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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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317 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Enhancing photonic systems using topology and non-Hermiticity

The broad goal of this project was to develop new analytical and numerical insights for how important photonic processes can be improved using recently discovered principles in topological and non-Hermitian physics. In particular, there are two recent discoveries that we aimed to harness to achieve this goal. First, it was discovered in condensed matter physics that crystalline symmetries can protect low-dimensional topologically protected states in lattices without the need for breaking time-reversal symmetry. These so-called ‘higher-order’ topological systems represent an important development for photonic systems, where it is very difficult to break time-reversal symmetry, and which had been previously thought necessary to realize topological phenomena. Second, the last decade has seen a significant amount of interest in phenomena which are unique to non-Hermitian systems, i.e., systems which do not conserve energy. For example, spatially patterned gain and loss can be used to realize exceptional points, which are degeneracies in a system’s spectrum where the system becomes defective, while the existence of radiative losses also enables a new route to confinement through bound states in the continuum. For such non-Hermitian phenomena, photonics again represents a critical platform, as photonic systems naturally lose light to their radiative environments, making them generally non-Hermitian, and it is also possible to incorporate additional gain or loss. Based on these broad principles, we pursued a range of projects to harness bound states in the continuum in a variety of different systems and architectures, develop real-space methods for classifying topological systems to yield better photonic design principles, and a novel Brillouin-based fiber laser for sensing strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Wave-Optics Simulation Framework of Fourier Transform Holography with XMCD

We present a wave-optics simulation framework, implemented within the SRW, for modeling FTH with XMCD contrast. The framework propagates coherent, circularly polarized X-ray wavefronts from an undulator source through the sample and optics to the detector, reconstructing real-space images from the resulting holograms. Three principal extensions are introduced: (i) incorporation of polarization-dependent refractive indices in the sample plane, enabling direct simulation of XMCD contrast, (ii) a memory-efficient wavefront-splitting propagation scheme that treats individual apertures independently and coherently combines their fields at detector, and (iii) an integrated reconstruction module that delivers holographic images within the same framework. Together, these advances establish a versatile tool for quantitative exploration of coherence, aperture geometry, and detector sampling, and for the design and interpretation of XMCD-FTH experiments at synchrotron beamlines.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Carbon-Based Quantum Information Science with Symmetry Protected Topological States (Final Report, DOE-BES award DE-SC0023105)

This research program established the scientific foundation for the rational, bottom-up design, synthesis, isolation, and investigation of symmetry-protected topological (SPT) electron spin qubits embedded in graphene nanoribbons (GNRs). The work focused on integrating atomically precise low-dimensional carbon nanostructures with emerging quantum logic architectures, providing a pathway toward scalable quantum materials for next-generation computing and sensing technologies. A central component of the program was the elucidation of fundamental relationships between real-space molecular architecture, local spin density distributions, electronic band dispersion, and energy level alignment in atomically precise GNR systems. These correlations define key operational parameters of SPT qubits and were systematically investigated to establish quantitative benchmarks against established molecular and solid-state spin qubit platforms. Attention was given to properties critical for quantum device performance, e.g. decoherence times, spectral sharpness of energy transitions, and tunable exchange interactions between spin states. The research demonstrated that these parameters can be engineered with atomic precision through scalable bottom-up synthetic strategies. Theory-guided design played a central role in identifying candidate structures hosting topologically protected spin states. Experimental validation was performed using both ensemble measurements and single-molecule characterization. In addition to advances in quantum materials synthesis, the program developed and applied spin-sensitive scanning probe microscopy techniques capable of directly probing quantum states and dynamic processes with atomic-scale spatial resolution. These capabilities enabled direct observation and characterization of quantum structures at the single-atom level. While the research activities were primarily hypothesis-driven fundamental investigations, the program adopted a comprehensive materials-by-design framework aimed at translating scientific discoveries into technological concepts compatible with scalable and intelligent manufacturing approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Microscopic Scattering Approach to In-Gap States

We develop a microscopic scattering formalism to describe Yu-Shiba-Rusinov (YSR) states due to a single Cr adatom on the Bi-terminated surface of beta Bi2Pd, by combining ab initio Wannier functions with a real-space Green's function approach in the Bogoliubov-de Gennes formalism[1]. Our framework reproduces key scanning tunneling spectroscopy features, including a single particle-hole asymmetric YSR peak and isotropic dIdV maps around the impurity. Decomposing the YSR states reveals contributions from four nearly degenerate C4v representations, with energy broadening masking their individual signatures. Spin-orbit coupling induces partial spin polarization, while the spatial asymmetry between particle and hole components arises from Cr d-Bi p hybridization. These results highlight the importance of realistic band structures and microscopic modeling for interpreting STM data for magnetic in-gap states on superconductors. Further advances examining layered 2D material surfaces, such as NbSe2, will be described[2]. For this system the superconducting properties are obtained from a full anisotropic Eliashberg calculation of the superconducting order parameter along with the charge density wave gap. Additional features associated with proposals to measure the dynamics of these individual YSR states will be presented. [1] arXiv:2507.08740 [2] arXiv:2507.11856

