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At least 1,189 records · Page 66

Novel ceramic capacitors with ultrahigh energy density and efficiency (Final Technical Report)

Antiferroelectric ceramics are a special class of material that have shown great potential as the dielectric in electrical capacitors due to their high energy- and power-density. During each charge-discharge cycle, the ceramic undergoes transformation to a ferroelectric phase and resumes its antiferroelectric phase. The hysteresis associated with the transitions leads to a mediocre energy efficiency and service lifetime of antiferroelectric capacitors and, hence, their almost absence in commercial products. Under the support of this research project, we first formulated a universal lattice-compatibility theory that included electrostatic polarization energy along with elastic energy and thermal energy to understand the origin of the hysteresis in antiferroelectric oxides. Guided by this compatibility theory, we conducted high-throughput density functional theory (DFT) calculations to assess chemical modifiers and their effect on crystal structures of 400+ PbZrO 3 -based compositions. Down-selected compositions were experimentally validated for their suppressed hysteresis and higher energy efficiency. The verified low-hysteresis compositions were then expanded to an antiferroelectric ceramic library with nearly 500 new compositions (more than 1,500 samples) using high-throughput experiments involving ceramic synthesis and property screening. The large quantity of data generated (theory and experimental) in these tasks were processed by machine-learning techniques and identified trends were fed to the next iteration. In the end, we successfully discovered four compositions with near-zero hysteresis, yielding a world-record energy efficiency of 98.2% at an energy density of 3.0 J/cm 3 . Furthermore, our antiferroelectric ceramic capacitor reaches 79.5 million charge-discharge cycles lifetime, a factor of 80 enhancement over previous antiferroelectric ceramics with large hysteresis. These research accomplishments have not only met the milestones set in the SOPO, but also led to two patent filings, three journal publications (one of them was in Advanced Materials, impact factor 29.4), and nine oral presentations at various venues. Through the course of the project, three postdocs, four Ph.D. students, and one M.S. student were trained. In short, our project established a new methodology in searching next-generation functional ceramics on the fundamental side and discovered several high-efficiency antiferroelectric compositions for capacitors on the applied side. Once fabricated into the multilayer form for commercial applications, these ceramic capacitors can potentially enable the high temperature high power density DC-link capacitors that are critical for the next generation inverters in electric vehicles. The project also significantly contributed to the nation’s workforce development in the STEM fields.

36 MATERIALS SCIENCE↗

Search for 3D topological superconductors using laser-based spectroscopy (Final Technical Report)

The three-dimensional topological superconductor (3D TSC) is a novel quantum phase of matter that is predicted to exhibit exotic thermal and electrical properties, which may serve applications ranging from precision thermal management and sensing technologies to fault-tolerant quantum information processing. Over the past decade, there has been an intensive effort to realize 1D and 2D TSCs by artificially engineering them from combinations of already existing materials. For example, coupling conventional superconductors to spin-orbit coupled 1D nanowires or to 2D topological insulator surfaces by the proximity effect provides a route to realizing 1D and 2D TSCs respectively. However no artificial engineering strategy is available for a 3D TSC. Therefore, current searches are limited to intrinsically superconducting compounds whose topological properties are difficult to predict. The overarching goal of this project was to realize and to identify 3D TSCs in bulk single crystals using novel laser-based spectroscopic techniques. One major thrust was to develop ultralow temperature and ultra-high-resolution angle-resolved photoemission spectroscopy (ARPES) to directly measure the dispersion of Majorana excitations that are predicted to exist on the surfaces of 3D TSCs. Another major thrust was to develop a rational route to realize 3D TSCs by identifying their precursor phases. It is theoretically proposed that the critical fluctuations of certain ordered electronic phases can mediate Cooper pairing in odd-parity channels and lead to topological superconductivity. Therefore, 3D TSCs may potentially emerge upon suppressing these inversion symmetry broken precursor phases to a critical point with external perturbations such as pressure, strain or even light. To test this hypothesis, we studied candidate materials using a suite of symmetry-sensitive optical probes including rotational anisotropy optical second harmonic generation (RA-SHG) and time-resolved coherent phonon spectroscopy, all operable under high-pressure and low temperature environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Commercial Zero Code Plug-In: Zero Energy and Operational Emissions Overlay for Model Energy Codes (Technical Brief)

