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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 OSTI2021

Scattering Matrix Determination in Crystalline Materials from 4D Scanning Transmission Electron Microscopy at a Single Defocus Value

Recent work has revived interest in the scattering matrix formulation of electron scattering in transmission electron microscopy as a stepping stone toward atomic-resolution structure determination in the presence of multiple scattering. Here, we discuss ways of visualizing the scattering matrix that make its properties clear. Through a simulation-based case study incorporating shot noise, we shown how regularizing on this continuity enables the scattering matrix to be reconstructed from 4D scanning transmission electron microscopy (STEM) measurements from a single defocus value. Intriguingly, for crystalline samples, this process also yields the sample thickness to nanometer accuracy with no a priori knowledge about the sample structure. The reconstruction quality is gauged by using the reconstructed scattering matrix to simulate STEM images at defocus values different from that of the data from which it was reconstructed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Quantum Plasmonic Sensors

The extraordinary sensitivity of plasmonic sensors is well-known in the optics and photonics community. These sensors exploit simultaneously the enhancement and the localization of electromagnetic fields close to the interface between a metal and a dielectric. This enables, for example, the design of integrated biochemical sensors at scales far below the diffraction limit. Despite their practical realization and successful commercialization, the sensitivity and associated precision of plasmonic sensors are starting to reach their fundamental classical limit given by quantum fluctuations of light—known as the shot-noise limit. To improve the sensing performance of these sensors beyond the classical limit, quantum resources are increasingly being employed. This area of research has become known as “quantum plasmonic sensing”, and it has experienced substantial activity in recent years for applications in chemical and biological sensing. This review aims to cover both plasmonic and quantum techniques for sensing, and it shows how they have been merged to enhance the performance of plasmonic sensors beyond traditional methods. We discuss the general framework developed for quantum plasmonic sensing in recent years, covering the basic theory behind the advancements made, and describe the important works that made these advancements. We also describe several key works in detail, highlighting their motivation, the working principles behind them, and their future impact. The intention of the review is to set a foundation for a burgeoning field of research that is currently being explored out of intellectual curiosity and for a wide range of practical applications in biochemistry, medicine, and pharmaceutical research.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Localization of Nonblinking Point Sources Using Higher-Order-Mode Detection and Optical Heterodyning: Developing a Strategy for Extending the Scope of Molecular, Super-resolution Imaging

While the stochastic, “blinking” nature of fluorescent systems has enabled the super-resolution of their localization by the fitting of their point-spread functions (PSFs), this strategy cannot be exploited for similar resolution of “nonblinking” systems, such as those that might be encountered in a coherent Raman experiment. An alternative method for subdiffraction-limited imaging lies in the exploitation of optical heterodyning. For example, if a Gaussian PSF (a TEM00 mode) of a point emitter is displaced with respect to the origin of the optical system, photons in the higher-order TEM modes carry information about that displacement. Information concerning the displacement can be extracted from photons in these higher-order modes. These photons can be collected by optical heterodyning, which exploits the large gain in a detector’s response to an optical signal from an emitter coupled to a local oscillator, which is prepared in the TEM of interest, e.g., TEM10. We have generalized and developed the heterodyning technique to localize point emitters via the detection of higher-order spatial modes. We have developed a theoretical approach to find a practical estimation limit of the localization parameters using a realistic model that accounts for shot noise, background noise, and Gaussian noise. To demonstrate the applicability of the method, we designed experiments in which a laser is a surrogate for one and two point emitters. Using the Fisher information and its accompanying Cramér-Rao lower bound, we demonstrate super-resolution localization in these cases: we show that objects can be localized to roughly 2–3 orders of magnitude of their point-spread function’s size for a given optical system. Finally and most importantly, it is suggested that the results will ultimately be generalizable to multiple emitters and, most importantly, to “nonblinking” molecular systems, which will be essential for broadening the scope of super-resolution measurements beyond the limits of fluorescence-based techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High-Performance Near-Infrared Quantum Emission from Color Centers in hBN

