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Nevada National Security Site: Site-Directed Research and Development (SDRD) Fiscal Year 2015 Annual Report

This report presents results of multiple research projects, new and ongoing, funded under the Site-Directed Research and Development Program for the Nevada National Security Site during federal fiscal year 2015. The Site's legacy capabilities in remote sensing combined with new paradigms for emergency response and consequence management help drive the need to develop advanced aerial sensor platforms. Likewise, dynamic materials science is a critical area of scientific research for which basic physics issues are still unresolved. New methods of characterizing materials in extreme states are vitally needed, and these efforts are paving the way with new knowledge. Projects selected in FY 2015 for the Exploratory Research portfolio exhibit a strong balance of NNSS mission relevance. Geoscience, seismology, and techniques for detecting underground nuclear events are still essential focus areas. Many of the project reports in the second major section of this annual report are ongoing continuations in multi-year lifecycles. Diagnostic techniques for stockpile and nuclear security science figured prominently as well, with a few key efforts coming to fruition, such as phase transition detection. In other areas, modeling efforts toward better understanding plasma focus physics has also started to pay dividends for major program needs.

42 ENGINEERING↗

MEASURING COLLISIONLESS DAMPING IN HELIOSPHERIC PLASMAS USING FIELD–PARTICLE CORRELATIONS

An innovative field–particle correlation technique is proposed that uses single-point measurements of the electromagnetic fields and particle velocity distribution functions to investigate the net transfer of energy from fields to particles associated with the collisionless damping of turbulent fluctuations in weakly collisional plasmas, such as the solar wind. In addition to providing a direct estimate of the local rate of energy transfer between fields and particles, it provides vital new information about the distribution of that energy transfer in velocity space. This velocity-space signature can potentially be used to identify the dominant collisionless mechanism responsible for the damping of turbulent fluctuations in the solar wind. The application of this novel field–particle correlation technique is illustrated using the simplified case of the Landau damping of Langmuir waves in an electrostatic 1D-1V Vlasov–Poisson plasma, showing that the procedure both estimates the local rate of energy transfer from the electrostatic field to the electrons and indicates the resonant nature of this interaction. Modifications of the technique to enable single-point spacecraft measurements of fields and particles to diagnose the collisionless damping of turbulent fluctuations in the solar wind are discussed, yielding a method with the potential to transform our ability to maximize the scientific return from current and upcoming spacecraft missions, such as the Magnetospheric Multiscale ( MMS ) and Solar Probe Plus missions.

79 ASTRONOMY AND ASTROPHYSICS↗

Observing programs in solar physics during the 1973 ATM Skylab program.

Description of the Apollo Telescope Mount (ATM), a set of spaceborne X-ray, ultraviolet, and visible-light telescopes intended to implement the extensive series of solar observations representing one of the major tasks assigned to the three-man crews who will perform three (respectively 28-, 56-, and 56-day long) manned orbital flights in mid-1973, known collectively as the Skylab mission. The ATM capabilities, its principal scientific goals, and planned observing program are reviewed, along with the methods to be used for coordinating the observations with ground-based and other kinds of solar observations.

Reeves, E. M.↗

Thermal integration of Spacelab experiments

The method of thermally integrating the experiments for Spacelab is discussed. The scientific payload consists of a combination of European and United States sponsored experiments located in the module as well as on a single Spacelab pallet. The thermal integration must result in accomodating the individual experiment requirements as well as ensuring that the total payload is within the Spacelab Environmental Control System (ECS) resource capability. An integrated thermal/ECS analysis of the module and pallet is performed in concert with the mission timeline to ensure that the agreed upon experiment requirements are accommodated and to ensure the total payload is within the Spacelab ECS resources.

Patterson, W. C.↗

Installing scientific instruments into a cold LHe dewar - The Gravity Probe B approach

Gravity Probe B is an orbital test of Einstein's general theory of relativity using gyroscopes. The precession of the gyroscopes will measure both the geodetic effect (6.6 arcsec/yr) through the curved space-time surrounding the earth and the motional effect (0.042 arcsec/yr) due to the rotating earth dragging space-time around with it. To achieve the extraordinary accuracies needed to measure these small precessions, it is necessary to have the gyroscopes operating in the following environments: a vacuum of less than 10 exp -10 torr; an acceleration level of less than 10 exp -10 g's; a magnetic field of less than 10 exp -7 gauss; and a temperature near 2 K. This paper discusses designs that allow scientific instruments to be installed into a dewar at 4.2 K. Methods for structurally supporting the instruments, transferring heat across joints at low temperature in vacuum, and excluding air during the insertion process are discussed. The structural support method is designed for Shuttle launch loads.

