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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Theoretical perspective on phase stability and polarization switching in ferroelectric hafnia

Fluorite-based ferroelectric materials are revolutionizing the application space of polar semiconductors. These materials leverage robust polarization of extremely thin films, compatibility with the silicon chip processing, and decades of manufacturing experience to enable a new generation of ferroelectric memory devices. As a new paradigm for ferroelectrics, understanding of phase transitions and the switching mechanism in fluorites is essential both for advancing applications and for fundamental science. In this article, we outline the recent progress that has been made to understand the relative phase stability, phase transition and order parameter coupling, ferroelectric switching through unique nucleation and growth processes, and how defects affect these phases and processes. The main challenges, opportunities, and next steps for leveraging these materials for next-generation devices are reviewed.

Condensed Matter Physics↗
DOE OSTI2021

IOTA Run 2 Beam Dynamics Studies in Nonlinear Integrable Systems

Nonlinear integrable optics is a promising design approach for suppressing fast collective instabilities. To study it experimentally, a new storage ring, the Integrable Optics Test Accelerator (IOTA), was built at Fermilab. IOTA has recently completed its second scientific run, incorporating many hardware and instrumentation improvements. This report presents the results of the two integrable optics experiments - the quasi-integrable Henon-Heiles octupole system and the fully integrable Danilov-Nagaitsev system. We demonstrate tune spread and dynamic aperture in agreement with tracking simulations, and a stable crossing of the integer resonance. Based on recovered single-particle phase space dynamics, we show improved invariant jitter consistent with intended effective Hamiltonian. We conclude by outlining future plans and efforts towards proton studies and larger designs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

DESIGNING THE SPREADERS AND SPLITTERS FOR THE FFA@CEBAF ENERGY UPGRADE

A degrader device is being built at the CEBAF injector to degrade the electron beam phase space for machine acceptance studies. The electron beam is degraded through multiple scattering in a thin target before further transport in the injector beamline for injection into CEBAF. The degraded electron beam will approximate phase space distributions expected from a bremsstrahlung-based polarized positron source as in the PEPPo method. The effort is in broader support of the Ce+BAF positron capability that is currently under study. Two options for the degrader device are considered, and simulation results are presented.

Sy, A.↗
DOE OSTI2023

Solving 3d gravity with Virasoro TQFT

We propose a precise reformulation of 3d quantum gravity with negative cosmological constant in terms of a topological quantum field theory based on the quantization of the Teichmüller space of Riemann surfaces that we refer to as “Virasoro TQFT”. This TQFT is similar, but importantly not equivalent, to SL(2, \mathbb{R} ℝ ) Chern-Simons theory. This sharpens the folklore that 3d gravity is related to SL(2, \mathbb{R} ℝ ) Chern-Simons theory into a precise correspondence, and resolves some well-known issues with this lore at the quantum level. Our proposal is computationally very useful and provides a powerful tool for the further study of 3d gravity. In particular, we explain how together with standard TQFT surgery techniques this leads to a fully algorithmic procedure for the computation of the gravity partition function on a fixed topology exactly in the central charge. Mathematically, the relation leads to many nontrivial conjectures for hyperbolic 3-manifolds, Virasoro conformal blocks and crossing kernels.

Collier, Scott↗
DOE OSTI2021

Estimating the Adequacy of a Multi-Objective Optimization

Multi-objective optimization methods can be criticized for lacking a statistically valid measure of the quality and representativeness of a solution. This stance is especially relevant to metaheuristic optimization approaches but can also apply to other methods that typically might only report a small representative subset of a Pareto frontier. Here we present a method to address this deficiency based on random sampling of a solution space to determine, with a specified level of confidence, the fraction of the solution space that is surpassed by an optimization. The Superiority of Multi-Objective Optimization to Random Sampling, or SMORS method, can evaluate quality and representativeness using dominance or other measures, e.g., a spacing measure for high-dimensional spaces. SMORS has been tested in a combinatorial optimization context using a genetic algorithm but could be useful for other optimization methods.