Color centers hosted in hexagonal boron nitride (hBN) have emerged as a highly promising platform for single-photon emission and spin-photon technologies relevant to quantum communication and quantum networking. As a wide bandgap van der Waals material, hBN can host optically active quantum defects across a broad spectral range. Here, we demonstrate a simple and scalable oxygen-plasma process that reproducibly creates single quantum emitters in hBN with blinking-free zero-phonon lines (ZPLs) spanning near-infrared (NIR) from 700 up to 971 nm. These emitters combine MHz-level brightness, single-photon purity up to 99.9%, and ultranarrow cryogenic line widths down to 2.7 GHz under quasi-resonant excitation, placing them in a particularly attractive regime for quantum photonics. Photostability measurements further reveal resistance to photobleaching, subnanometer spectral stability over long time scales, and near-shot-noise-limited intensity fluctuations. Analysis of the phonon sidebands shows weak vibronic coupling and ZPL-dominated emission, with Debye–Waller factors approaching 50%. Control experiments together with elemental mapping support oxygen incorporation as a necessary ingredient in activating the NIR emitter population, while first-principles calculations identify O N V N and O N V N H as the leading defect candidates. These results establish a high-performance NIR quantum-emitter platform in hBN for free-space quantum networking and future integrated quantum-photonic architectures.

2D materials↗
DOE OSTI2024

Parallel Quantum-Enhanced Sensing

Quantum metrology takes advantage of quantum correlations to enhance the sensitivity of sensors and measurement techniques beyond their fundamental classical limit, given by the shot-noise limit. The use of both temporal and spatial correlations present in quantum states of light can extend quantum-enhanced sensing to a parallel configuration that can simultaneously probe an array of sensors or independently measure multiple parameters. To this end, we use multispatial-mode bright twin beams of light, which are characterized by independent quantum-correlated spatial subregions in addition to quantum temporal correlations, to probe a four-sensor quadrant plasmonic array. We show that it is possible to independently and simultaneously measure local changes in refractive index for all four sensors with a quantum enhancement in sensitivity in the range of 22% to 24% over the corresponding classical configuration. Finally, these results provide a first step toward highly parallel spatially resolved quantum-enhanced sensing techniques and pave the way toward more complex quantum sensing and quantum imaging platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A quantum eigenvalue solver based on tensor networks

Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases, enabling the characterization of strongly correlated ground states with arbitrary spatial geometry. The energy is converged via a gradient-free generalized sweep algorithm based on quantum subspace diagonalization, with a potentially exponential speedup in the off-diagonal matrix element contractions upon translation into compact quantum circuits of linear depth in the number of qubits. Chemical accuracy is attained in numerical experiments for both a stretched water molecule and an octahedral arrangement of hydrogen atoms, achieving substantially better correlation energies compared to a unitary coupled-cluster benchmark, with orders of magnitude reductions in quantum resource estimates and a surprisingly high tolerance to shot noise. This proof-of-concept study suggests a promising new avenue for scaling up simulations of strongly correlated chemical systems on near-term quantum hardware.

chemistry↗
DOE OSTI2026

Recent efforts of vapour-phase strategies for EUV resist toward high- and hyper-NA extreme ultraviolet lithography