Parmley, Richard T.↗

The Polar Exploration of Mars

Apart from the Earth, Mars is the only planet in our Solar System to possess significant and traversable polar caps that could potentially play host to a long term program of human polar exploration. Such explorations may provide valuable information on the structure of the martian poles, both geologically and from the point of view of gaining an increased insight into volatile cycling in the martian atmosphere, past and present. Here some initial considerations are made on the nature and methods for the human exploration of the martian poles and the scientific objectives that might be prioritized for such missions. The first proposed strategies and routes for overland Mars polar expeditions, using the nature of terrestrial polar expedition attempts as a template, are also suggested.

Cockell, C. S.↗

Advanced Communications Architecture Demonstration Made Significant Progress

Simulation for a ground station located at 44.5 deg latitude. The Advanced Communications Architecture Demonstration (ACAD) is a concept architecture to provide high-rate Ka-band (27-GHz) direct-to-ground delivery of payload data from the International Space Station. This new concept in delivering data from the space station targets scientific experiments that buffer data onboard. The concept design provides a method to augment the current downlink capability through the Tracking Data Relay Satellite System (TDRSS) Ku-band (15-GHz) communications system. The ACAD concept pushes the limits of technology in high-rate data communications for space-qualified systems. Research activities are ongoing in examining the various aspects of high-rate communications systems including: (1) link budget parametric analyses, (2) antenna configuration trade studies, (3) orbital simulations (see the preceding figure), (4) optimization of ground station contact time (see the following graph), (5) processor and storage architecture definition, and (6) protocol evaluations and dependencies.

Carek, David Andrew↗

buhito

buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.

Pimonova, Yulia↗

Analytical and Computational Advances, Opportunities, and Challenges in Marine Organic Biogeochemistry in an Era of “Omics”

Advances in sampling tools, analytical methods, and data handling capabilities have been fundamental to the growth of marine organic biogeochemistry over the past four decades. There has always been a strong feedback between analytical advances and scientific advances. However, whereas advances in analytical technology were often the driving force that made possible progress in elucidating the sources and fate of organic matter in the ocean in the first decades of marine organic biogeochemistry, today process-based scientific questions should drive analytical developments. Several paradigm shifts and challenges for the future are related to the intersection between analytical progress and scientific evolution. Untargeted “molecular headhunting” for its own sake is now being subsumed into process-driven targeted investigations that ask new questions and thus require new analytical capabilities. However, there are still major gaps in characterizing the chemical composition and biochemical behavior of macromolecules, as well as in generating reference standards for relevant types of organic matter. Field-based measurements are now routinely complemented by controlled laboratory experiments and in situ rate measurements of key biogeochemical processes. And finally, the multidisciplinary investigations that are becoming more common generate large and diverse datasets, requiring innovative computational tools to integrate often disparate data sets, including better global coverage and mapping. Here, we compile examples of developments in analytical methods that have enabled transformative scientific advances since 2004, and we project some challenges and opportunities in the near future. We believe that addressing these challenges and capitalizing on these opportunities will ensure continued progress in understanding the cycling of organic carbon in the ocean.

59 BASIC BIOLOGICAL SCIENCES↗

Quenching Combustible Dust Mixtures Using Electric Particulate Suspensions (EPS): A New Testing Method For Microgravity

The Electric Particulate Suspension (EPS) is a combustion ignition system being developed at Iowa State University for evaluating quenching effects of powders in microgravity (quenching distance, ignition energy, flammability limits). Because of the high cloud uniformity possible and its simplicity, the EPS method has potential for "benchmark" design of quenching flames that would provide NASA and the scientific community with a new fire standard. Microgravity is expected to increase suspension uniformity even further and extend combustion testing to higher concentrations (rich fuel limit) than is possible at normal gravity. Two new combustion parameters are being investigated with this new method: (1) the particle velocity distribution and (2) particle-oxidant slip velocity. Both walls and (inert) particles can be tested as quenching media. The EPS method supports combustion modeling by providing accurate measurement of flame-quenching distance as a parameter in laminar flame theory as it closely relates to characteristic flame thickness and flame structure. Because of its design simplicity, EPS is suitable for testing on the International Space Station (ISS). Laser scans showing stratification effects at 1-g have been studied for different materials, aluminum, glass, and copper. PTV/PIV and a leak hole sampling rig give particle velocity distribution with particle slip velocity evaluated using LDA. Sample quenching and ignition energy curves are given for aluminum powder. Testing is planned for the KC-135 and NASA s two second drop tower. Only 1-g ground-based data have been reported to date.