42 ENGINEERING↗
DOE OSTI2022

Wide Bandgap Semiconductors for Extreme Temperature and Radiation Environments

With their greater voltage breakdowns, higher current limitations, and faster switching speeds, wide bandgap semiconductors are increasing in market application over the traditionally dominant silicon devices. Silicon carbide semiconductors have been increasing the efficiency and reducing the footprint of modern power electronics, and the increased electron mobility of gallium nitride semiconductors have been increasing the switching frequencies of radio frequency circuits. In extreme temperature (>225°C) applications and high radiation environments such as low earth orbit, deep space, and terrestrial nuclear reactors, silicon-based semiconductors degrade rapidly. Wide bandgap semiconductors are poised to disrupt the market for sensing, instrumentation, and communication circuitry in these hazardous environments by increasing the lifetime, safety, and reliability. This report outlines the advantages of using wide bandgap semiconductor materials in extreme temperature and radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

LGAD-in-CMOS Design Studies

We describe a process flow for a CMOS sensor with intrinsic gain. The design is based on a base wafer which is prepared with closely spaced buried n and p doping layers that form an amplifying high field gain region when the device is biased. A deep n-well forms the collecting electrode. The buried n layer serves to moderate the internal field so that the CMOS transistors within the n-well remain within their operating region.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Hybrid Quantum-Classical Eigensolver without Variation or Parametric Gates

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here, we present a process for obtaining the eigenenergy spectrum of electronic quantum systems. This is achieved by projecting the Hamiltonian of a quantum system onto a limited effective Hilbert space specified by a set of computational bases. From this projection, an effective Hamiltonian is obtained. Furthermore, a process for preparing short depth quantum circuits to measure the corresponding diagonal and off-diagonal terms of the effective Hamiltonian is given, whereby quantum entanglement and ancilla qubits are used. The effective Hamiltonian is then diagonalized on a classical computer using numerical algorithms to obtain the eigenvalues. The use case of this approach is demonstrated for ground state and excited states of BeH2 and LiH molecules, and the density of states, which agrees well with exact solutions. Additionally, hardware demonstration is presented using IBM quantum devices for H2 molecule.

Jouzdani, Pejman (ORCID:0000000256470381)↗
DOE OSTI2022

Chiral Magnetic Josephson Junction as a Base for Low-Noise Superconducting Qubits

The lack of space inversion symmetry endows non-centrosymmetric superconducting materials with various interesting parity-breaking phenomena, including the anomalous Josephson effect. Our paper considers a Josephson junction of two non-centrosymmetric superconductors connected by a uniaxial ferromagnet. We show that this “Chiral Magnetic Josephson junction” (CMJ junction) exhibits a direct analog of the Chiral Magnetic Effect, which has already been observed in Weyl and Dirac semimetals. We suggest that the CMJ can serve as an element of a qubit with a Hamiltonian tunable by the ferromagnet’s magnetization. The CMJ junction avoids using an offset magnetic flux in inductively shunted qubits, thus enabling a simpler and more robust architecture. Furthermore, when the uniaxial ferromagnet’s easy axis is directed across the junction, the resulting “chiral magnetic qubit” provides robust protection from the noise caused by magnetization fluctuations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Assessment of Nuclear Data Needs for Advanced Reactor Demonstrations: Application to the Molten Chloride Reactor Experiment (MCRE)

A number of advanced reactor concepts are planned for near-term demonstrations including microreactors, larger demonstrations and space nuclear systems. These reactor concepts are based on a wide variety of reactor technologies, including sodium, gas, and salt cooling. An overlooked area in the development and ultimate startup of these reactors is addressing nuclear data needs that allow confident prediction of the criticality, safety requirements, and operation of the reactors. In this paper we try to address the problem of assessing nuclear data needs and possible remedies to reduce the existing uncertainties for advanced nuclear reactors. A methodology for defining these needs is described. The case of the Molten Chloride Reactor Experiment (MCRE) has been considered and the related investigation highlights the specific needs for reducing uncertainty on the 235U capture and 35Cl (n,p) reactions. Integral experiments relatively inexpensive are indicated as possible solution for significantly reduce the current associated uncertainties.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Assessment of nuclear data needs for advanced reactor demonstrations: application to the molten chloride reactor experiment (MCRE)

A number of advanced reactor concepts are planned for near-term demonstrations including micro-reactors, larger demonstrations and space nuclear systems. These reactor concepts are based on a wide variety of reactor technologies, including sodium, gas, and salt cooling. An overlooked area in the development and ultimate startup of these reactors is addressing nuclear data needs that allow confident prediction of the criticality, safety requirements, and operation of the reactors. In this paper we try to address the problem of assessing nuclear data needs and possible remedies to reduce the existing uncertainties for advanced nuclear reactors. A methodology for defining these needs is described. The case of the Molten Chloride Reactor Experiment (MCRE) has been considered and the related investigation highlights the specific needs for reducing uncertainty on the {sup 235}U capture and {sup 35}Cl (n,p) reactions. Relatively inexpensive integral experiments are indicated as possible solutions for significantly reducing the current associated uncertainties. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

