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DOE OSTI2025

Strongly Interacting, Two-Dimensional, Dipolar Spin Ensembles in (111)-Oriented Diamond

Systems of spins with strong dipolar interactions and controlled dimensionality enable new explorations in quantum sensing and simulation. In this work, we investigate the creation of strong dipolar interactions in a two-dimensional ensemble of nitrogen-vacancy (NV) centers generated via plasma-enhanced chemical vapor deposition on (111)-oriented diamond substrates. We find that diamond growth on the (111) plane yields high incorporation of spins, both nitrogen and NV centers, where the density of the latter is tunable via the miscut of the diamond substrate. Our process allows us to form dense, preferentially aligned, 2D NV ensembles with volume-normalized ac sensitivity down to η ac = 810 pT μ m 3 / 2 Hz − 1 / 2 . Furthermore, we show that (111) affords maximally positive dipolar interactions among a 2D NV ensemble, which is crucial for leveraging dipolar-driven entanglement schemes and exploring new interacting spin physics. Published by the American Physical Society 2025

Hughes, Lillian B. (ORCID:0000000210201661)↗

NASA NTRS1984

Charge-coupled device camera for the Galileo Jupiter Orbiter spacecraft

A slow-scan television camera called the solid-state imaging subsystem (SSI), built for the Galileo Jupiter Orbiter, is described. The SSI consists of a 1500-mm focal-length telescope coupled to a camera head housing a 800 x 800-element charge-coupled device (CCD) detector based on 'virtual-phase' charge transfer technology. The CCD detector provides broadband sensitivity over 100 times that of a comparable vidicon-tube camera, while also yielding improved resolution, linearity, geometric fidelity, and spectral range. The system noise floor is 30 electrons, which results in a dynamic range of about 3500. Saturation of the detector with 9000-A light, followed by a high-speed erasure cycle prior to exposing each image, stabilizes the detector quantum efficiency at its maximum level for wavelengths beyond 7000 A. An optical schematic diagram of the SSI is included.

Klaasen, K. P.↗

NASA NTRSDate not supplied

NASA’s Orbital Debris Optical Program: ES-MCAT Nearing Full Operational Capability (FOC)

The NASA JAO/ES-MCAT (Eugene Stansbery Meter Class Autonomous Telescope) Facility is nearing Full Operational Capability, or FOC. ES-MCAT is now fully capable of autonomously running all observations, including: (a) monitoring weather and closing when conditions are not safe, as well as halting observations when conditions are not suitable (e.g. too cloudy) for operations, (b) start-up/shut-down nightly tasking, (c) collecting calibration data and survey or TLE-tracked data, and (d) processing all collected data, including on-chip photometry and astrometry calibrations using the GAIA star catalogue. The processed data are then further analyzed at NASA Johnson Space Center to correlate detections with known objects in the Space Surveillance Network (SSN) catalogue. MCAT can collect data of specific objects with known orbits or can search for objects with orbits similar to those of spacecraft or rocket bodies that have recently broken up. However, the primary goal for ES-MCAT is to survey the geosynchronous (GEO) belt to provide a statistical sample of the GEO debris environment for both engineering models for spacecraft designers and long-term environment evolutionary purposes. The approach for sweeping the sky to statistically survey GEO has been investigated and updated from past surveys taken by NASA and will be reported, herein referred to as the Candy Cane method. ES-MCAT’s optical performance and the limiting magnitude for the full optical system will be discussed. An analysis used to determine which filter to use for GEO surveys (SDSS r′) includes combining the reflectivity of the primary and secondary mirrors, transmission of the field corrector and CCD window, and the quantum efficiency of the CCD detector, resulting in throughput of the full optical path. This throughput is then combined with the expected typical transparency of the atmosphere at ES-MCAT’s altitude/location for the Sloan Digital Sky Survey (SDSS) g′r′i′z′ and Johnson/Kron-Cousins BVRI filters to yield expected relative throughput.