Colver, Gerald M.↗

Advanced Curation Development of Tools and Methods for Microparticle Curation

The Astromaterials Acquisition and Curation Office at NASA Johnson Space Center is currently developing new tools and methods for the collection, storage, handling and characterization of particles less than 100 microns in diameter, or microparticles. Astromaterials Curation currently maintains four microparticle collections: Cosmic Dust that has been collected in Earth’s stratosphere by ER2 and WB-57 aircraft, Comet 81P/Wild 2 dust returned by NASA’s Stardust spacecraft, interstellar dust that was returned by Stardust, and asteroid Itokawa particles that were returned by the JAXA (Japan Aerospace Exploration Agency)’s Hayabusa spacecraft. NASA Curation is currently preparing for the anticipated return of two new astromaterials collections – asteroid Ryugu regolith to be collected by Hayabusa II spacecraft in 2021 (samples will be provided by JAXA as part of an international agreement), and asteroid Bennu regolith to be collected by the OSIRIS-REx (Origins Spectral Interpretation Resource Identification Security - Regolith Explorer) spacecraft in 2023. In order to maximize the scientific yield from these valuable acquisitions, it will be necessary to develop methods that extend our current microsample handling capabilities. Here we describe recent progress in the development of sample handling techniques that will enhance our microparticle curation capabilities. Further described are: Six-Axis Robot Arms for Particle Manipulation, and Charge-Dissipative Substrates.

Snead, Christopher↗

Characteristics of oxide-dispersion strengthened alloys produced by high-temperature severe deformation

This study is to explore an economically attractive and technically feasible processing method for oxide-nanoparticle strengthened alloys for fusion reactor application. Despite many scientific merits of the advanced oxide-dispersion strengthened (ODS) alloys, such as the nanostructured ferritic alloy (NFA) 14YWT, the only viable production path for a high-quality NFA is the high-power mechanical alloying process. This process is often a multi-day high-speed ball milling of alloy powder with a small quantity of yttria (Y 2 O 3 ) powder, followed by the milled-powder consolidation using extrusion or other methods and additional thermomechanical processing (TMP) for property control. This complex production path, including the low-temperature mechanical alloying in particular, has limited technical advancement toward the cost-effective and scale-up production of ODS alloy components. To overcome such a practical limitation, we proposed to explore alternative low-cost processing routes using traditional thermomechanical processing (TMP) method only. Further, a series of continuous TMP cycles, which were designed to impose high-temperature severe plastic deformation (HT-SPD) conditions to the consolidated powder mixtures, were applied to achieve the effective distribution of oxide particles in nanograin structure and thus desirable mechanical properties. Since the reduced-activation ferritic-martensitic (RAFM) alloy powders (Fe-10Cr and Fe-14Cr alloys with various Y contents) are available in our inventory, we focused to utilize the new solid-state synthesis approach for controlling oxide (oxygen source) dissolution and nanoscale clustering in nanograin structure in those alloys. A combination of powder consolidation at 900 °C and continuous thermomechanical activation at 600 °C yielded two essential ODS alloy microstructure contents–nanograin structure and nanoparticle distribution–and thus demonstrated a good combination of strength and ductility.

