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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrOF by Materials Project

PrOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pr–O bond lengths are 2.47 Å. All Pr–F bond lengths are 2.47 Å. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with four equivalent FPr4 tetrahedra, corners with twelve equivalent OPr4 tetrahedra, and edges with six equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form FPr4 tetrahedra that share corners with four equivalent OPr4 tetrahedra, corners with twelve equivalent FPr4 tetrahedra, and edges with six equivalent OPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrOF by Materials Project

PrOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pr–O bond lengths are 2.40 Å. There are three shorter (2.56 Å) and one longer (2.60 Å) Pr–F bond lengths. O2- is bonded to four equivalent Pr3+ atoms to form distorted OPr4 tetrahedra that share corners with six equivalent OPr4 tetrahedra, corners with ten equivalent FPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra. F1- is bonded to four equivalent Pr3+ atoms to form distorted FPr4 tetrahedra that share corners with six equivalent FPr4 tetrahedra, corners with ten equivalent OPr4 tetrahedra, edges with three equivalent OPr4 tetrahedra, and edges with three equivalent FPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Work updates for Prof. Lee

I want to update my work which I have done so far in INL, including matlab GUI for neutron radiography and some fuel EBSD works.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Discovery of Dielectric Response and Forces in Sub-Nanoscale Objects (Final Technical Report)

This is the final technical report for DOE Award DE-SC0005132 entitled “Discovery of Dielectric Response and Forces in Sub-Nanoscale Objects.” This award originated on August 15, 2010 with Principle Investigator Prof. Phil Batson of Rutgers, The State University of New Jersey. Prof. Batson transitioned to Professor Emeritus status on January 31, 2023. At that time PI status was transferred to Prof. Robert Bartynski of the Department of Physics and Astronomy at Rutgers, The State University of New Jersey, and Director of the Rutgers Laboratory for Surface Modification. The central theme of the research performed under this award is develop and refine a NION aberration-corrected Scanning Transmission Electron Microscope to attain atomic spatial resolution and sub 10meV energy resolution in electron energy loss spectroscopy (EELS) performed on the transmitted electron beam. These capabilities allow examination of the excitation properties (primarily plasmonic and vibrational [ie., phonons] of nanoscale objects when excited with a highly-localized (~ Angstrom-scale) high energy (~ 60 keV) electron beam. Direct excitations (i.e., the response to electrons impinging directly on the sample) as well as excitations in response to the dynamic electric (and magnetic!) fields of an aloof electron beam (i.e., a beam that is close to but displaced from the target) have been studied. Our experimental work has benefited greatly from close collaborations with theoretical colleagues, but at Rutgers and from around the world, providing a much more complete understanding of the observed phenomena and suggesting avenues for further study and practical applications. This report summarizes the technical and scientific achievements accomplished during the entire award period. More extensive details are available in the Progress Reports that have already been filed with the Department of Energy. The report is divided into six sections. The first four sections focus on exploring, developing and understanding several unique capabilities and phenomena discovered and accessible owing to the high spatial- and energy-resolution we have been able to achieve. The latter two sections focus on applications of the STEM’s novel capabilities to study atomic- and nanometer-scale properties of solids, as well as broader applications to advanced and bio-materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Tribute to José N. Onuchic

This Festschrift Virtual Special Issue in The Journal of Physical Chemistry B is dedicated to the scientific contributions of Prof. José Nelson Onuchic. It serves as a celebration of his years of service, mentorship, and leadership to the biological physics, theoretical chemistry, and computational biology communities. This collection of more than 60 articles has been compiled from an extensive network of scientists that have, in distinct ways, been impacted by the scientific legacy of Prof. Onuchic. It is a written testament to how his work has influenced many areas related to the physics and chemistry of biological systems. In conclusion, this Festschrift provides a good sample of the areas in that Professor Onuchic has had a direct impact via collaboration, mentorship, and scientific dissemination of his research.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

The effect of longer-range waviness on X-ray reflectivity measurements

A model for calculating the X-ray reflectivity (XRR) of surfaces to extract both roughness and waviness features is presented. Expressions of reflectivity intensity are derived as a function of root-mean-square (RMS) roughness σ, RMS waviness σ L , and the cut-off frequency between the features ω 0 . Experiments were conducted at the Advanced Light Source at Lawrence Berkeley National Laboratory, beamline 8.3.2, on BK7 glass manufactured with a multi-step polishing process to validate the model, and were compared with atomic force microscopy (AFM), Fizeau interferometry and surface profilometry measurements. Here, the parameter results and their deviations for XRR measurements were σ = 2.9 ± 0.2 nm and σ L = 14.6 ± 0.5 nm with a wavelength cut-off of 1/(18 ± 2) µm –1 , while the results from the AFM, Fizeau and profilometry measurements were σ AFM = 3.4 ± 0.4 nm, σ L,Fizeau = 21.6 nm, σ prof = 4.0 ± 0.1 nm, and σ L,prof = 21.4 ± 0.1 nm with cut-offs for the profilometry and Fizeau measurements limited to frequencies of (1/16) µm –1 to (1/4) mm –1 .