Extreme ultraviolet lithography (EUVL, λ = 13.5 nm) is critical for sub-1 nm technology nodes but remains constrained by inherent trade-offs among resolution, line-edge roughness (LER), and sensitivity. Stochastic effects originating from photon shot noise, low-energy secondary electron blur, and the random distribution of resist components further limit its advancement toward high numerical-aperture (NA, NA = 0.55) and hyper-NA (NA ≥0.75) EUVL. While the optimization of spin-on chemically amplified resists (CARs) continues, metal-oxide resists (MORs) have emerged as strong candidates for next-generation EUVL by incorporating metals with high EUV absorption coefficients, which enhances both resist sensitivity and etch resistance during pattern transfer. Besides spin-coating, recent advances in vapour-phase techniques, such as vapour-phase infiltration (VPI), chemical vapour deposition (CVD), and molecular atomic layer deposition (MALD), offer promising pathways to achieve new resist platforms, such as dry resists, that satisfy the stringent thickness and uniformity requirements of next-generation EUVL. These methods enable the direct incorporation of metal species into existing resist matrices or the formation of hybrid inorganic–organic resist platforms, thereby improving film uniformity, etch durability, and pattern fidelity while mitigating stochastic defects. This review highlights the latest advancements in vapour-phase-synthesized EUV resists, emphasizing material design, lithographic performance, and the underlying exposure mechanisms. Although still emerging, vapour-phase strategies are paving the way for an all-dry integration framework that could improve EUV patterning workflows and meet the demands of future technology nodes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Challenges of standard halo models in constraining galaxy properties from cosmic infrared background anisotropies

The halo model, combined with halo occupation distribution (HOD) prescriptions, is widely used to interpret cosmic infrared background (CIB) anisotropies and extract physical information about star-forming galaxies and their connection to large-scale structures. Recent CIB-specific implementations of the halo model have adopted more physical parameterizations. However, the extent to which these models can reliably recover meaningful physical parameters remains uncertain. We assessed whether the current parameterization of CIB halo models is sufficient to recover astrophysical quantities, such as star formation efficiency, η(M h , z), and halo mass at which the peak of star formation efficiency occurs, M max , when fit to mock data. We also assessed whether discrepancies arise from assumptions about galaxy emission (the HOD ingredients) or from more fundamental components in the halo model, such as bias and matter clustering. We fit the M21 CIB HOD model, implemented within the halo model framework, to mock CIB power spectra and star formation rate density (SFRD) data generated from the SIDES-Uchuu simulation, and compared the best-fit parameters to the known simulation inputs. We then repeated the analysis using a simplified version of the simulation (SSU), explicitly designed to match the HOD assumptions. A detailed comparison of model and simulation outputs was carried out to trace the origin of observed discrepancies. While the M21 HOD model provides a good fit to the mock data, it failed to recover the intrinsic parameters accurately, particularly the halo mass at which star formation efficiency peaks. This mismatch persists even when fitting data generated with the same model assumptions. We find strong agreement (within 5%) in the emission-related components (SFRD, emissivity), but observe a scale- and redshift-dependent offset exceeding 20% in the two-halo term of the CIB power spectrum. This likely arises from limitations in the treatment of halo bias and matter clustering within the linear approximation. Additionally, incorporating scatter in the SFR–halo mass relation and the spectral energy distribution (SED) templates significantly affects the shot noise (∼50%), but has only a modest impact (less than 10%) on the clustered component. These results suggest that recovering physical parameters from CIB clustering requires improvements to the cosmological ingredients of the halo model framework, such as adopting scale-dependent halo bias and nonlinear matter power spectra in addition to careful modeling of emission physics.

cosmic background radiation↗
DOE OSTI2020

High sensitivity pump–probe measurements of magnetic, thermal, and acoustic phenomena with a spectrally tunable oscillator

We describe an optical pump/probe system for sensitive measurements of time-resolved optical measurements of material dynamics. The instrument design is optimized for time-resolved magneto-optic Kerr effect (TR-MOKE) measurements of dynamics in magnetic materials. The system also allows for time-domain thermoreflectance (TDTR) measurements of thermal transport properties and picosecond acoustic measurements of film thickness and/or elastic constants. The system has several advantages over the conventional designs for TRMOKE and/or TDTR systems. Measurements of pump-induced changes to the probe beam intensity are shot-noise limited. The system’s design allows for MOKE and/or thermoreflectance measurements of both sides of a sample. Pumping and probing the sample on opposite sides allows nanoscale flash diffusivity measurements of transport properties. The wavelengths of the pump and probe beams are straightforward to tune between 350–525 nm and 690–1050 nm. A tunable wavelength allows for optical resonances in a wide array of materials to be excited and/or probed. Finally, the setup is calibrated to allow for the real and imaginary components of Kerr signals to be separately quantified.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

