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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

How state transitions balance photosynthetic electron transport in plants – a quantitative study

In plants, the process of state transition regulates the allocation of sunlight energy between Photosystem II (PSII) and PSI. However, the implications of state transitions for harmonizing electron transport rates between photosystems, and a full quantitative picture of this process, remain underexplored. We integrated quantitative biology (biochemical and biophysical approaches) with in vivo spectroscopy on wild-type Arabidopsis and protein phosphorylation mutants. This combination facilitated monitoring of Chl redistribution and its functional implications for light harvesting and electron transport. Our findings demonstrate the reallocation of 12% of highly phosphorylated ‘extra’ light-harvesting complex II under state 2 from stacked to unstacked thylakoids. This reduces the number of Chls per PSII from 216 to 182, while increasing the number in PSI from 187 to 223. Such Chl redistribution compensates for differences in photosystem stoichiometry and photochemical quantum efficiencies, thereby precisely synchronizing electron transport rates in both photosystems. Mutant analyses corroborate that this regulatory mechanism involves reversible phosphorylation. We inferred that state transitions optimize linear electron transport, leaving no additional capacity for cyclic electron transport. Furthermore, the results suggest that the controversies about long-range migration of LHCII from stacked to unstacked thylakoid domains arise from differences in phosphorylation levels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Luminescence of Radachlorin Photosensitizer in Aqueous Solution under Excitation at 405 and 660 nm

Entire luminescence spectrum of a commercial photosensitizer Radachlorin in aqueous solution has been recorded under laser excitation at 660 nm and analyzed. The peak of singlet oxygen phosphorescence at 1274 nm has been observed. The results obtained were compared with those recorded with laser excitation at 405 nm and reported earlier. The comparison showed the similarity of relaxation and luminescence processes occurring in both cases. Effective absorption cross sections were determined at each excitation wavelength, it was also shown that the singlet oxygen quantum yield is independent of photosensitizer concentration. The lifetime of the first excited triplet state in Radachlorin was determined. The results obtained can be used for optimization of the conditions of singlet oxygen generation and detection in solutions and biological samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Observational manifestations of black holes in the Horndeski gravity model

The geodesic equations for black hole solutions in the scalar–tensor Horndeski gravity model with non-minimal kinetic coupling have been investigated. The ranges of model parameters admitting the existence of bounded orbits have been determined. Constraints on the model parameters providing agreement of the model with the observational data on the accretion and motion of bodies in the Solar system have been obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The virtual element method for eigenvalue problems with potential terms on polytopic meshes

In this work, we extend the conforming virtual element method (VEM) to the numerical resolution of eigenvalue problems with potential terms on a polytopic mesh. An important application is that of the Schrödinger equation with a pseudopotential term. This model is a fundamental element in the numerical resolution of more complex problems from the Density Functional Theory. The VEM is based on the construction of the discrete bilinear forms of the variational formulation through certain polynomial projection operators that are directly computable from the degrees of freedom. The method shows a great flexibility with respect to the meshes and provides a correct spectral approximation with optimal convergence rates. This point is discussed from both the theoretical and the numerical viewpoint. The performance of the method is numerically investigated by solving the quantum harmonic oscillator problem with the harmonic potential and a singular eigenvalue problem with zero potential for the first eigenvalues.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Sensitivity analysis and multidisciplinary optimization for aircraft design: Recent advances and results

Optimization by decomposition, complex system sensitivity analysis, and a rapid growth of disciplinary sensitivity analysis are some of the recent developments that hold promise of a quantum jump in the support engineers receive from computers in the quantitative aspects of design. Review of the salient points of these techniques is given and illustrated by examples from aircraft design as a process that combines the best of human intellect and computer power to manipulate data.

Sobieszczanski-Sobieski, Jaroslaw↗
NASA NTRS1988

Sensitivity analysis and multidisciplinary optimization for aircraft design - Recent advances and results

Optimization by decomposition, complex system sensitivity analysis, and a rapid growth of disciplinary sensitivity analysis are some of the recent developments that hold promise of a quantum jump in the support engineers receive from computers in the quantitative aspects of design. Review of the salient points of these techniques is given and illustrated by examples from aircraft design as a process that combines the best of human intellect and computer power to manipulate data.