S. M. Lederer↗

DOE OSTI2025

Contextual subspace variational quantum eigensolver calculation of the dissociation curve of molecular nitrogen on a superconducting quantum computer

Abstract We present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting hardware. Calculating the potential energy curve of molecular nitrogen proves challenging for many conventional quantum chemistry techniques, since static correlation dominates in the dissociation limit. Our quantum simulations retain good agreement with the Full Configuration Interaction energy, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately. Moreover, our methodology is competitive with multiconfigurational approaches but at a saving of quantum resource, meaning larger active spaces can be treated for a fixed qubit allowance. To achieve this result, we deploy an error mitigation/suppression strategy comprised of Dynamical Decoupling, Measurement-Error Mitigation and Zero-Noise Extrapolation. Circuit parallelization also provides passive noise-averaging and improves the effective shot yield to reduce the measurement overhead. Furthermore, we introduce a modified adaptive ansatz construction algorithm that incorporates hardware awareness into our variational circuits, minimizing the transpilation cost for the target qubit topology.

Physics↗

DOE OSTI2025

Description of di-hadron saturation signals within a universal nuclear parton distribution function approach

Di-hadron and di-jet correlation measurements in proton-nucleus (𝑝+𝐴) and electron-nucleus collisions are widely motivated as sensitive probes of novel, nonlinear quantum chromodynamices saturation dynamics in hadrons, which are particularly accessible in the dense nuclear environment at low values of Bjorken-𝑥 (𝑥 A ). Current measurements at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC) observe a significant suppression in the per-trigger yield at forward rapidities compared to that in proton-proton collisions, nominally consistent with the “mono-jet” production expected in a saturation scenario. However, the width of the azimuthal correlation remains unmodified, in contradiction to the qualitative expectations from this physics picture. I investigate whether the construction of these observables leaves them sensitive to effects from simple nuclear shadowing as captured by, for example, universal nuclear parton distribution function (nPDF) analyses. I find that modern nPDF sets, informed by recent precision measurements sensitive to the shadowing of low-𝑥 A gluon densities in LHC and other data, can describe all or the majority of the di-hadron/jet suppression effects in 𝑝+𝐴 data at both RHIC and the LHC, while giving a natural explanation for why the azimuthal correlation width is unmodified. Notably, this is achieved via a (𝑥 A ,𝑄 2 )-differential suppression of overall cross sections only, without requiring additional physics dynamics which alter the interevent correlations.

Jets & heavy flavor physics↗

DOE OSTI2025

Control simulations of many-body quantum systems by a synergism of discrete real-time learning and optimal control theory

We present a self-consistent algorithm for optimal control simulations of many-body quantum systems. The algorithm features a two-step synergism that combines discrete real-time machine learning (DRTL) with Quantum Optimal Control Theory (QOCT) using the time-dependent Schrödinger equation. Specifically, in step (1), DRTL is employed to identify a compact working space (i.e., the important portion of the Hilbert space) for the time evolution of the many-body quantum system in the presence of a control field (i.e., the initial or previously updated field), and in step (2), QOCT utilizes the DRTL-determined working space to find a newly updated control field for a chosen objective. Steps 1 and 2 are iterated until a self-consistent control objective value is reached such that the resulting optimal control field yields the same targeted objective value when the corresponding working space is systematically enlarged. Furthermore, to demonstrate this two-step self-consistent DRTL-QOCT synergistic algorithm, we perform optimal control simulations of strongly interacting 1D as well as 2D Heisenberg spin systems. In both scenarios, only a single spin (at the left end site for 1D and the upper left corner site for 2D) is driven by the time-dependent control fields to create an excitation at the opposite site as the target. It is found that, starting from all spin-down zero excitation states, the synergistic method is able to identify working spaces and convergence of the desired controlled dynamics with just a few iterations of the overall algorithm. In the cases studied, the dimensionality of the working space scales only quasi-linearly with the number of spins.