A framework for quantitative analysis of spectral data in two channels

Simultaneous acquisition of emission intensity from two channels in dual-color fluorescence measurements can be used to determine the spectral properties of an emitter. We detail a method to extract quantitative information from dual-color measurements by considering two models: a single spectral component model for peak wavelength determination and a dual spectral component model for relative strength determination. The former model is useful for spectral characterization and establishing heterogeneity within an emitter species, while the latter model is useful for analyzing energy transfer efficiency. Both models are formalized to yield probability distributions that reflect uncertainties due to shot noise. We applied these analysis tools to single-particle measurements of CdSe/CdS quantum dots. Isolated emitters had narrow spectral-intensity distributions that reflected their static emission profiles and fluorescence stability. Small assemblies of mixed donor/acceptor particles exhibited dynamic behavior where emission configuration changes reveal different spectral characteristics due to energy transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-resolution infrared spectroscopy of supersonically cooled singlet carbenes: Bromomethylene (HCBr) in the CH stretch region

First high-resolution spectra of cold (~35 K) singlet bromomethylene HCBr in the CH stretching (v 1 ) region from 2770 to 2850 cm-1 are reported using near quantum shot-noise limited laser absorption methods in a slit jet supersonic discharge expansion source. Three rovibrational bands are identified at high S/N (20:1 - 40:1) and rotationally assigned to i) the CH stretch fundamental (v 1 ) band $\tilde{X}$(1,0,0) ← $\tilde{X}$ (0,0,0) and ii) vibrational hot bands ($\tilde{X}$(1,1,0) ← $\tilde{X}$(0,1,0) and $\tilde{X}$(1,0,1) ← $\tilde{X}$(0,0,1)) arising from vibrationally excited HCBr populated in the discharge with single quanta in either the H–C–Br bend (v 2 ) or C–Br stretch (v 3 ) modes. Precision rotational constants are reported for a total of six states, with an experimentally determined CH stretch vibrational frequency (2799.38 cm -1 ) in good agreement with previous low-resolution fluorescence studies. Detailed analysis of the fundamental v 1 band highlights the presence of perturbations in the $\tilde{X}$(1,0,0) level, which we tentatively attribute to arise from the nearby triplet state $\tilde{a}$(0,0,1) through spin-orbit interaction or the multiple quanta $\tilde{X}$(0,2,1) singlet state via c-type Coriolis coupling. Reduced-Doppler resolution (60 MHz) in the slit-jet IR spectrometer permits clear observation of nuclear spin hyperfine structure, with experimental line shapes well reproduced by nuclear quadrupole/spin-rotation coupling constants from microwave studies. Lastly, the a-type to b-type transition intensity ratio for the fundamental CH stretch band is notably larger than predicted by a bond-dipole model, which from high level ab initio quantum calculations (CCSD(T)/PVQZ) can be attributed to vibrationally induced “charge-sloshing” of electron density along the polar C–Br bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effects of 63 MeV proton irradiation on the performance of MWIR InGaAs/InAsSb nBn photodetectors

An investigation into the effects of 63 MeV proton irradiation on high-sensitivity mid-wave infrared InGaAs/InAsSb nBn devices is performed. Three different structures with various absorber region doping profiles are irradiated and characterized to assess their impact on performance degradation. Minority carrier lifetime is measured using time-resolved photoluminescence and lifetime damage factors are assessed. The majority carrier concentration is determined via capacitance–voltage measurements and dopant introduction rates are calculated. An analysis of dark current density is performed using these material parameters, revealing a reduction in mobility with proton fluence and the emergence of a proton-induced trap energy level. Quantum efficiency is calculated at each proton fluence, and quantum efficiency damage factors show that the graded doping structure exhibits the least reduction of quantum efficiency with dose, attributed to its effective mobility enhancement. Conclusively, detector sensitivity, assessed via shot-noise limited noise-equivalent irradiance, shows that the graded doping structure is the least susceptible to high energy proton irradiation-induced performance degradation.