Sobieszczanski-Sobieski, Jaroslaw↗
NASA NTRS1994

Design and performance of very long-wavelength GaAs/Al(x)Ga(1-x)As quantum-well infrared photodetectors

We present an extensive and detailed study of very long wavelength quantum well infrared photodetectors covering the spectral region between 14 and 20 micrometers. Measurements were made on seven different molecular beam epitaxy grown samples having different well widths and barrier heights. In this study we combine experimental results with theoretical analysis and focus on the relationship between the quantum well structure and detector performance, i.e., responsivity, dark current, dynamic resistance, noise current, optical-gain, and detectivity. These results provide the basis for further optimization, and the detector parameters needed for the design of the readout circuit for focal plane arrays.

Sarusi, G.↗
DOE OSTI2023

Shadow Distillation: Quantum Error Mitigation with Classical Shadows for Near-Term Quantum Processors

Mitigating errors in quantum information processing devices is especially important in the absence of fault tolerance. An effective method in suppressing state-preparation errors is using multiple copies to distill the ideal component from a noisy quantum state. Here, we use classical shadows and randomized measurements to circumvent the need for coherent access to multiple copies at an exponential cost. We study the scaling of resources using numerical simulations and find that the overhead is still favorable compared to full state tomography. We optimize measurement resources under realistic experimental constraints and apply our method to an experiment preparing a Greenberger-Horne-Zeilinger state with trapped ions. In addition to improving stabilizer measurements, the analysis of the improved results reveals the nature of errors affecting the experiment. Hence, our results provide a directly applicable method for mitigating errors in near-term quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Noise limits for dc SQUID readout of high- Q resonators below 300 MHz

We present the limits on noise for the readout of cryogenic high-Q resonators using dc Superconducting Quantum Interference Devices (SQUIDs) below 300 MHz. This analysis uses realized first-stage SQUIDs (previously published), whose performance is well described by Tesche–Clarke (TC) theory, coupled directly to the resonators. We also present data from a prototype second-stage dc SQUID array designed to couple to this first-stage SQUID as a follow-on amplifier with high system bandwidth. This analysis is the first full consideration of dc SQUID noise performance referred to a high-Q resonator over this frequency range and is presented relative to the standard quantum limit. We include imprecision, backaction, and backaction–imprecision noise correlations from TC theory, the noise contributed by the second-stage SQUIDs, wiring, and preamplifiers, and optimizations for both on-resonance measurements and off-resonance scan sensitivity. This architecture has modern relevance due to the increased interest in axion searches and the requirements of the DMRadio-m 3 axion search, which uses dc SQUIDs in this frequency range.

Bosons↗
DOE OSTI2024

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Sub-quantum Fisher information

We report the quantum Fisher information (QFI) plays a crucial role in quantum information theory and in many practical applications such as quantum metrology. However, computing the QFI is generally a computationally demanding task. In this work we analyze a lower bound on the QFI which we call the sub-quantum Fisher information (sub-QFI). The bound can be efficiently estimated on a quantum computer for an n-qubit state using 2n qubits. The sub-QFI is based on the super-fidelity, an upper bound on Uhlmann's fidelity. We analyze the sub-QFI in the context of unitary families, where we derive several crucial properties including its geometrical interpretation. In particular, we prove that the QFI and the sub-QFI are maximized for the same optimal state, which implies that the sub-QFI is faithful to the QFI in the sense that both quantities share the same global extrema. Based on this faithfulness, the sub-QFI acts as an efficiently computable surrogate for the QFI for quantum sensing and quantum metrology applications. Finally, we provide additional meaning to the sub-QFI as a measure of coherence, asymmetry, and purity loss.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Thermodynamic properties of nodal superconductors close to a magnetic quantum critical point

In this work we study thermodynamic manifestations of the quantum criticality in multiband unconventional superconductors. As a guiding example we consider the scenario of magnetic quantum critical point in the model that captures superconductivity coexistence with the spin-density wave. We show that in situations when the superconducting order parameter has incidental nodes at isolated points, quantum magnetic fluctuations lead to the renormalization of the relative 𝑇-linear slope of the London penetration depth. This leads to the nonmonotonic dependence of the penetration depth as a function of doping and the concomitant peak structure across the quantum critical point. In addition, we determine contribution of magnetic fluctuations to the specific heat at the onset of the coexistence phase. Furthermore, our theoretical analysis is corroborated by making a comparison of our results with the recent experimental data from the low-temperature thermodynamic measurements at optimal composition in BaFe 2 (As 1-x P x ) 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mapping Stellar Surfaces. II. An Interpretable Gaussian Process Model for Light Curves