Artificial neural networks↗

DOE OSTI2024

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Neutrino Flavor Transformation in Neutron Star Mergers

Here, we present the first numerical relativity simulations including neutrino flavor transformations that could result from flavor instabilities, quantum many-body effects, or potential beyond standard model physics in neutron star mergers. We find that neutrino flavor transformations impact the composition and structure of the remnant, potentially leaving an imprint on the postmerger gravitational-wave signal. They also have a significant impact on the composition and nucleosynthesis yields of the ejecta.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

From broadband biphotons to frequency combs via spectral compression with time-varying cavities

Biphoton frequency combs are promising resources for quantum networking due in large part to their compatibility with the telecommunication infrastructure. Here, in this work, we propose a method to periodically compress broadband frequency-entangled photons into biphoton frequency combs by utilizing time-varying linear cavities. Our approach hinges on rapid modulation of the input cavity coupling, yielding high spectral purity in each output comb line similar to that achieved with narrowband filters, but without the associated loss in flux. We examine the dependence of spectral purity and compression on coupling strength, cavity loss, and switching speed, finding realistic regimes supporting purities in excess of 0.999 and peak enhancement factors of 100× and beyond.

Myilswamy, Karthik V. [Purdue Univ., West Lafayett↗

NASA NTRS1988

The laboratory millimeter- and submillimeter-wave spectrum of CH3OD

The millimeter-wave and submillimeter-wave spectrum of CH3OD, a deuterated isotope of methanol known to be present in the interstellar medium, has been studied in the laboratory. Like all isotopes of methanol, CH3OD possesses a complex dense spectrum because of the phenomenon of internal rotation, sometimes referred to as torsional motion. Approximately 300 lines in the frequency range 130-700 GHz have been assigned. These lines involve transitions between rotational states with rotational quantum number J of not greater than 9 in both the A and the E substates of the lowest torsional state (v sub t = 0). The present data and previous data at lower frequencies (longer wavelengths) have been combined and analyzed by a procedure called the 'internal axis method'. The analysis yields spectral constants for CH3OD which, in turn, have been used to predict the frequencies of a number of other transitions of this species not measured in the laboratory.

Anderson, Todd↗

NASA NTRS2011

The Dolinar Receiver in an Information Theoretic Framework

Optical communication at the quantum limit requires that measurements on the optical field be maximally informative, but devising physical measurements that accomplish this objective has proven challenging. The Dolinar receiver exemplifies a rare instance of success in distinguishing between two coherent states: an adaptive local oscillator is mixed with the signal prior to photodetection, which yields an error probability that meets the Helstrom lower bound with equality. Here we apply the same local-oscillator-based architecture with aninformation-theoretic optimization criterion. We begin with analysis of this receiver in a general framework for an arbitrary coherent-state modulation alphabet, and then we concentrate on two relevant examples. First, we study a binary antipodal alphabet and show that the Dolinar receiver's feedback function not only minimizes the probability of error, but also maximizes the mutual information. Next, we study ternary modulation consistingof antipodal coherent states and the vacuum state. We derive an analytic expression for a near-optimal local oscillator feedback function, and, via simulation, we determine its photon information efficiency (PIE). We provide the PIE versus dimensional information efficiency (DIE) trade-off curve and show that this modulation and the our receiver combination performs universally better than (generalized) on-off keying plus photoncounting, although, the advantage asymptotically vanishes as the bits-per-photon diverges towards infinity.