Model energy codes (MEC) describe requirements needed to demonstrate building energy performance compliance. They can be readily adopted by states and local jurisdictions to support desirable energy efficiency investment in new buildings and major renovations. This report provides commercial building energy code language as an overlay to current MEC, which is recognized by the U.S. DOE as ASHRAE Standard 90.1 2022. The code language provides a performance-based compliance path for achieving net zero energy or net zero operational energy emissions buildings with MEC. The path requires meeting two compliance metric target values: 1) a required minimum level of efficiency and 2) a measure of zero energy or emissions. The supporting documentation illustrates the magnitude of needed efficiency improvement and the additional offsets to be achieved from renewable energy sources.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energetics and Kinetics of Syntrophic Aromatic Degradation (Final Technical Report)

This DOE Basic Energy Physical Biosciences project spanned a 28-year period and two project investigators. Numerous significant research discoveries have occurred over this time frame. Much of this work has been reported in peer-reviewed literature, with the publication of results from the last four years forthcoming. The overarching project themes have focused on probing the metabolism of syntrophic bacteria and their environments. Research supported by this project has been central to ten doctoral dissertations and one master’s thesis at the University of Oklahoma. The project has also supported numerous undergraduate research projects throughout the years. Additionally, several microbial genomes were sequenced and annotated in association with this work 12-16. Key findings and publications from this work are highlighted. More detailed results are provided for unpublished and embargoed work. A complete list of publications and research products associated with this project is at the report's end.

59 BASIC BIOLOGICAL SCIENCES↗

Enhanced Resistance Pines for Improved Renewable Biofuel and Chemical Production (Technical Report)

We completed phenotyping constitutive and inducible oleoresin flow across two seasons, constitutive resin canal number and density and wood terpene content in our ADEPT2 and CCLONES populations. We completed genetic association between 19 oleoresin phenotypes and a total of 523,192 SNP markers from ADEPT2 and 13,883 SNP markers in CCLONES using four mixed linear models. A total of 293 significant SNPs (FDR = 0.20) were identified. We used the MENTOR tool to mine mechanistic connections from a multiplex network constructed from poplar multi-omic data to construct a conceptual model for a subset of these significant SNPs. Our model contains 6 transcriptional regulators in addition to 3 monoterpene synthases. To generate more lines of evidence for these significant SNPs, we completed a time course RNAseq experiment after inducing vascular zone cells to differentiate into new resin canals with a methyl jasmonate treatment, a single nuclei RNAseq that identified differentiating resin canal epithelial cells and are completing analysis for a QTL study in a hybrid pine population. The time course identified 4634 significantly down and 1890 significantly up regulated transcripts after treatment with methyl jasmonate, an inducer of new resin canal formation in the vascular cambial meristem. To analyze this large set of differentially regulated genes, we created a predictive expression network and analyzed it with random walk restart using 6 seed genes coding for transcription factors regulating xylem differentiation in poplar. Of the top ranked 200 transcripts, 119 transcripts were significant differentially expressed supporting these transcripts as potential candidates regulating resin canal formation. Analysis of single nuclei sequencing of shoot tips that contain differentiating resin canals, identified 10 clusters. One cluster was highly enriched in transcripts coding for 9 of the enzymes in the MEP pathway 3 prenyl synthetases, and 3 monoterpene synthases strongly suggesting that this cluster represents resin canal epithelial cells. We are mining the additional transcripts to create a trajectory analysis. In summary, we have identified > 10 novel genes that are strongly supported candidates for further analysis in breeding lines and for genetic engineering over- and under- expressing lines to increase wood terpene content to improve resistance to insect and fungal pathogens while simultaneously increasing terpene supplies for renewable chemicals and biofuels.

59 BASIC BIOLOGICAL SCIENCES↗

Theranostic Radiopnictogens: 71 As, 72 As, and 119 Sb (Final Technical Report)

