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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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At least 433 records · Page 24

Boundary, SOL, and Divertor Physics Studies on TCV (Final Report for Research Funded by DoE Award DE-SC0020327)

Research supported under this grant was organized around two diagnostic systems installed on the TCV tokamak located at EPFL in Lausanne, Switzerland: Multi-Spectral Imaging (MSI) and Gas-Puff Imaging (GPI). MSI monitors 2-d time-history images of up to 10 spectral lines, in the visible, using identical views for all wavelengths. The primary application of MSI is to infer 2-d time histories of electron temperature and density in the Scrape-Off-Layer (SOL) of diverted plasmas, utilizing ratios of emission from multiple neutral helium lines. The atomic models are validated against 1-d Thomson scattering measurements. SOL density and temperature maps are analyzed to infer divertor dynamics, including particle and power flows, for a variety of divertor configurations, and specifically as flux expansion along the long-legged outboard divertor is systematically varied. GPI is used to measure details of edge fluctuations in the SOL, particularly as a function of plasma triangularity (δ), including both positive and negative δ. A threshold is found, whereby for δ<-0.3, edge turbulence in the far SOL is completely suppressed. Dynamics of the filamentary turbulence was also analyzed using advance machine learning techniques. Research in support of four PhD theses was carried out within the scope of this Award, including 2 at MIT and 2 at EPFL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Final Report in Response to ARPA-E Contract Award Number DE-AR0001157

Autonomous operations and maintenance (O&M) by robots has been identified as a key technology to facilitate both the safe operation, and reduced operational costs associated with future nuclear reactors. Radiation and thermal environments, particularly associated with molten salt reactor designs, excludes the use of human proximity and so there is a need to train robots for tasks that have not yet been fully identified, or for accidents that may occur in the future. This program sought to develop a generic methodology that could be applied to train ‘any’ robot, to perform ‘any’ task, through the use of machine learning (ML) training performed in a virtual reality (VR) environment that simulates the physically perceived task(s). The VR environment allows us to construct ‘any’ future task and the ML approach, which included reinforcement learning (RL), allowed us to generate extensive data sets that can be used to establish control algorithms to thereby control the physical robot in the physical environment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Direct Air Capture Using Novel Structured Adsorbents (DE-FE0031959 Final Technical Report)

The objective of this project was to advance direct air capture (DAC) technology through a novel combination of a vacuum-temperature swing CO 2 adsorption process and structured adsorbent beds (SABs). The technical approach was to construct and operate an Integrated DAC System (IDS) at a test facility in Orange County, California. A 30 kilogram per day (kg/day) integrated field test unit was deployed into the field for testing, producing a concentrated CO 2 stream of at least 95% purity. A novel combination of DAC process and hardware with a transformational structured adsorbent laminate filter was fielded and tested at this site. The field testing also captured operational data on the novel process and material combination under real conditions. Data from this were used to advise techno-economic and life cycle analyses (TEA/LCA) of the technology. Despite the early development status and IDS aiming at field validation at TRL 5 rather than commercial scale operations, these analyses give valuable indications of this new technology route’s potential for cost reductions in DAC-based carbon dioxide removal. Climeworks and Svante are committed to further development of the technology route, including the realization of existing further cost reduction potential.

54 ENVIRONMENTAL SCIENCES↗

Probing coherence in nanoscale energy transport with high spatial-temporal resolution. Final Technical Report for DOE Award Number DE-SC0019244

The overarching goal of this project is to understand how the phase coherence of phonons and the interaction of phonons with other microscopic degrees of freedom in nanomaterials, such as 2D materials, can affect the energy transport properties and eventually lead to control of energy transport by manipulating phonon interference and phonon scatterings. On the computational side, we are developing and applying first-principles methods to study emerging phonon properties in nanomaterials, including coherent phonons, resonant bonding and gate-tunable phonon-electron scatterings, which hold the promise of enabling significant tunability of energy transport processes with external fields for a wide range of applications. On the experimental side, we are developing ultrafast transient grating spectroscopy and scanning ultrafast electron microscopy (SUEM) to directly probe the coherent phonon transport and phonon-electron interaction processes in nanomaterials with high combined spatial-temporal resolutions. This program will not only provide new insights into the microscopic transport and interaction processes of fundamental energy carriers, but also open new venue towards energy-relevant applications such as thermal switches and coherent energy harvesters.