The use of Gaussian processes (GPs) as models for astronomical time series data sets has recently become almost ubiquitous, given their ease of use and flexibility. In particular, GPs excel at marginalization over the stellar signal when the variability due to starspots is treated as a nuisance, as in exoplanet transit modeling. However, these effective models are less useful in cases where the starspot signal is of primary interest, since it is not obvious how the parameters of the GP relate to physical parameters like the spot size, contrast, and latitudinal distribution. Instead, it is common practice to explicitly model the effect of individual starspots on the light curve and attempt to infer their properties via optimization or posterior inference. Unfortunately, this process is ill-posed and often computationally intractable when applied to stars with more than a few spots and/or to ensembles of many stars. Here we derive a closed-form expression for a GP that describes the light curve of a rotating, evolving stellar surface conditioned on a given distribution of starspot sizes, contrasts, and latitudes. We demonstrate that this model is correctly calibrated, allowing one to robustly infer physical parameters of interest from one or more light curves, including the typical spot radii and latitudes. Our GP has far-ranging implications for understanding the variability and magnetic activity of stars from light curves and radial velocity measurements, as well as for modeling correlated noise in exoplanet searches. Our implementation is efficient, user-friendly, and open-source, available in the package starry-process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Simulating a Low-Weight Encoding of the Fermi-Hubbard Model Feedback and Support with QAOA

Recent work [1] has proposed a compact fermion-to-qubit mapping for the Fermi-Hubbard model (FHM), potentially lowering the overhead needed to simulate such a system on quantum hardware. In prior work [2], we numerically investigated how well a quantum annealer could prepare ground states of the FHM encoded using the resource-efficient mapping. In order to compare these results to gate-model systems, we turn to a QAOA-style approach and replace the annealing schedule with both Trotterizations thereof and also more general Hamiltonian-variational ansatze based on the terms of the mapped FH Hamiltonian. We investigate the achievable ground state fidelities of these gate sequences, consider various optimizations of the ansatze structure, and offer resource estimations of the optimized QAOA protocols for near-term hardware.

quantum computing↗
DOE OSTI2019

A Moderately Relativistic Subgigawatt Microwave Oscillator of Twistron Type Operating with 50% Efficiency

A regime of quasi-stationary microwave generation in moderately relativistic microwave oscillator of the twistron type with 50 ± 20% efficiency of electron beam power conversion into electromagnetic radiation has been obtained in experiment through optimization of the electron–wave interaction. For the selected electron beam parameters (diode voltage, 210 kV; beam current. 1.36 kA) the output microwave power at 10.63 GHz frequency was 140 ± 40 MW in a guiding magnetic field of about 1.9 T. The duration of microwave pulses was about 16 ns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nanocomposite Materials for Accelerating Decarbonization

Here, decarbonization is demonstrated by catalytic conversion of CO 2 to fuel by means of exposure of cadmium selenide (CdSe) quantum dots-titania (TiO 2 ) nanophotocatalysts to sunlight illumination. The primary products resulted from this chemical reactions are methanol, carbon monoxide, and hydrogen after several hours of exposure to sun light. The overall CO 2 conversion efficiency of such quantum dot-titania nanostructures was compared with that of pure TiO 2 nanorod array photocatalyst. Data shows an improved conversion efficiency when composite quantum dot-titania nanostructures were used in comparison with titania nanophotocatalysts. It is postulated that this is due to the additional absorbance of visible light by the quantum dots and generation of additional charge separation at the CdSe-TiO 2 interfaces. The conversion efficiency of such an artificial photosynthesis process remains to be optimized for practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Machine learning a molecular Hamiltonian for predicting electron dynamics

We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density evolution, producing highly accurate results even when propagating 1,000 time steps beyond the training data. As a more rigorous test, we use the learned Hamiltonians to simulate electron dynamics in the presence of an applied electric field, extrapolating to a problem that is beyond the field-free training data. We find that the resulting electron dynamics predicted by our learned Hamiltonian are in close quantitative agreement with the ground truth. Our method relies on combining a reduced-dimensional, linear statistical model of the Hamiltonian with a time-discretization of the quantum Liouville equation within time-dependent Hartree Fock theory. In conclusion, we train the model using a least-squares solver, avoiding numerous, CPU-intensive optimization steps. For both field-free and field-on problems, we quantify training and propagation errors, highlighting areas for future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