This project has developed new methods for the cyclotron production of medically relevant radionuclides 71 As and 119 Sb. Arsenic and antimony are chemically homologous elements (group 5A, also known as the pnictogens) that have radionuclides that are of considerable interest within nuclear medicine. Such radiopnictogens include the potentially therapeutic radionuclides 119 Sb (t 1/2 = 38 h) that decays with the emission of 24.5 low energy, high potency electrons per decay with little concomitant photon radiation and 77 As (t 1/2 = 39 h) that decays with average beta energy of 230 keV and diagnostic nuclides 71 As (t 1/2 = 65 h, 28% β+) and 72 As (t 1/2 = 26 h, 80% β+) for positron emission tomography (PET). This work has had major success developing new methods for the cyclotron production and radiochemical isolation of 71 As, supporting parallel developments for 119 Sb, and assessing the chemical similarities between these two homologous radionuclides. This project brought into collaboration two universities with complimentary skill sets, proficiencies, expertise, and facilities: the University of Wisconsin (UWisc) and the University of Missouri (Mizzou). Professors Ellison and Engle have experience in the small cyclotron production and radiochemical isolation of radionuclides, including 72 As and 119 Sb. Their recently developed metallurgic methods for fabricating cyclotron targets have great potential to expand and allow for the biomedical cyclotron production of long- lived, lower positron energy 71 As. Professors Hennkens and Jurisson have significant experience in the reactor production, radiochemical isolation, and biological functionalization of radioarsenic. Recent development of trithiol-based chelator molecules for functionalizing radioarsenic provide a platform for the investigation of the fundamental challenges of the promising low-energy-electron emitter, 119 Sb. Through their positions within their respective University’s graduate schools, the PIs and Co-Is effectively trained of graduate students and postdoctoral researchers in nuclear and radiochemistry, sub-specialties specifically identified in the Department of Energy (DOE) Office of Science Isotope Program long-range plan. Annual laboratory research visits for students between UWisc and Mizzou provided essential broad-field experience and scientific networking that is critical for maintaining their path along the training pipeline to productive careers in isotope production. This research collaboration has provided significant benefits to the DOE University Isotope Network and radionuclide-using researchers around the country.

07 ISOTOPE AND RADIATION SOURCES↗

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↗

Solid State Quantum Refrigeration Superconducting, Absorption and Measurement Based (Final Technical Report)

During this DOE grant, DE-SC0017890, in place for the past six years, all proposed research was carried out and published in peer-reviewed papers, as well as other projects that emerged during the research. In that effort the research team accomplished all proposed research, as well as many closely related research projects discovered and conceived of during the grant. These works included “Efficient Quantum Measurement Engines”, a work published in Physical Review Letters, giving a theory of quantum measurement-based engines, which uses quantum measurement as a resource. These engines are designed to efficiently convert energy from the stochastic quantum measurement process into useful work. Further publications include “Experimental Realization of a Quantum Dot Energy Harvester”, a joint theory and experimental work in collaboration with the group of Charles Smith in Cambridge, UK, as well as long time theoretical collaborators, Rafael Sánchez and Björn Sothmann. This work, featured as an Editor’s Suggestion in Physical Review Letters, realized an earlier theoretical proposal of ours, whereby two resonant tunneling quantum dots are connected to a central electronic cavity that is heated by a hot energy source. We also published “Superconducting Quantum Refrigerator: Breaking and Rejoining Cooper Pairs with Magnetic Field Cycles” a work done in collaboration with experimentalist Francesco Giazotto from ENS Pisa, Italy, which also resulted in a patent. This paper, published in Phys. Rev. Applied, advanced the concept of a cyclic fridge based on the normal/superconducting phase transition together with layered materials separated by tunnel junctions. We also completed the proposed research on a heat transistor, publishing “Thermal transistor and thermometer based on Coulomb-coupled conductors”, carried out as a collaboration between my group and theorists Splettstoesser (Lund U., Sweden), Sothmann (U. Duisburg-Essen, Germany), and Sánchez (U. Autónoma de Madrid, Spain). We carried out an analysis of a quantum coupled to a quantum point contact as a sensitive thermometer and heat transistor. We found the optimal statistical estimator for the temperature and compared it with experiments on the same type of devices. We also investigated autonomous quantum absorption refrigerators using quantum dots to cool by using a very hot thermal reservoir to drive heat between two other reservoirs. In the article “Quantifying the quantum heat contribution from a driven superconducting circuit”, we demonstrated that for a driven superconducting circuit, we showed heat flow provided by a hot source to the qubit can be switched on and off by varying external parameters, the frequency and the intensity of the driving. In the work “Stochastic thermodynamic cycles of a mesoscopic thermoelectric engine”, we reconsidered the autonomous thermoelectric heat engine in terms of underlying cycles. Rather than periodic behavior, the cycles were stochastic in nature. Nevertheless, by undertaking a graph theoretical analysis of the elementary transport processed, great quantitative and qualitative insight could be found. We also considered the quantum measurement process and showed that a quantum version of Maxwell’s demon could be related to the work extraction of a quantum system, closely related to arrow-of-time measures for quantum measurement, as described in our article “Thermodynamics of quantum measurement and Maxwell's demon's arrow of time”. This work was selected in Phys. Rev. A as an Editor’s Suggestion. A recent preprint titled “Cyclic Superconducting Quantum Refrigerators Using Guided Fluxon Propagation” accomplished an important piece of this grant: to propose a new kind of quantum refrigerator using the dynamics of fluxons in a type II superconductor. This invention envisioned a race-track type geometry where fluxons are confined. By applying a gradient of magnetic field together with electric current in a Corbino geometry, the circulating fluxons can actively cool a cold reservoir, realizing a new type of cyclic superconducting refrigerator. We also investigated the possibility of thermal control from different points of view. The application of quantum measurement to the system gives a new kind of control on the system of interest – we have pioneered this approach and shown that measurement can boost the thermal power of quantum engines as described in “Continuous measurement boosted adiabatic quantum thermal machines”. The ability to have heat flows on demand is an outstanding challenge, and we have provided new solutions to this problem in Thermal control across a chain of electronic nanocavities” for a chain of electron cavities using gating voltage control. The control methods using qubit/qubit coupling to create absorption fridges at their most fundamental level have also been developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Microwave and rf Spectroscopy of 2D Carrier Systems and Bilayers (Final Technical Report)

