinfrastructure spanning low-power sensors, high-performance computing embedded within and at the edge of the network, and DOE’s large-scale user instrument and computing facilities. New programming paradigms, workflow and data frameworks, and AI-based system design, operation, and autonomous adaptation and optimization will be necessary in order to exploit these new opportunities. Field deployments and centralized scientific instruments can also be revolutionized, moving (without traditional performance penalties) from wired to wireless connectivity for data and control systems, improving flexibility, and opening new sensing modalities, including the use of the 5G electromagnetic spectrum itself as an environmental probe. For DOE science, in contrast to commercial 5G applications and settings, devices will be deployed in extreme environments such as cryogenically cooled instrument control systems and in remote settings with harsh conditions, requiring the design of new materials for RF communication and edge processing to operate in these regimes. Concurrently, 5G infrastructure comprises both hardware and sophisticated software systems - currently closed and proprietary. The cybersecurity challenges to 5G-empowered reinvention mirror the complexity and variety of new 5G features, from virtualization to private network slices to ubiquitous access. Research is also needed in order to accelerate the development of secure and open 5G software infrastructure, reducing reliance on hardware and software produced outside the United States and providing the transparency and rigorous evaluation and testing afforded through open software. Twelve broad research thrusts are laid out in four chapters, with a companion fifth chapter (and three additional research thrusts) underscoring the needs and opportunities for an aggressive testbed program co-designed by networking experts and scientists involved in the 15 research thrusts. The urgency of undertaking this research is fueled by a global, accelerating deployment of new telecommunications infrastructure that is designed for entertainment and commercial applications - barely scratching the surface of what 5G can do to extend U.S. leadership in scientific discovery.

42 ENGINEERING↗