42 ENGINEERING↗

Optical Generation and Manipulation of Spin Qubits for Molecular Quantum Information Science (DE-SC0020199 Final Report)

Final Report containing published results and major accomplishments. Major accomplishments during this grant include elucidating the complex mechanisms of photoinduced ground-state electron spin polarization (PIESP) for these complexes. Several detailed studies relating molecular structure and PIESP are detailed. In addition, we have demonstrated polarization of two coupled ground-state spins with a single photon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Porous Organic Cage Membranes for Molecular Gas Separations (Final Technical Report for DE-SC0021357)

This proposal aims at demonstrating the development of a novel family of membranes, composed of porous organic cages (POC) which offer the possibility of displaying high separation performance for challenging molecular gas separations relevant to natural gas purification, and olefin/paraffin separation. The proposed POCs synthesized in membrane form will display the most desirable properties of polymers (facile processability and flexibility) and inorganic materials (hierarchically ordered pores with molecular sieving properties) leading to highly selective and permeable membranes. POCs should display distinctive structural, compositional, adsorption and transport properties than those of conventional porous materials, opening the doors for a new research direction in membrane science, and gas separations. Our preliminary results demonstrate the feasibility of preparing POC crystals with controlled size, and continuous POC membranes with remarkable high permeances, and separation ability for CO 2 /CH 4 , N 2 /CH 4 and C 3 H 6 /C 3 H 8 separations serving as a solid foundation for our proposed work. Fundamentally, this proposal aims at elucidating separation mechanisms of different gas mixtures related to natural gas composition, and olefin/paraffin separation over porous organic cage membranes. The proposed research will result in fundamental understanding of adsorption and transport properties of industrially relevant gas molecules through novel microporous membranes, and may lead to the development of a cost effective membrane technology for natural gas purification, and olefin/paraffin separation surpassing the conventional benchmark technology distillation. Furthermore, we aim at demonstrating selective water transport through POC membranes, which can be positively impactful in numerous industrial applications in which water is present. The ability to fabricate thin, chemically and mechanically stable POC membranes for societal relevant gas separations constitute a new and distinctive direction in membrane science. Our proposed work aims at addressing some of the challenges recognized in the Research Agenda for Transforming Separation Science . Specifically: (a) advancing understanding of complex mixtures on separation performance; (b) exploring thermodynamic and kinetic mechanisms through the elucidation of separation mechanisms, and (c) study potential stability issues of the membranes to be assessed by evaluating the long term membrane stability and performance at various temperatures and pressures. The team is uniquely qualified to execute the proposed work. The PI has solid expertise in the rational molecular engineering design of porous crystalline membranes for molecular gas separations. The PNNL collaborator has extensive experience in the synthesis, characterization, and functional applications of microporous crystals, with particular emphasis on gas adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Report DE-SC0020432 PI: Frank, Adam

This goal of this proposal was a focused study to understand multi‐dimensional Colliding Magnetized Radiative Plasma flows (or CMRPs) relevant to basic plasma physics and jets in the context of stellar evolution astrophysics.

Frank, Adam↗

Nion Swift FY2021 phase I Final Technical Report DE-SC0021546

Phase I of the project is an on-going success. The enhanced and extended new application programming interface (API) developed in Phase I is in use at customer sites around the world: Berlin, UK, US, China, France, Austria. The modules developed to demonstrate the new API features are in daily use at these sites for acquiring, processing, and analyzing microscopy data from 4D- and 5D-STEM to single-point spectroscopy at highest resolution.

Lovejoy, Tracy↗

Supplemental Funding - Elementary Particle Physics: Progress and Promise (DE-SC0021427 Final Technical Report)

The field of elementary particle physics explores the universe at the smallest and largest scales to study the fundamental constituents of matter and energy. The United States plays the leading role in this global effort, including some of the world's most extensive scientific collaborations and most complex machines. Current U.S. investments in particle physics are guided by the strategy and priorities identified in the 2014 report of the Particle Physics Project Prioritization Panel (P5), the culmination of a multi-year community-driven process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding and Tailoring Diffusion and Co-Adsorption Inside the Confined Pores of Metal-Organic Frameworks (Final Scientific/Technical Report for Award DE-SC0019902)