We performed microwave spectroscopic studies of two dimensional electron systems (2DES) exhibiting the quantum Hall effect (QHE) in GaAs/Al${_x}$Ga$_{1-x}$As heterostructures. A common theme of the proposed work is electron solids, of which the simplest is the Wigner crystal, a triangular lattice of individual carriers. The solids are stabilized by carrier-carrier interaction and occur under conditions when the kinetic energy of the system is "frozen out" by high magnetic field, $B$. One of the main reasons for microwave spectroscopic study of 2DES is that the solid phases have striking microwave or rf spectra. In the low wave vector ($q$) limit these spectra exhibit a resonance that is understood as a pinning mode, a small collective oscillation of pieces of the solid within the disorder potential. Pinning modes can be very sharp, with quality factors up to around 30, and are valuable as signatures of the electron solids, and can reveal a solid even when standard dc transport shows an insulator, an integer QHE, or even a fractional QHE The pinning mode also is sensitive to the solid properties, and can reveal transitions between solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TEAMER Technical Support for Aquantis (Modeling): Cooperative Research and Development Final Report, CRADA Number CRD-21-17763

NREL will provide numerical modelling support to Requestor by completing four successive stages of numerical modeling effort which are capable of accurate predicting the performance of the Aquantis turbine. NREL will develop a baseline OpenFAST model (a couple model of AeroDyn and ElastoDyn solver) of the Aquantis turbine, subsequently couples this model to OrcaFlex or within OpenFAST framework to preliminarily design and explore a full floating tidal turbine system in a control co-design process.

16 TIDAL AND WAVE POWER↗

Commercial Building Prototypes Based on ANSI/ASHRAE/IES Standard 90.1-2019 Appendix G PRM: Technical Support Document

The two paths for documenting compliance with ANSI/ASHRAE/IES Standard 90.1 are the prescriptive path and the performance path. Beyond code programs and rating systems (for example, USGBC-LEED ) are primarily known to use a third path – the Appendix G Performance Rating Method. An update in the 2016 edition of Standard 90.1 approved the Appendix G Performance Rating System for code compliance, extending its application and allowing for greater consistency of modeling rules for code and beyond code building energy modeling. The Appendix G PRM provides rules for the development of whole building energy models of baseline and proposed models for calculating the “performance cost index target” value using the simulated energy results of the baseline and proposed models and the building performance factors published in Table 4.2.1.1 of the Standard. This report documents (1) the methodology used for development of the baseline and proposed energy models of the Pacific Northwest National Laboratory and U.S. Department of Energy commercial building prototypes using the Appendix G Performance Rating Method; and (2) the building performance factors that were calculated using those models.

97 MATHEMATICS AND COMPUTING↗

7th World Congress on Integrated Computational Materials Engineering (ICME 2023) (Final Technical Report)

Integrated Computational Materials Engineering (ICME) has received international attention due to its potential to shorten product development time, while lowering cost and improving design and manufacturing outcomes. ICME is an approach to designing materials solutions for specific applications that use computer modeling programs to predict the behavior of materials and integrate this information into the overall materials, processing, and manufacturing design cycle. The 7th World Congress on Integrated Computational Materials Engineering (ICME 2023) was held in Orlando, Florida from May 21–25, 2023 with the goal to convene stakeholders from across all areas of modeling and simulation, experimental specialization, and design, as well as from across academia, government, and industry, to address ICME tools and techniques and their integration, as well as to examine their application in engineering. This atmosphere facilitated rich interactions between the experimentalists, modelers, and computational and design, from academia, government, and industry, to discuss ICME tools and techniques and their application in engineering.