36 MATERIALS SCIENCE↗

Extravehicular Activity Asteroid Exploration and Sample Collection Capability

NASA's Asteroid Redirect Crewed Mission (ARCM) is challenged with primary mission objectives of demonstrating deep space Extravehicular Activity (EVA) and tools, and obtaining asteroid samples to return to Earth for further study. Although the Modified Advanced Crew Escape Suit (MACES) is used for the EVAs, it has limited mobility which increases fatigue and decreases the crews' capability to perform EVA tasks. Furthermore, previous Shuttle and International Space Station (ISS) spacewalks have benefited from EVA interfaces which have been designed and manufactured on Earth. Rigid structurally mounted handrails, and tools with customized interfaces and restraints optimize EVA performance. For ARCM, some vehicle interfaces and tools can leverage heritage designs and experience. However, when the crew ventures onto an asteroid capture bag to explore the asteroid and collect rock samples, EVA complexity increases due to the uncertainty of the asteroid properties. The variability of rock size, shape and composition, as well as bunching of the fabric bag will complicate EVA translation, tool restraint and body stabilization. The unknown asteroid hardness and brittleness will complicate tool use. The rock surface will introduce added safety concerns for cut gloves and debris control. Feasible solutions to meet ARCM EVA objectives were identified using experience gained during Apollo, Shuttle, and ISS EVAs, terrestrial mountaineering practices, NASA Extreme Environment Mission Operations (NEEMO) 16 mission, and during Neutral Buoyancy Laboratory testing in the MACES suit. The proposed concept utilizes expandable booms and integrated features of the asteroid capture bag to position and restrain the crew at the asteroid worksite. These methods enable the capability to perform both finesse, and high load tasks necessary to collect samples for scientific characterization of the asteroid. This paper will explore the design trade space and options that were examined for EVA, the overall concept for the EVAs including translation paths and body restraint methods, potential tools used to extract the samples, design implications for the Asteroid Redirect Vehicle (ARV) for EVA, the results of early development testing of potential EVA tasks, and extensibility of the EVA architecture to NASA's exploration missions.

Scoville, Zebulon↗

Multiplexing Focusing Analyzer for Efficient Stress-Strain Measurements

Statement of the problem or situation that is being addressed. Although thermal and cold neutron scattering is widely used and is critical for success in many areas of materials science and engineering, relatively low neutron fluxes severely limit applications of not only laboratory neutrons generators, but also large national neutron facilities. State-of-the-art thermal and cold neutron sources are large expensive national facilities, which serve diverse community of scientific and industrial users. The constant need to improve the instruments performance, stems from the fact that neutron methods are gaining in popularity, and becoming more and more powerful, while new neutron sources are not being constructed to keep pace with the developments and needs of the scientific community. Small research reactors at universities and National Labs, and laboratory-based neutron generators, are necessary not only for education and training, but also when samples cannot be transported to other facilities. However, the standard neutron techniques, which were developed for high-flux facilities, require much higher efficiencies to be used effectively with the low fluxes of small sources. Thus, the efficient use of neutron sources, such as with our proposed analyzer, is important for the progress and broader use of these neutron techniques. General statement of how this problem is being addressed. We propose to design and demonstrate novel diffractive optical device, which will enable very efficient residual stress neutron diffractometers. The proposed device will be a multi-foil analyzer, where each foil is constructed of focusing bent single crystals of Si. Such device will enable polychromatic residual stress neutron diffraction. At large national facilities, such as at Oak Ridge National Laboratory, these analyzers would enable very fast measurements for determining residual stress tensors, raster large samples or screen multiple samples. Commercial Applications and Other Benefits The outcome of this project would be the demonstration of commercial devices, novel neutron optical components, which could be utilized to improve the performance of existing instruments or build novel neutron scattering instruments at DOE neutron facilities and commercial laboratory neutron sources. These new devices will widen the scope of research conducted using neutrons and enable measurements not feasible at present. Summary for Members of Congress Thermal and cold neutron beams are a powerful materials science probe, which provide unique information about the structure of matter. The proposed innovations expand the reach of neutron-based investigations to new materials and industries by enabling new instrumentation capabilities, thereby greatly enhancing and expanding the role of small, laboratory-based neutron instrumentation, and improving education and training of neutron users.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A lightweight method for evaluating in situ workflow efficiency

Performance evaluation is crucial to understanding the behavior of scientific workflows. In this study, we target an emerging type of workflow, called in situ workflows. These workflows tightly couple components such as simulation and analysis to improve overall workflow performance. To understand the tradeoffs of various configurable parameters for coupling these heterogeneous tasks, namely simulation stride, and component placement, separately monitoring each component is insufficient to gain insights into the entire workflow behavior. Through an analysis of the state-of-the-art research, we propose a lightweight metric, derived from a defined in situ step, for assessing resource usage efficiency of an in situ workflow execution. By applying this metric to a synthetic workflow, which is parameterized to emulate behaviors of a molecular dynamics simulation, we explore two possible scenarios (Idle Simulation and Idle Analyzer) for the characterization of in situ workflow execution. In addition to preliminary results from a recently published study [11], we further exploit the proposed metric to evaluate a practical in situ workflow with a real molecular dynamics application, i.e., GROMACS. Here, experimental results show that the in transit placement (analytics on dedicated nodes) sustains a higher frequency for performing in situ analysis compared to the helper-core configuration (analytics co-allocated with simulation).