42 ENGINEERING↗
DOE OSTI2020

Efficacy and Delivery of Novel FAST Agents for Coronaviruses

We proposed to test and develop advanced delivery for novel agents from our collaborators Facile Accelerated Specific Therapeutics (FAST) platform to reduce coronavirus replication. Sachi Bioworks Inc., Prof. Anushree Chatterjee, and Prof. Prashant Nagpal at the University of Colorado Boulder have developed a bioinformatics and synthesis pipeline to produce sequence specific theranostic agents (agents that can be therapies and/or diagnostics) that are inherently transported into the cytoplasm of mammalian host cells and sequence-specifically interfere in nucleic acid replication. The agent comprises a small nanoparticle (2-5 nm) chosen for ideal cellular transport and/or imaging conjugated to a short, synthetic DNA analog oligomer designed for binding to one or more target viral sequences. The sequence specific binding of the FAST agent to its target prevents nucleic acid replication due to its high affinity binding. While the small nanoparticle facilitates delivery in vitro, we plan to package the FAST agents into a larger nanoparticle (80-300 nm) for future in vivo delivery applications. Our team at Sandia has expertise encapsulating biomolecules including protein, DNA, and RNA into solid lipid nanoparticles (LNP) and lipid coated mesoporous silica nanoparticles (LC-MSN) and shown successful delivery in mouse models to multiple tissues. Our team focused on formulation parameters for FAST agents into lipid nanoparticles (LNP) and lipid coated mesoporous silica nanoparticles (LC-MSN) for enhanced delivery and/or efficacy and in vivo translation. We used lipid formulas that have been shown in literature to facility in vitro and more importantly, in vivo delivery. In our work discussed below, we successfully demonstrate loading and release of FAST agents on silica core and stable LC-MSN in a reasonable size range for in vivo testing.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Studies of surface adsorbate electronic structure and femtochemistry at the fundamental length and time scales. Final report

The electronic structure and ultrafast (10-15 s-femtosecond timescale) electron dynamics were investigated for clean and atom/molecule covered metal surfaces. The studies were performed by scanning tunneling microscopy (STM) to measure the structure of adsorbed atoms and molecules on metal surfaces, and to investigate their electronic properties. The electronic structure of the observed molecular networks was calculated by electronic structure theory in collaboration with Prof. Jin Zhao, who is a long-time collaborator, a Professor at the University of Science and Technology of China, and holds an Adjunct Professorship at the University of Pittsburgh. We also investigated the electronic properties of C60 molecules when they are templated by corrugated black phosphorous surfaces. We found unexpected charge delocalization that is enabled by the templating. This research was done in collaboration with Professor Min Feng at the Wuhan University, and who also holds an Adjunct Professorship at the University of Pittsburgh. Moreover, the electronic structure and electron dynamics in metal surfaces were investigated by time-resolved photoemission electron spectroscopy. The focus of ultrafast spectroscopy has been on the plasmonic response of silver surfaces. One direction has been to develop multidimensional (energy, momentum, and time) photoelectron spectroscopy of the coherent response of solid surfaces. This method was applied to study the collective electron excitations known generally as plasmons, which screen optical fields from penetration into metals. Although this collective response has been known for more than 60 years and is used extensively to deposit optical energy into metals, how this happens is poorly known. We investigated the plasmonic response of silver at the point where the dielectric response passes through zero and bulk plasmon is excited by light. We discovered that the plasmon excitation decays by exciting electrons from the Fermi level of a metal, which is contrary to what is believed in the plasmonic science community. This research has been performed in collaboration with Dr. Marcel Reutzel, who was a postdoctoral fellow working on this research at the University of Pittsburgh, and now has a faculty position at the University of Göttingen in Germany. Prof. Branko Gumhalter from the Institute of Physics in Zagreb contributed on the theory of plasmonic decay processes. Furthermore, we investigated the Floquet engineering of electronic bands in metals leading to multiphoton photoemission and above threshold photoemission. Finally, we demonstrated that it is possible to change the electronic structure of metals by application of optical fields. Our studies indicated that this happens on subfemtosecond time scale and could potentially be used in ultrafast information processing and quantum computation. Related document information