A Research Testbed for Experimental Connectivity and Automation in Cars

Cyber-physical systems (CPS) are engineered systems in which the computational components and physical components of the system are interdependent and deeply linked. Discovery and development of CPS technologies are changing the way people interact with engineered systems. To demonstrate this point, consider the Global Positioning System (GPS) which revolutionized personal mobility. Its research origins stem from the US Department of Defense in 1973 for military use. By 2000 limitations on civilian consumption of GPS service were lifted. Immediately, personal GPS products were shipped for in-car navigation systems. Soon after, GPS receivers were embedded into mobile phones with the introduction of the Nokia N95 and Apple iPhone for maps and turn-by-turn navigation. With the benefit of hindsight we can see that GPS has become a cornerstone technology of our daily life. Satellite-based navigation has gone from a radical space technology, to a matter of uninteresting availability; it is the typical way that people navigate through roadways now. The combination of the satellite infrastructure, the integration of receiver modules, and powerful maps applications has significantly changed mobility in the 21st century.

42 ENGINEERING↗
DOE OSTI2020

Vulnerability Assessments for Power-Electronics-Based Smart Grids

Here, in this paper, a novel method is proposed to evaluate the cyber security of the power-electronics-based smart grids (PESG). The proposed method considers the performance and stability of both the individual inverter and the grid. To our knowledge, this is a first attempt to evaluate the performance and stability of PESG due to cyber attacks. We first develop impedance-based modeling and cyber-attack modeling for PESG. Then we propose innovative two security criteria to evaluate the security of PESG, including stability-based and metrics-based. For metrics-based criteria, we propose to use both total harmonic distortion (THD) and space phasor model (SPM) to evaluate the inverter performance. The simulation results with a two-inverter-based power grid verify the validity and accuracy of the proposed security evaluation method. Results have shown that the performance and stability of PESG are significantly affected by cyber attacks, and thus there is indeed a need to further study cyber security issues of PESG.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Fast and Invertible Simplicial Approximation of Magnetic‐Following Interpolation for Visualizing Fusion Plasma Simulation Data

We introduce a fast and invertible approximation for fusion plasma simulation data represented as 2D planar meshes with connectivities approximating magnetic field lines along the toroidal dimension in deformed 3D toroidal spaces. Scientific variables (e.g., density and temperature) in these fusion data are interpolated following a complex magnetic-field-line-following scheme in the toroidal space represented by a cylindrical coordinate system. This deformation in the 3D space poses challenges for root-finding and interpolation. To this end, we propose a novel paradigm for visualizing and analyzing such data based on a newly developed algorithm for constructing a 3D simplicial mesh within the deformed 3D space. Our algorithm generates a tetrahedral mesh that connects the 2D meshes using tetrahedra while adhering to the constraints on node connectivities imposed by the magnetic field-line scheme. Specifically, we first divide the space into smaller partitions to reduce complexity based on the input geometries and constraints on connectivities. Then, we independently search for a feasible tetrahedralization of each partition, considering nonconvexity. We demonstrate our method with two X-Point Gyrokinetic Code (XGC) simulation datasets on the International Thermonuclear Experimental Reactor (ITER) and Wendelstein 7-X (W7-X), and use an ocean simulation dataset to substantiate broader applicability of our method. An open source implementation of our algorithm is available at https://github.com/rcrcarissa/DeformedSpaceTet.

Ren, Congrong [The Ohio State Univ., Columbus, OH ↗
DOE OSTI2026

Computational methods in solution-based plastics purification

Plastic waste can be recycled into resins with near-virgin properties by solution-based purification processes that selectively dissolve polymers, remove contaminants, or detach printing residues. Here, in this review, we examine computational methods for predicting the behavior governing solution-based plastic purification, motivated by the vast polymer–solvent–contaminant compositional space. We discuss thermodynamic and machine learning methods for predicting polymer–solvent and polymer–contaminant interaction and review physics-based molecular dynamics simulations that resolve molecular-scale phenomena within polymer matrices inaccessible to screening methods. We highlight how these methods have informed experimental design for dissolution-based recycling and solvent-based contaminant removal. Finally, we discuss the prospective role of agentic AI in integrating these computational tools with real-time sorting data to adapt purification conditions to the compositional variability of real post-consumer feedstocks. This review charts a path toward computationally guided solution-based purification workflows that can respond to the complexity inherent in plastic waste streams.