97 MATHEMATICS AND COMPUTING↗

Learning dynamical systems from data: An introduction to physics-guided deep learning

Modeling complex physical dynamics is a fundamental task in science and engineering. Traditional physics-based models are first-principled, explainable, and sample-efficient. However, they often rely on strong modeling assumptions and expensive numerical integration, requiring significant computational resources and domain expertise. While deep learning (DL) provides efficient alternatives for modeling complex dynamics, they require a large amount of labeled training data. Furthermore, its predictions may disobey the governing physical laws and are difficult to interpret. Physics-guided DL aims to integrate first-principled physical knowledge into data-driven methods. It has the best of both worlds and is well equipped to better solve scientific problems. Recently, this field has gained great progress and has drawn considerable interest across discipline Here, we introduce the framework of physics-guided DL with a special emphasis on learning dynamical systems. We describe the learning pipeline and categorize state-of-the-art methods under this framework. We also offer our perspectives on the open challenges and emerging opportunities.

97 MATHEMATICS AND COMPUTING↗

Axisymmetric and Focusing Analyzers to Enable Efficient Powder and Residual Stress Neutron Diffractometers

Project Summary: Company: Adelphi Technology, Inc., Redwood City, CA 94063-4121 DOE Phase 1 STTR PI: Dr. Jay Theodore Cremer, Jr. Chief Scientist at Adelphi Technology, Inc. DOE Phase 1 STTR with: Dr. Boris Khaykovich of Massachusetts Institute of Technology (MIT) MIT Nuclear Reactor Laboratory DOE Phase 1 STTR Title: Axisymmetric and Focusing Analyzers to Enable Efficient Powder and Residual Stress Neutron Diffractometers Statement of the problem or situation that is being addressed: Although thermal and cold neutron scattering is widely used, and is critical for success in many areas of materials science and engineering, relatively low neutron fluxes severely limit applications of not only laboratory neutrons generators, but also large national neutron facilities. State-of-the-art thermal and cold neutron sources are large expensive national facilities, which serve diverse community of scientific and industrial users. The constant need to improve the instruments performance, stems from the fact that neutron methods are gaining in popularity, and becoming more and more powerful, while new neutron sources are not being constructed, so as to keep pace with the developments and needs of the scientific community. Small research reactors at universities and National Labs, and laboratory-based neutron generators, are necessary not only for education and training, but also when samples cannot be transported to other facilities. However, the standard neutron techniques, which were developed for high-flux facilities, require much higher efficiencies to be used effectively with the low fluxes of small sources. Thus, the efficient use of neutron sources, such as with our proposed analyzer, is important for the progress and broader use of these neutron techniques. General statement of how this problem is being addressed: We strive to achieve the goal of efficient use of available thermal and cold neutrons, by introducing here, novel analyzers for powder diffraction and stress-strain measurements. These analyzers will enable polychromatic cold and thermal neutron diffractometers, which will have much higher throughput than existing instruments. At large national facilities, such as at Oak Ridge National Laboratory, these analyzers would enable very fast instruments for screening of multiple samples, for measuring kinetic processes, or for measuring residual stress tensors. Commercial Applications and Other Benefits: By combining the novel analyzers with the Adelphi thermal neutron generator, we will open a new market, which includes the testing of samples that cannot be transported, such as nuclear fuels, or the testing of parts during production. Given the reasonable cost and size of our proposed analyzer systems, along with the continuing development of more powerful thermal neutron generators, the proposed analyzers will be suitable for weak neutrons sources, which are installed at small to large university, industrial, and government laboratories. Key Words: Neutron powder diffraction, residual stress measurements, thermal neutron generators, TRIGA reactors, low flux thermal and cold neutron sources, neutron diffraction. Summary for Members of Congress: Thermal and cold neutron beams are a powerful materials science probe, which provide unique information about the structure of matter. The proposed innovations expand the reach of neutron-based investigations to new materials and industries by enabling new instrumentation capabilities, thereby greatly enhancing and expanding the role of small, laboratory-based neutron instrumentation, and improving education and training of neutron users.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