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Virginia Tech Center for Neutrino Physics HEP Umbrella. Final report

This DOE-supported project of Virginia Tech's Center for Neutrino Physics (VT-CNP), funded for a two-year period from July 1, 2017 through April 30, 2019. Supported the efforts our group in the Intensity Frontier, Theory programs. The Intensity Frontier program Prof. Link and his group included continued efforts on the Daya Bay Reactor Neutrino Experiment, starting of a new effort with the COHERENT collaboration studying coherent elastic neutrino scattering at the Oak Ridge National Laboratory's Spallation Neutrino Source, and an advanced reactor neutrino detector development effort known as CHANDLER, which was only partially supported by this grant. In the theory/phenomenology program of Profs. Huber and Horiuchi and their groups pursued independent (but interconnected) research activities including astrophysical searches for particle dark matter with a focus on combining gamma rays with multiple probes, supernova neutrinos, neutrino phenomenology with an emphasis on physics beyond three flavor oscillation, and further development of the GLoBES neutrino oscillation sensitivity tool kit. This group has strong synergy between its efforts in neutrino phenomenology and neutrino-related experimental research, which is the intellectual foundation for the Center for Neutrino Physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Rapid charging made practical in graphite-based lithium batteries: surface-acoustic wave turbulent electrolyte mixing to overcome diffusion limited charging rates [Final Report]

One of the key limits in rapidly recharging a lithium-ion battery is the depletion of lithium ions within the electrolyte adjacent the anode during charging and long diffusion time to overcome this depletion. It also causes dendrite formation, inefficient use of the lithium, and battery degradation over many charge-discharge cycles. Because the liquid electrolyte remains quiescent and unmixed, this depletion layer’s depth rapidly grows to match the anode-cathode separation distance at even modest charge rates. The solution proposed by PI Prof. James Friend and Co-PI Prof. Ping Liu, both from the University of California, San Diego, is to mix the electrolyte and minimize the Li+ ion concentration gradient during charging. Even in the presence of the separator, the charging rate could then be significantly increased. They propose to accomplish this using surface acoustic wave (SAW)-driven acoustic streaming, a technique employing 10-mW fingernail-sized solid-state devices from the telecommunications industry to drive turbulent mixing to submicron length scales in a manner completely compatible with the typical 20700 and 18650 cells used in electric vehicles. 0.1. Turbulent acoustic streaming mixes the electrolyte during charging—even with separator Our proposed 100-MHz SAW device used to recirculate the electrolyte is compatible with lithium- ion battery electrochemistry, as it is made in our lab of single-crystal lithium niobate. Their solution is straightforward to drive from a DC power source alongside the signal provided during battery charging. The device is only needed during charging and does not consume power dur- ing battery discharge. Uniquely, SAW generates extreme accelerations of over 1 billion meters per second squared in the fluid, driving turbulent mixing from centimeter to submicron length scales, even through the porous separator materials that tend to be used in batteries, all while avoiding interfering with the anode’s solid electrolyte interphase layer that forms during use. By employing novel fluid mechanics, the investigators are proposing a new direction for battery research away from direct use of materials science and electrochemistry. The chemistry agnostic solution may be employed in any battery chemistry that makes use of liquid electrolytes, providing a broader transformative benefit to the battery research community. They are to produce a series of prismatic and 20700-cell sized 2 Ah batteries capable of being charged and discharged at least 500 times without more than 20% loss in battery capacity, and to provide analysis tools useful to the battery research and development community for adopting this approach for other battery chemistries and configurations.

25 ENERGY STORAGE↗
DOE OSTI2022

International ACM Symposium on High Performance Parallel and Distributed Computing Conference for 2017, 2018, 2019, and 2020

The 28th ACM HPDC Conference was held in Phoenix, Arizona, June 24 and 28, 2019 (hpdc.org/2019), that was colocated with ACM FCRC 2019 (fcrc.acm.org). During the conference, Prof. Geoffrey Fox, Indiana University, was given the HPDC Achievement Award for 2019. Prof gave a keynote speech entitled “Perspectives on High-Performance Computing in a Big Data World. In addition, to the keynote speakers from HPDC and FCRC conferences, the conference organized successfully five workshops and one Ph.D. forum. The ACM FCRC had a total of 2700 attendees, and HPDC had a total of 120 attendees that included 32 students. We have used the DOE sponsorship to support the conference proceedings that acknowledge the DoE support and partially supported the travel to the HPDC PC meeting, Keynote speaker accommodation, best papers, presentation and poster award.