Physics↗
DOE OSTI2024

Identifiability and characterization of transmon qutrits through Bayesian experimental design

Robust control of a quantum system is essential to utilize the current noisy quantum hardware to its full potential, such as quantum algorithms. To achieve such a goal, a systematic search for an optimal control for any given experiment is essential. The design of optimal control pulses requires accurate numerical models and, therefore, accurate characterization of the system parameters. We present an online Bayesian approach for quantum characterization of qutrit systems, which automatically and systematically identifies optimal experiments that provide maximum information on the system parameters, thereby greatly reducing the number of experiments that need to be performed on the quantum testbed. Unlike most characterization protocols that provide point-estimates of the parameters, the proposed approach is able to estimate their probability distribution. The applicability of the Bayesian experimental design technique was demonstrated on test problems, where each experiment was defined by a parameterized control pulse. In addition to this, we also present an approach for iterative pulse extension, which is robust under uncertainties in transition frequencies and coherence times, and shot noise, despite being initialized with wide uninformative priors. Furthermore, we provide a mathematical proof of the theoretical identifiability of the model parameters and present conditions on the quantum state under which the parameters are identifiable. The proof and conditions for identifiability are presented for both closed and open quantum systems using the Schrödinger equation and the Lindblad master equation, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Frictional drag between superconducting LaAlO 3 /SrTiO 3 nanowires

Here we report frictional drag measurements between two superconducting LaAlO 3 /SrTiO 3 nanowires. In these experiments, current passing through one nanowire induces a voltage across a nearby electrically isolated nanowire. The frictional drag signal contains both symmetric and anti-symmetric components. The anti-symmetric component arises from the rectification of quantum shot noise in the drive nanowire by the broken symmetry in the drag nanowire. The symmetric component in the drag resistance is ascribed to rectification of thermal noise in the drive nanowire during superconducting-normal transition. The suppression of the symmetric component is observed when a normal nanowire is used as either a drag or drive nanowire with the other nanowire superconducting. The absence of symmetric drag resistance between a normal drag nanowire and a superconducting drive nanowire suggests a higher electron-hole asymmetry in the superconducting LaAlO 3 /SrTiO 3 nanowire arising from the 1D nature of superconductivity at LaAlO 3 /SrTiO 3 interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Photon number resolving detection with a single-photon detector and adaptive storage loop

Abstract Photon number resolving (PNR) measurements are beneficial or even necessary for many applications in quantum optics. Unfortunately, PNR detectors are usually large, slow, expensive, and difficult to operate. However, if the input signal is multiplexed, photon ‘click’ detectors, that lack an intrinsic PNR capability, can still be used to realize photon number resolution. Here, we investigate the operation of a single click detector, together with a storage line with tunable outcoupling. Using adaptive feedback to adjust the storage outcoupling rate, the dynamic range of the detector can in certain situations be extended by up to an order of magnitude relative to a purely passive setup. An adaptive approach can thus allow for photon number variance below the quantum shot noise limit under a wider range of conditions than using a passive multiplexing approach. This can enable applications in quantum enhanced metrology and quantum computing.