optical communications↗

DOE OSTI2025

High-throughput spin-bath characterization of spin defects in semiconductors

Detailed knowledge of the local environments of spin defects in semiconductors, such as nitrogenvacancy (NV) centers in diamond or divacancies in silicon carbide, is crucial for optimizing control and entanglement protocols in quantum sensing and information applications. However, at present a direct experimental characterization of individual defect environments is not scalable, as conventional spin-bath measurements are time consuming and difficult to automate. Achieving high-throughput characterization requires short experiments to probe the spin bath. However, with fewer and noisier measurements, the inverse problem of recovering spin-bath properties from measured data becomes ill posed, with multiple spin baths having a high likelihood of yielding the same data. In this work, we present a set of computational tools to resolve the ill-posed inverse problem of recovering the atomic positions and hyperfine couplings of random nuclei surrounding spin defects from sparse, noisy experimental coherence data, which can be obtained in hours. Here, we use a trans-dimensional Bayesian approach that incorporates ab initio data to yield full posterior distributions over nuclear spin environments, enabling robust recovery from limited data. We also provide practical tools and guidelines to determine the limits of detectability for hyperfine couplings under specific dynamical decoupling sequences and sampling conditions. In addition, we demonstrate how the tools developed here, in combination with ab initio simulations of spin baths, can guide the design of efficient experimental protocols for application-specific high-throughput screening. To showcase the utility of our approach, we apply it to design fast dynamical decoupling experiments to characterize the spin baths often individual NV centers in diamond. While the primary focus is on accelerating spin-bath characterization of spin defects, this Bayesian approach also lays the foundation for digital-twin studies of spin defects, where a virtual model of the spin-defect system evolves in real time with ongoing experimental measurements. Together, the set of tools we designed and applied paves the way for scalable deployment of spin defects in semiconductors for quantum sensing and information applications.

Bayesian methods↗

NASA NTRS1991

Cometary implications of the internal energy distributions of the C2 and C3 radicals produced in the photolysis of the C2H and C3H2

The C2 and C3 radicals are prominent emission in the visible region of cometary spectra. Observational evidence exists that suggests these radicals are formed as granddaughter fragments in the photolysis of more stable molecules. Likely candidates for these parent molecules ar C2H2, C3H4 (allene), and CH3C2H (propyne). Recent laboratory studies were performed on all of these parent molecules and they indicate that they can indeed produce the observed cometary radicals. In the case of C2H2, the laboratory evidence suggest that C2 is formed via the following mechanisms: (1) C2H2 + photon(193 nm) yields C2H + H; and (2) C2H + photon(193 nm) yields C2 + H. Evidence is presented to show that the C2 radical produced in the second reaction occurs in a variety of electronic, vibrational, and rotational states. It is argued that this is a result of conical intersections in the potential energy curves and the density of states associated with these curves. Since this is a property of the C2H radical similar initial product state distributions are expected to occur in comets. This means that any models of the C2 emission may have to start off with rotationally excited C2 radicals in both the singlet and the triplet manifolds. When C3H4 (allene) and CH3C2H (propyne) were photolyzed, the C3 radical is formed. In the allene case, laboratory evidence shows that the C3 radical is formed via the following mechanism: (1) C3H4 + photon(193 nm) yields C3H2 + H2; and (2) C3H2 + photon(193 nm) yields C3 + H2. More C3 is formed in the case of allene than in the propyne case, even though the absorption cross section for propyne is a factor of 2 larger. This suggests that competing dissociation pathways are present during the photolysis of propyne that are not available to allene. The observed quantum state distributions of the C3 product were the same for both parent molecules, indicating that the same intermediate state is involved. These observations can be understood if the excited propyne formed in the initial absorption step isomerizes to excited allene before it dissociates to the same daughter compound. This postulate was tested by comparing RRKM calculations of the isomerization rate of excited propyne versus the decomposition rate to other products.

Jackson, William M.↗

NASA NTRS1985

The Hanle effect applied to magnetic field measurements

The Hanle effect is the modification by a local magnetic field of the polarization due to coherent scattering in spectral lines. It results from the precession of a classical oscillator about the magnetic field direction. The sophisticated quantum-mechanical treatment, which is required to compute the polarization parameters of scattered light, was developed. The main features of the Hanle effect concerning magnetic field measurements are: (1) a good sensitivity within the approximate range 0.1 B gamma rho to 10 B gamma rho where B gamma rho is the field strength yielding a Larmor period equal to the radiative lifetime, (2) there is no Hanle effect for field vectors parallel to the excitating beam, (3) the Hanle effect refers essentially to the linear polarization in a spectral line, (4) various points in the line profile are affected in the same way by change of linear polarization so that polarization parameters can be measured on the integrated line profile.