42 ENGINEERING↗
DOE OSTI2023

Amorphous Metal Ribbon (AMR) and Metal Amorphous Nanocomposite (MANC) Materials Enabled High Power Density Vehicle Motor Applications (Final Technical Report)

A collaborative team from Carnegie Mellon Univ. (CMU), North Carolina State Univ. (NCSU) and Metglas, South Carolina have studied new high speed motors (HSMs) with high-power density for traction motor applications. These are enabled by hybrid designs, including Flux Switching with Permanent Magnets (FSWPM) motors, exploiting permanent magnets without heavy rare earths (RE-lean) and high induction/high resistivity soft magnetic materials that allow for high switching frequencies needed to increase power densities. Team members include Michael E. McHenry, Prof. Materials Science & Eng., CMU, with > 30 years experience in magnetic materials development; Subashish Bhattacharya, Prof. Electrical Eng. and Freedom Center Director at NCSU with > 30 years experience in development of power electronic components and systems and Eric Theisen, Director of Research at Metglas, the only US located supplier of AMR and MANC materials. The team offers novel axial motor architectures exploiting soft magnetic materials (SMMs) that switch with low loss at high frequencies and heavy rare earth free permanent magnets that address materials criticality issues, supply chain risks, and high costs for traction motors. Axial-flux permanent magnet motors (APFM), offer efficiency improvements reducing rotor losses and also significantly higher power density. Axial-flux construction requires less core material, high torque-to-weight ratio. Since AFPM machines have thin magnets, they are smaller than radial flux motors making them attractive in space-limited applications. Noise and vibration are less and planar air gaps are easily adjusted. Flexibility in air-gap direction allows many topologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-scale Dynamics of Kinetic Turbulence in Weakly Collisional, High-Beta Plasmas (Final Report for DOE Grant DE-SC0019046)

This grant was a collaborative grant between Prof Matt Kunz (Princeton) and Prof. Eliot Quataert. Quataert was initially a faculty member at UC Berkeley when the grant was funded but moved to Princeton during the timeframe of this grant. Over the course of this grant we made major progress on understanding turbulence and multi-scale dynamics in weakly collisional high-beta plasmas. The most important contributions included: We developed one of the most compelling theoretical explanations for a decades-old puzzle at the heart of our understanding of the origin of the solar wind. The puzzle is that many of the observations of ion temperatures and distribution functions in the solar wind are consistent with cyclotron resonant heating. However, theoretical models of MHD turbulence in the solar wind show that most of the turbulent energy remains at low frequencies below the cyclotron frequency. In Squire et al. (2022), we showed, however, that in imbalanced turbulence (in which there is an asymmetry in the Alfven-wave flux in opposite directions along the magnetic field), which is the norm in the fast solar wind, the turbulent energy reaches a ‘bottleneck’ near the ion Larmor radius, and the amplitude and characteristic frequency of the fluctuations grow until the cyclotron frequency is reached.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Theoretical Study of the Single Electron Optical Stochastic Cooling Experiment at the IOTA Facility (Final Technical Report)

The objectives of this proposal were to explore fundamental aspects of radiation from individual and small groups of electrons in the optical stochastic cooling experiment conducted at Fermi National Laboratory's IOTA facility. Professor Swapan Chattopadhyay collaborated directly with the IOTA team on their initial experimental endeavors. Concurrently, a team from Berkeley, including Prof. Wurtele, Dr. Charman, and Dr. Greggory Penn from LBNL, and Prof. Chattapadhyay, pursued a theoretical exploration to identify potential subsequent experiments for IOTA. A wide range of possible experiments were considered, but they do not allow for tests for new quantum mechanical phenomena at the precision level of the current IOTA apparatus. However, the experimentally observed optical stochastic cooling of a single electron in IOTA validated the relevance of the classical electromagnetic field nature of the continuous electron-radiation interaction (as opposed to discrete instantaneous photon emissions and associated 'classical particle trajectory jumps') responsible for cooling and pointed towards innovative methods of experimental techniques to measure 'turn-by-turn' field correlations. Such measurements have the promise of bridging the transition from classical fields building up to discrete quantum transitions and enhance proper theoretical understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Student Support for the “Frontiers in Attosecond & Ultrafast X-ray Science” School

