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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Performance evaluations of signed and unsigned noisy approximate quantum Fourier arithmetic

The Quantum Fourier Transform (QFT) grants competitive advantages, especially in resource usage and circuit approximation, for performing arithmetic operations on quantum computers, and offers a potential route toward a numerical quantum-computational paradigm. In this paper, we utilize efficient techniques to implement QFT-based integer addition and multiplications. These operations are fundamental to various quantum applications including Shor’s algorithm, weighted-sum optimization problems in data processing and machine learning, and quantum algorithms requiring inner products. We carry out performance evaluations of these implementations based on IBM’s superconducting-qubit architecture using different compatible noise models. We isolate the sensitivity of the component quantum circuits on both one-/two-qubit gate error rates, and the number of the arithmetic operands’ superposed integer states. We analyze performance and identify the most effective approximation depths for unsigned quantum addition and quantum multiplication within the given context. We then perform a similar analysis of signed addition and compare to the unsigned results. We observe significant dependency of the optimal approximation depth on the degree of machine noise and the number of superposed states in certain performance regimes. Finally, we elaborate on the algorithmic challenges—relevant to signed, unsigned, modular and non-modular versions—that could also be applied to current implementations of QFT-based subtraction, division, exponentiation, and their potential tensor extensions. Here, we analyze the performance trends in our results and speculate on possible future developments within this computational paradigm.

Computational models↗
DOE OSTI2026

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-Ion Battery Chemistry by Mass Spectrometry and Electrochemical Reaction Networks

The formation and stability of the solid-electrolyte interphase (SEI) play central roles in determining the long-term performance and safety of modern electrochemical energy storage systems. Despite decades of research, the SEI’s heterogeneous, dynamic, and multiphase nature has defied comprehensive molecular-level characterization, creating a critical knowledge gap that limits rational battery design. In this work, we introduce a computational−experimental framework that integrates high-throughput quantum chemistry calculations, data-driven electrochemical reaction networks (eCRNs), stochastic algorithms, and laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI-FTICR-MS) to unravel SEI formation in carbonatebased electrolytes without imposing predefined mechanisms. We constructed the most comprehensive eCRN to date, spanning over 10,000 species and 209 million reactions. Through stochastic network analysis, we successfully recovered 27 species that were previously reported in the literature and predicted 28 novel SEI species nearly doubling our scientific knowledge in this area. Each new species was rigorously confirmed through advanced mass spectral analysis of its distinct molecular and isotopic signatures. We kinetically refined the formation pathways for a select set of both previously reported and novel SEI products, revealing kinetically feasible elementary reaction mechanisms with activation barriers below 1 eV. This computational−experimental approach deepens our molecular-level understanding of SEI chemistry by resolving which species form and through which decomposition mechanisms they emerge. Such knowledge provides the foundation necessary to connect electrolyte composition to the resulting SEI components, a critical step toward a more informed electrolyte development in next-generation lithium-based batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Ambiguities in the partial-wave analysis of the photoproduction of pairs of pseudoscalar mesons

Applying the technique of partial-wave analysis, there are cases where more than one set of underlying complex-valued amplitudes can describe the measured observables. These ambiguities can sometimes be resolved using additional information, but assumptions are often required. It is known that the partial-wave analysis of two-pseudoscalar meson systems produced in photoproduction with a linearly polarized photon beam is free from discrete ambiguities stemming from the Barrelet zeros when the nucleon spin is ignored. In this article, we show that continuous ambiguities are possible for certain wave sets, even though the discrete ambiguities do not appear. We also explore ways to resolve these ambiguities and determine the maximal amount of information that can be obtained from analyses that suffer from these continuous ambiguities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Status of the Mast experiment

Many sophisticated mathematical control techniques for flexible structures have been devised. The basic problem is that most of them require a relatively accurate mathematical model of the system under control including the dynamics of both the structure and the control system components. Obtaining such a model for either subsystem traditionally has required great effort including a significant validation step based on test data. Because of the quantum increase in complexity over proven methods, promising techniques for the control of flexible structures must be validated in actual hardware experiments before committing to their use in actual spacecraft missions. The Mast experiment system serves as a focus for such validation. It is the first in a series of experiments under the Control of Flexible Structures (COFS) Program at the NASA Langley Research Center. The Mast experiment is a combination of ground tests, orbital flight test, and analysis of a deployable beam under the COFS program. It provides a vehicle for research in structures, structural dynamics, and control issues.