36 MATERIALS SCIENCE↗

i2X Technical Assistance: Solar and Storage Industries Institute

This report evaluates the economic benefits of flexible interconnection by quantifying potential curtailment under different interconnection scenarios as well as their economic cost. The results are combined with estimates of capital expenditures to produce a net present value under different interconnection service decisions.

14 SOLAR ENERGY↗

Precision Computations in Strongly Coupled Conformal Field Theories (Final Technical Report)

Conformal Field Theories (CFTs) are quantum field theories that are invariant under the conformal symmetry group (which includes translations and rotations, but also local rescalings of spacetime). They are building blocks of general quantum field theories, and appear in many areas of physics, including statistical physics, condensed matter physics, particle physics, and quantum gravity. Because of their extra symmetries, the mathematical structure of CFTs is tightly constrained, and this leads to the idea of the ``conformal bootstrap," which is to use these mathematical structures to constrain, and in some cases determine, CFT observables. A new numerical implementation of the conformal bootstrap idea appeared in 2008 with the work of Rattazzi, Rychkov, Tonni, and Vichi. Their observation was that certain bootstrap constraints (conformal symmetry and unitarity) could be combined to yield a convex optimization problem that constraints CFT data. By solving this convex optimization problem on a computer, one could obtain bounds on observables like critical exponents and operator product expansion (OPE) coefficients. Over the course of this award, the PI has improved numerical bootstrap techniques by optimizing known algorithms and finding new ones for performing the required convex optimization computations. The PI has applied these techniques to compute high-precision observables in several important strongly-coupled systems. The PI has also explored both analytical and numerical bootstrap methods for constraining the space of low energy effective field theories of quantum gravity, and developed new analytical techniques for CFT and QFT more broadly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Concentrated solar thermal fuels production by electric field enhanced two step gas splitting (Final Technical Report)

Solar thermochemical CO 2 splitting (STCS) is plagued by high solar field costs due to the extraordinarily high temperatures (~1500 °C) required. In STCS, a reduction/oxidation active material, CeO 2 , is thermally reduced to CeO 2-δ generating O2 at ~1500 °C; then CeO 2-δ is re-oxidized by CO 2 to re-form CeO 2 and CO, a precursor to liquid fuels. Before this project, there were no known methods to decrease the reduction temperature while maintaining high conversion of the CO 2 to CO; thus, projected solar thermal CO costs had stagnated.

10 SYNTHETIC FUELS↗

Tribology Test Bed: NiWC3b Cermet, Chloride Salts (Technical Report)

In this project, the best material and processes that we have available now are used build a pump for validation testing and to be able to provide a quotation for a pump for the Gen3 CSP Phase 3 test facility. Enough high temperature and aged material data is collected to be able to safely design a pump with a high level of confidence of good performance. Manufacturing processes for the nano-composite material including spray coating and joining methods are investigated. These processes enable application of this novel material to pump components.

36 MATERIALS SCIENCE↗

Validation Salt Pump: NiWC3B Cermet, H230, Chloride Salts (Technical Report)

In this project, the best material and processes that we have available now are used build a pump for validation testing and to be able to provide a quotation for a pump for the Gen3 CSP Phase 3 test facility. Enough high temperature and aged material data is collected to be able to safely design a pump with a high level of confidence of good performance. Manufacturing processes for the nano-composite material including spray coating and joining methods are investigated. These processes enable application of this novel material to pump components.

36 MATERIALS SCIENCE↗

Conversion Of Coal To Li-Ion Battery Grade (Potato) Graphite (Final Technical Report)

It was previously shown that biomass could be readily transformed to Li-ion battery grade graphite with performance that is equivalent to commercial graphite. This project extended that result to lignite coal, an abundant and inexpensive resource in the United States. It was found that lignite from North Dakota (ND), following charring and exposure to near-infrared light from a laser in the presence of an iron metal catalyst, graphitizes with high yield, crystallinity and purity. Furthermore, spheroidal (“potato”) shaped graphite agglomerates can be produced from ND lignite with performance that rivals that of commercial graphite. Finally, the process was found to be potentially economical, to that extent that it may be able to disrupt the current market, if the laboratory results obtained under this project can be successfully translated to industrial scale.

01 COAL, LIGNITE, AND PEAT↗