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A novel nonperturbative renormalization scheme for local operators

The gradient flow exponentially suppresses ultraviolet field fluctuations and removes ultraviolet divergences (up to a multiplicative fermionic wavefunction renormalization). It can be used to describe real-space Wilsonian renormalization group transformations and determine the corresponding beta function. We propose a new nonperturbative renormalization scheme for local composite fermionic operators that uses the gradient flow and is amenable to lattice QCD calculations. We present preliminary nonperturbative results for the running of quark bilinear operators in this scheme and outline the calculation of perturbative matching to the MS-bar scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Characterization of the Polarization Beam Response of SPT-3G Using Point Sources

Precise measurements of cosmic microwave background (CMB) polarization require rigorous control of instrumental systematics. For the South Pole Telescope's third-generation camera (SPT-3G), which observes in three bands centered near 95, 150, and 220 GHz, accurate beam characterization is critical for interpreting the polarized mm-wave sky. We present direct measurements of SPT-3G's polarized beam response from observations of 100 bright extragalactic point sources. Previous SPT-3G power spectrum analyses introduced a phenomenological parameter, $β_{\rm pol}$, to describe the polarization preserved in beam sidelobes, and found evidence for significant depolarization from the requirement of inter-frequency polarization power spectrum consistency. Our direct measurements yield $β_{\rm pol}=0.89\pm0.10$ at 95 GHz, $1.08\pm0.10$ at 150 GHz, and $0.90\pm0.22$ at 220 GHz, indicating minimal sidelobe depolarization. We validate these results with systematic tests of posterior sampling versus bootstrap resampling, real-space versus Fourier-space analysis, temperature-to-polarization leakage handling, covariance determination, and source selection. Compared to values inferred from previous cosmological analyses, our results differ by an effective $1.3σ$. This apparent discrepancy is model dependent, because the point source analysis derives much of its $β_{\rm pol}$ constraining power from higher multipoles than the power spectrum analysis. These measurements therefore admit three explanations for the frequency-dependent residuals observed in the power spectrum analysis: a statistical fluctuation, the need for more sophisticated polarized beam models, or systematics other than beam depolarization.

de Haan, T. [KEK, Tsukuba]↗
DOE OSTI2020

Quantitative comparisons of electron-scale turbulence measurements in NSTX via synthetic diagnostics for high-k scattering.

Two synthetic diagnostics are implemented for the high-k scattering system in NSTX [D. R. Smith, E. Mazzucato, W. Lee, H. K. Park, C. W. Domier, and N. C. Luhmann Jr., Rev. Sci. Instrum., 79, 123501 (2008)] allowing direct comparisons between synthetic and experimentally detected frequency and wavenumber spectra of electron-scale turbulence fluctuations. Synthetic diagnostics were formulated in real-space and in wavenumber space, and were deployed to realistic electron-scale simulations carried out with the GYRO code [J. Candy and R. E. Waltz, J. Comput. Phys. 186 (2003) 545]. A highly unstable ETG regime (electron temperature gradient mode) in a modest beta NSTX NBI-heated H-mode discharge was chosen for the analysis. Mapping the measured wavenumbers to field aligned coordinates showed that the high-k system is sensitive to fluctuations that are closer to the spectral peak in the density fluctuation wavenumber spectrum (streamers) than originally predicted. Analysis of synthetic spectra show that the frequency response of the detected fluctuations is dominated by Doppler shift and insensitive to the turbulence drive. The shape of the high-k density fluctuation wavenumber spectrum is sensitive to the ETG turbulence drive conditions, and can be reproduced in a sensitivity scan of the most pertinent turbulent drive terms in the simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Quasiparticle spectroscopy, transport, and magnetic properties of Nb films used in superconducting transmon qubits

Niobium thin films on silicon substrate used in the fabrication of superconducting qubits have been characterized using scanning and transmission electron microscopy, electrical transport, magnetization, quasiparticle spectroscopy, and real-space real-time magneto-optical imaging. We study niobium films to provide an example of a comprehensive analytical set that may benefit superconducting circuits such as those used in quantum computers. The films show outstanding superconducting transition temperature of $T_{c}=9.35$ K and a fairly clean superconducting gap, along with superfluid density enhanced at intermediate temperatures. These observations are consistent with the recent theory of anisotropic strong-coupling superconductivity in Nb. However, the response to the magnetic field is complicated, exhibiting significantly irreversible behavior and insufficient heat conductance leading to thermo-magnetic instabilities. These may present an issue for further improvement of transmon quantum coherence. Possible mitigation strategies are discussed.

Joshi, Kamal R.↗
DOE OSTI2022

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ~8-fold GPU-CPU speedup for these operations on the largest systems studied. In conclusion, the computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ~7,000 atoms.

97 MATHEMATICS AND COMPUTING↗