The new millennium witnessed two revolutionary breakthroughs in ultrafast x-ray science: table-top XUV sources based on high harmonic generation in gases ushered in the attosecond era while facility-based x-ray free-electron lasers opened the path for intense, femtosecond hard x-rays. This award requested scholarship funds for a 2019 and 2023 School whose prime objective was the training of young scientists in these emerging complementary areas both relevant to DOE BES mission. The school entitled the “Frontiers of Attosecond and Ultrafast X-ray Science (FAXS)” (http://www.erice-attosecond.it/) was the second and fourth in a series, which began in 2017. The two Schools were held during March 10-16, 2019 and March 26-31, 2023 at the Ettore Majorana Foundation and Centre for Scientific Culture (http://www.ccsem.infn.it/) in Erice, Sicily. The DOE funds supported the registration fee for young scientists (graduate students and postdocs) from US institutions. The registration fees included School participation, lodging and meals over the duration of the School. Note, the third addition of the School was held in 2022 as a virtual event due to the pandemic, DOE funds were not necessary for this event. The FAXS School is a course of the 62th and 63rd International School of Quantum Electronics under the directorship of Prof. Diederik Wiersma (University of Florence). The Directors for the FAXS School are Louis DiMauro (The Ohio State University, USA) and Mauro Nisoli (Politecnico di Milano, Italy). The FAXS School program consisted of approximately 10 lectures by leading experts in attosecond and x-ray science (see attached list). Most lecturers delivered a series of three 1-hour lectures. The lecturers were required to spend the full 5 days at the school so to promote interaction with the students. The Erice Majorana Center venue accommodated ~75 young scientists. The registration fee covered the cost of participating in the school, lodging and meals for the entire duration of the school. The schedule consisted of lectures every morning and afternoon except for one afternoon that was reserved for an archaeological excursion. Every evening had a student/postdoc poster session and social gatherings at the Majorana Center to encourage further interaction of all participants and lecturers. The two FAXS Schools attracted an international group of young scientists. The DOE funds supported the registration fee for 11 students/postdocs from US institutions (5 supported in 2019 and 6 supported in 2023). The management of the DOE fellowships were administered through the Research Foundation of The Ohio State University. FAXS scholarships for European students/postdocs were provided by European funding sources administered by co-Director, Prof. Nisoli. All students/postdocs were encouraged to present a poster. Travel expenses to the FAXS School were the responsibility of the student/postdoc home institution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

The International Conference on Surface Plasmon Photonics 10

The International Conference on Surface Plasmon Photonics (SPP Conference) is widely regarded as the premier global conference in nanoscale photonics. The SPP10 meeting was held in the United States for the first time, at Rice University in Houston, Texas, on May 21-26, 2023. This conference was an outstanding venue for communicating research breakthroughs and accomplishments in the represented fields, as well as for visibility, networking, and recruiting, for students, postdoctoral fellows, and faculty throughout the US and the world as they attended this conference. The SPP10 conference hosted sessions on fundamental science, innovations, and applications in modern photonics with high potential for commercialization. Plenary sessions, invited talks from leading scientists in the field, and contributed talks from the larger photonics community on highly multidisciplinary topics of Quantum Plasmonics and Photonics; Energy Harvesting and Plasmonic Chemistry; Active Photonics and Devices; Ultrafast and Nonlinear Phenomena; and Machine Learning/Artificial Intelligence. The meeting schedule includes 3 plenary speakers, 31 Invited talks and 58 contributed talks. There were three well attended poster sessions which included lively discussions. Lunch time in the University Colleges allowed unstructured time for additional networking and discussions. The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. The co-chairs of the conference were Prof. Naomi Halas and Prof. Peter Nordlander. The grant from DoE supported student’s and early career scientist’s registration and housing on campus.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

FAIR Framework for Physics-Inspired AI in High Energy Physics (Final Technical Report)

The main deliverable of this proposal was to publish data from high energy physics experiments in a FAIR format so that non-specialists could develop machine learning technologies using our data. The Minnesota team of Profs. Cushman, Furmanski and Rusack, from the high energy experiments CDMS, Micro-Boone and CMS, respectively, and Prof J. Sun from Computer Science worked to organize the data, to provide code to access the data, and where relevant provide documentation describing the data. The FAIR4HEP collaboration was formed with groups from UC San Diego, MIT, and the University of Illinois, with the principal investigator was Dr. Huerta. Collectively we collaborated on the publication of datasets from the LHC experiments. Members of the Minnesota group contributed to the common papers published by the collaboration

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