Altamimi, Ali [Univ. of Wisconsin, Madison, WI (Un↗
DOE OSTI2026

Data Associated with "Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass"

This is data associated with the publication " Identifying Suitable Front Contacts for High-Efficiency Cd(Se,Te) Solar Cells on Space-Qualified Cover Glass " by Aesha P. Patel, Ryan Muzzio, Matthew R. Young, Robert Morrissey, Suresh Chaulagain, B. Edward Sartor, Prabodika N. Kaluarachchi, Christian Velez, Joshua A. Brown, Joel N. Duenow, Stephen Glynn, Michael J. Heben, Zhaoning Song, Nikolas J. Podraza, Adam B. Phillips, Randy J. Ellingson, Matthew O. Reese. All data associated with each figure in the manuscript and supplementary should be available in this dataset. A readme file is also included to provide some guidance. Abstract: Deployment of photovoltaics in space requires devices that combine high-efficiency, low areal mass, and resilience to harsh environments. Historically, high-efficiency multijunction III–V materials have dominated space power systems; however, their high cost and limited manufacturing throughput motivate the exploration of scalable alternatives. While CdTe-based thin-film photovoltaics offer an attractive option, their performance on non-conventional substrates can suffer from front-contact instability under higher-temperature processing. Here, the role of front-contact chemistry in limiting cell performance is investigated using CdTe-based devices fabricated on 150 μm thick Ceria-doped space-qualified 0214 Corning glass. A matrix of four transparent conducting oxides (TCOs: CTO, AZO, ITO, IZO) combined with two n-type emitters (MZO, IGO) reveals chemical stability at the front interface—rather than absorber composition alone—governs recombination losses, voltage deficits, and device reproducibility. Chemically stable front-contact combinations suppress elemental diffusion and interfacial degradation, resulting in significantly improved carrier lifetimes and junction quality. These insights are validated through record-certified Cd(Se,Te) cell efficiencies of 18.4% under AM1.5G and 16.2% under AM0 illumination on ultra-thin glass. Beyond CdTe, this work provides a general framework for the rational selection of TCO/emitter interfaces in superstrate thin-film photovoltaics, including emerging technologies like metal halide perovskites, while enabling high-efficiency, lightweight photovoltaics for space applications.

14 SOLAR ENERGY↗
DOE OSTI2023

Astrovirology: how viruses enhance our understanding of life in the Universe

Abstract Viruses are the most numerically abundant biological entities on Earth. As ubiquitous replicators of molecular information and agents of community change, viruses have potent effects on the life on Earth, and may play a critical role in human spaceflight, for life-detection missions to other planetary bodies and planetary protection. However, major knowledge gaps constrain our understanding of the Earth's virosphere: (1) the role viruses play in biogeochemical cycles, (2) the origin(s) of viruses and (3) the involvement of viruses in the evolution, distribution and persistence of life. As viruses are the only replicators that span all known types of nucleic acids, an expanded experimental and theoretical toolbox built for Earth's viruses will be pivotal for detecting and understanding life on Earth and beyond. Only by filling in these knowledge and technical gaps we will obtain an inclusive assessment of how to distinguish and detect life on other planetary surfaces. Meanwhile, space exploration requires life-support systems for the needs of humans, plants and their microbial inhabitants. Viral effects on microbes and plants are essential for Earth's biosphere and human health, but virus–host interactions in spaceflight are poorly understood. Viral relationships with their hosts respond to environmental changes in complex ways which are difficult to predict by extrapolating from Earth-based proxies. These relationships should be studied in space to fully understand how spaceflight will modulate viral impacts on human health and life-support systems, including microbiomes. In this review, we address key questions that must be examined to incorporate viruses into Earth system models, life-support systems and life detection. Tackling these questions will benefit our efforts to develop planetary protection protocols and further our understanding of viruses in astrobiology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry

State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space–unitary coupled cluster (LAS–UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. Here, in this study, we compare two state preparation methods, quantum phase estimation (QPE) and direct initialization (DI), for each fragment. We test the two state preparation methods on three systems, ranging from a model system, a set of interacting hydrogen molecules, to more realistic chemical problems, like the C–C double bond breaking in transbutadiene and the spin ladder in a bimetallic system. We analyze the impact of QPE parameters, such as the number of ancilla qubits and Trotter steps, on the prepared state. We find a trade-off between the methods, where DI requires fewer resources for smaller fragments, while QPE is more efficient for larger fragments. Our resource estimates highlight the benefits of system fragmentation in state preparation for subsequent quantum chemical calculations. These findings have broad applications for preparing multireference quantum chemical wave functions on quantum circuits that can be used for realistic chemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