Leroy, J. L.↗

NASA NTRS1989

HgCdTe 256x256 NWIR FPA

Researchers developed a HgCdTe 256x256 focal plane array (FPA) which operates in the 1 to 5 micron band. This is presently the largest demonstrated HgCdTe FPA. The detector material is HgCdTe on sapphire (PACE-1 technology) which has a low thermal expansion mismatch with silicon. The multiplexer is a CMOS FET-switch device processed through a commercial silicon foundry. The multiplexer input is direct injection and the charge capacity is about 2 times 10 to the 7th power electrons. The kTC limited read noise is 400 electrons. Researchers demonstrated high background imaging using the device. The broadband quantum efficiency is measured to be 59 percent. Dark currents less than 0.1 pA were measured at 77 K for detectors processed on PACE-1 material with 4.9 microns cutoff. The dark currents decrease as the temperature is lowered, and researchers are presently studying the T less than 77 K characteristics. The interconnect yield is greater than 95 percent. The devices are available for astronomical applications.

Vural, Kadri↗

DOE OSTI2024

Quantification of Native Lignin Structural Features with Gel–Phase 2D–HSQC 0 Reveals Lignin Structural Changes During Extraction

Our ability to study and valorize the lignin fraction of biomass is hampered by the fundamental and still unmet challenge of precisely quantifying native lignin's structural features. Here, we developed a rapid elevated-temperature 1 H– 13 C Heteronuclear Single-Quantum Coherence Zero (HSQC 0 ) NMR method that enables this precise quantification of native lignin structural characteristics even with whole plant cell wall (WPCW) NMR spectroscopy, overcoming fast spin relaxation in the gel phase. We also formulated a Gaussian fitting algorithm to perform automatic and reliable spectral integration. By combining HSQC 0 measurements with yield measurements following depolymerisation, we can confirm the combinatorial nature of radical coupling reactions during biosynthesis leading to a random sequential organization of linkages within a largely linear lignin chain. Such analyses illustrate how this analytical method can greatly facilitate the study of native lignin structure, which can then be used for fundamental studies or to understand lignin depolymerization methods like reductive catalytic fractionation or aldehyde-assisted fractionation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quantification of Native Lignin Structural Features with Gel–Phase 2D–HSQC 0 Reveals Lignin Structural Changes During Extraction

09 BIOMASS FUELS↗

DOE OSTI2024

Elucidating Photoinduced Processes of Photosystem I Via Multidimensional Electronic and Vibrational Spectroscopies

This project was motivated by an overarching goal to elucidate the mechanism of energy and electron transfer that governs the efficient charge separation in photosystem I (PSI) complexes. PSI is a natural light harvesting complex that drives oxygenic photosynthesis in plants, algae, and cyanobacteria. It uses ~300 tightly packed chlorophylls (Chls) to absorb photons, transfer the excitation energy to the reaction center (RC), and generate a charge separated state with near unity quantum efficiency (QE). A better understanding of the mechanism of energy transfer and charge separation in PSI is required for understanding the high QE of natural light harvesting complexes, and it could lead to the further development of artificial photosynthetic systems for solar energy conversion and modification of light harvesting complexes to improve crop yields. We applied two-dimensional optical spectroscopies to different cyanobacterial photosystem I complexes, including PSI complexes that contain Chl f molecules, to map energy transfer pathways and gain insight into the efficient light harvesting of PSI. We used two-dimensional electronic spectroscopies (2DES) to map energy transfer in Chl a and Chl f containing PSI complexes. To investigate the Chl f PSI complexes, we modified our spectrometer to probe the lower energy states associated with Chl f molecules. We interpreted the 2DES spectra through global analysis procedures to generate maps of energy transfer. We also constructed a two-dimensional electronic vibrational (2DEV) spectrometer that will be used to investigate charge transfer transitions and dynamics within PSI complexes. Measurements were performed on model systems to establish general data analysis procedures for interpreting 2D spectra and gain insight into protein cofactor interactions.

14 SOLAR ENERGY↗