Sullivan, Nicholas M. (ORCID:0000000248447296)↗
DOE OSTI2021

A fast particle-mesh simulation of non-linear cosmological structure formation with massive neutrinos

Quasi-N-body simulations, such as FastPM, provide a fast way to simulate cosmological structure formation, but have yet to adequately include the effects of massive neutrinos. In this work, we present a method to include neutrino particles in FastPM, enabling computation of the CDM and total matter power spectra to percent-level accuracy in the non-linear regime. The CDM-neutrino cross-power can also be computed at a sufficient accuracy to constrain cosmological observables. To avoid the shot noise that typically plagues neutrino particle simulations, we employ a quasi-random algorithm to sample the relevant Fermi-Dirac distribution when setting the initial neutrino thermal velocities. We additionally develop an effective distribution function to describe a set of non-degenerate neutrinos as a single particle to speed up non-degenerate simulations. The simulation is accurate for the full range of physical interest, M ν ≲ 0.6eV, and applicable to redshifts z ≲ 2. Such accuracy can be achieved by initializing particles with the two-fluid approximation transfer functions (using the REPS package). Convergence can be reached in ~ 25 steps, with a starting redshift of z=99. Probing progressively smaller scales only requires an increase in the number of CDM particles being simulated, while the number of neutrino particles can remain fixed at a value less than or similar to the number of CDM particles. In turn, the percentage increase in runtime-per-step due to neutrino particles is between ~ 5-20% for runs with 1024 3 CDM particles, and decreases as the number of CDM particles is increased. The code has been made publicly available, providing an invaluable resource to produce fast predictions for cosmological surveys and studying reconstruction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Astrophysics & cosmology from line intensity mapping vs galaxy surveys

Line intensity mapping (LIM) proposes to efficiently observe distant faint galaxies and map the matter density field at high redshift. Building upon the formalism in a companion paper, we first highlight the degeneracies between cosmology and astrophysics in LIM. We discuss what can be constrained from measurements of the mean intensity and redshift-space power spectra. With a sufficient spectral resolution, the large-scale redshift-space distortions of the 2-halo term can be measured, helping to break the degeneracy between bias and mean intensity. With a higher spectral resolution, measuring the small-scale redshift-space distortions disentangles the 1-halo and shot noise terms. Additionally, cross-correlations with external galaxy catalogs or lensing surveys further break degeneracies. We derive requirements for experiments similar to SPHEREx, HETDEX, CDIM, COMAP and CONCERTO. We then revisit the question of the optimality of the LIM observables, compared to galaxy detection, for astrophysics and cosmology. We use a matched filter to compute the luminosity detection threshold for individual sources. We show that LIM contains information about galaxies too faint to detect, in the high-noise or high-confusion regimes. We quantify the sparsity and clustering bias of the detected sources and compare them to LIM, showing in which cases LIM is a better tracer of the matter density. We extend previous work by answering these questions as a function of Fourier scale, including for the first time the effect of cosmic variance, pixel-to-pixel correlations, luminosity-dependent clustering bias and redshift-space distortions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Skewing the CMB×LSS: a fast method for bispectrum analysis

Upcoming cosmic microwave background (CMB) lensing measurements and tomographic galaxy surveys are expected to provide us with high-precision data sets in the coming years, thus paving the way for fruitful cross-correlation analyses. Here, in this paper we study the information content of the weighted skew-spectrum, a nearly-optimal estimator of the angular bispectrum amplitude, as a means to extract non-Gaussian information on both bias and cosmological parameters from the bispectra of galaxies cross-correlated with CMB lensing, while gaining significantly on speed. Our results show that for the combination of the Planck satellite and the Dark Energy Spectroscopic Instrument (DESI), the difference in the constraints on bias and cosmological parameters from the skew-spectrum and the bispectrum is at most 17%. We further compare and find agreement between our theoretical skew-spectra and those estimated from N-body simulations, for which it is important to include gravitational non-linearities beyond perturbation theory and the post-Born effect for CMB lensing. We define an algorithm to apply the skew-spectrum estimator to the data and, as a preliminary step, we use the skew-spectra to constrain bias parameters and the amplitude of shot noise from the simulations through a Markov chain Monte Carlo likelihood analysis, finding that it may be possible to reach percent-level estimates for the linear bias parameter b 1 .

79 ASTRONOMY AND ASTROPHYSICS↗