The aim of this program was to gain a fundamental understanding of the behavior of various guest molecules in nano-confined environments, such as metal organic frameworks (MOFs), using a combination of novel synthesis, ab initio modeling, and in situ characterization. Through this project, we developed a concise understanding of the mechanisms that control adsorption/desorption of gaseous molecules and their mixtures, leading to design/synthesis guidelines for MOFs with desired functionality. We further developed methods to disentangle kinetic from thermodynamic effects during adsorption, as well as to characterize the interactions at play. In the first funding cycle, the focus was on the unambiguously characterization of co-adsorption and diffusion of gasses/vapors and their mixtures. In the second funding cycle, the focus was on characterizing the effects of the nano-confinement on the kinetics and thermodynamics of adsorption processes inside MOFs, again with an emphasis on mixtures of gasses and vapors. The nano-confinement can tip the thermodynamic vs. kinetic balance, and current understanding and theory based on single-component analysis can lead to incorrect predictions for mixtures. This is of particular interest in real-world applications, where gasses/vapors are typically mixed, contain impurities, or are often exposed to humid conditions. Our main findings were: (i) within confined environments the adsorption behavior of mixed gasses/vapors can be drastically different from the “sum” of the corresponding single phases; (ii) co-adsorption is often competitive and detrimental to performance, but it can also be cooperative and beneficial; (iii) in some co-adsorbed gasses/vapors, molecules that are strongly bound in the single-component phase can be replaced by molecules that are nominally weaker bound (molecular exchange) due to guest-guest interactions that lower the kinetic barriers and favor the final adsorption state; (iv) kinetic and thermodynamic effects can be precisely controlled through pore-size engineering and synthesis; and, (v) kinetic effects can be identified and disentangled from thermodynamic effects during adsorption through a series of sequential and simultaneous gas loading measurements. The short-term goal of this program was the controlling and understanding of common MOF systems in real-world situations where gasses/vapors are mixed, which will have an important impact on industrial processes and applications from gas storage and sequestration to catalysis and sensors. The long-term goals include the development of theoretical and experimental methods for gaining a fundamental understanding of adsorption/reaction processes within MOFs, as well as new guidelines for synthesizing MOFs with tailored physical and chemical properties.

36 MATERIALS SCIENCE↗

Research at UC Berkeley on the SPICE and HeRALD Dark Matter Experiments (Technical Report for DE-SC0022354)

The McKinsey and Pyle groups have taken on the responsibility to complete a number of critical tasks necessary for the successful completion of the TESSERACT project planning phase. In particular: 1) Transition Edge Sensor testing, characterization, and electromagnetic noise mitigation; 2) Design and testing of the athermal phonon detectors along with vibrational noise characterization and mitigation; 3) Testing and characterization of prototype detectors using silica, sapphire, gallium arsenide, and superfluid helium as detector materials. This grant supported efforts of graduate student Roger Romani toward these goals.

47 OTHER INSTRUMENTATION↗

Understanding the Molecular‐level Interactions Between Ionic Liquids and Molecular Species to Design and Develop Novel Solvent Systems for Environmental and Energy Applications (DOE-EPSCoR – DE‐SC0020282 Final Technical Report)

The central theme of the work is to develop an understanding of the molecular-level interactions between ionic liquids and molecular species that govern a specific set of separations (aliphatic/aromatic, Topic I), reactions (SNAr, high-temp reactions, Topic II) and polymer (ultrahigh performance polymers, Topic III) synthesis processes through the synergistic application of synthesis, characterization and simulation. Understanding these interactions will provide significant insight into how to optimize these and other processes that are influenced by these interactions. An important additional goal is to build the collaborative infrastructure to enable the cluster researchers to develop professional relationships to enhance this and future research endeavors. This collaboration, the Alabama Advanced Solvents Cluster (AASC) is on ongoing collaborative effort between many of the investigators.

36 MATERIALS SCIENCE↗

Support for the Core Research Activities and Studies of the Computer Science and Telecommunications Board (DE-SC0020446 Final Technical Report)

Supported the core operations of the National Academies' Computer Science and Telecommunications Board (CSTB). Helped support planning and conducting of board meetings, identification of priority topics in computer science and other areas of computing and communications technologies, and oversight for CSTB's portfolio of studies and convenings. Activities shaped and overseen included: a workshop on Al for scientific discovery; collaborative work with other Academies units on a study on foundational research gaps and future directions for digital twins; a study on current capabilities, future prospects, and governance of facial recognition technologies, a study on post- exascale computing; a study on fostering responsible computing research, collaborative work with other Academies units on automated research workflows for accelerated scientific discovery; a study on meeting federal cybersecurity workforce needs, and a study of the ecosystem driving information technology innovation.

97 MATHEMATICS AND COMPUTING↗