Hanks, Brantley R.↗
NASA NTRS2005

Bio-Nanobattery Development and Characterization

A bio-nanobattery is an electrical energy storage device that utilizes organic materials and processes on an atomic, or nanometer-scale. The bio-nanobattery under development at NASA s Langley Research Center provides new capabilities for electrical power generation, storage, and distribution as compared to conventional power storage systems. Most currently available electronic systems and devices rely on a single, centralized power source to supply electrical power to a specified location in the circuit. As electronic devices and associated components continue to shrink in size towards the nanometer-scale, a single centralized power source becomes impractical. Small systems, such as these, will require distributed power elements to reduce Joule heating, to minimize wiring quantities, and to allow autonomous operation of the various functions performed by the circuit. Our research involves the development and characterization of a bio-nanobattery using ferritins reconstituted with both an iron core (Fe-ferritin) and a cobalt core (Co-ferritin). Synthesis and characterization of the Co-ferritin and Fe-ferritin electrodes were performed, including reducing capability and the half-cell electrical potentials. Electrical output of nearly 0.5 V for the battery cell was measured. Ferritin utilizing other metallic cores were also considered to increase the overall electrical output. Two dimensional ferritin arrays were produced on various substrates to demonstrate the feasibility of a thin-film nano-scaled power storage system for distributed power storage applications. The bio-nanobattery will be ideal for nanometerscaled electronic applications, due to the small size, high energy density, and flexible thin-film structure. A five-cell demonstration article was produced for concept verification and bio-nanobattery characterization. Challenges to be addressed include the development of a multi-layered thin-film, increasing the energy density, dry-cell bionanobattery development, and selection of ferritin core materials to allow the broadest range of applications. The potential applications for the distributed power system include autonomously-operating intelligent chips, flexible thin-film electronic circuits, nanoelectromechanical systems (NEMS), ultra-high density data storage devices, nanoelectromagnetics, quantum electronic devices, biochips, nanorobots for medical applications and mechanical nano-fabrication, etc.

King, Glen C.↗
NASA NTRS2014

Line Coupling Effects in the Isotropic Raman Spectra of N2: A Quantum Calculation at Room Temperature

We present quantum calculations of the relaxation matrix for the Q branch of N2 at room temperature using a recently proposed N2-N2 rigid rotor potential. Close coupling calculations were complemented by coupled states studies at high energies and provide about 10200 two-body state-to state cross sections from which the needed one-body cross-sections may be obtained. For such temperatures, convergence has to be thoroughly analyzed since such conditions are close to the limit of current computational feasibility. This has been done using complementary calculations based on the energy corrected sudden formalism. Agreement of these quantum predictions with experimental data is good, but the main goal of this work is to provide a benchmark relaxation matrix for testing more approximate methods which remain of a great utility for complex molecular systems at room (and higher) temperatures.

nitrogen↗
DOE OSTI2025

Quantum frequency resampling

In signal processing, resampling algorithms can modify the number of resources encoding a collection of data points. Downsampling reduces the cost of storage and communication, while upsampling interpolates new data from limited one, e.g., when resizing a digital image. We present a toolset of quantum algorithms to resample data encoded in the probabilities of a quantum register, using the quantum Fourier transform to adjust the number of high-frequency encoding qubits. We discuss advantage over classical resampling algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1986

A study of Kapton degradation under simulated shuttle environment

A system was developed which employs a source of low energy oxygen ion to simulate the shuttle low Earth orbit environment. This source, together with diagnostic tools including surface analysis ans mass spectroscopic capability, was used to measure the dependence of ion energy of the oxygen induced CO signals from pyrolytic graphite and Kapton. For graphite the CO signal was examined at energies ranging form 4.5 to 465 eV and for Kapton from 4.5 to 188 eV. While the relative quantum yields inferred from the data are reasonably precise, there are large uncertainties in the absolute yields because of the assumptions necessary to covert the measured signal strengths to quantum yields. These assumptions are discussed in detail.

Eck, T. G.↗
NASA NTRS1983

The dissociative recombination of O2(+) - The quantum yield of O(1S) and O(1D)

Data from the visible airglow experiment on the Atmosphere Explorer-E satellite have been used to determine the quantum yield of O(1S) and O(1D) from the dissociative recombination of O2(+). A range of values between 0.09 and 0.23 has been obtained for the quantum yield of O(1S). It is shown that the quantum yield of O(1S) depends on the ratio of electron density to atomic oxygen density. This suggests that the quantum yield of O(1S) may depend on the degree of vibrational excitation of the recombining O2(+). The quantum yield of O(1D) has been measured to be 1.23 + or - 0.42, with no dependence on the electron-oxygen ratio.

Abreu, V. J.↗
DOE OSTI2025

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Microwave, Millimeter, Submillimeter, and Far Infrared Spectral Databases

The spectrum of most known astrophysical molecules is derived from transitions between a few hundred to a few hundred thousand energy levels populated at room temperature. In the microwave and millimeter wave regions. spectroscopy is almost always performed with traditional microwave techniques. In the submillimeter and far infrared microwave technique becomes progressively more technologically challenging and infrared techniques become more widely employed as the wavelength gets shorter. Infrared techniques are typically one to two orders of magnitude less precise but they do generate all the strong features in the spectrum. With microwave technique, it is generally impossible and rarely necessary to measure every single transition of a molecular species, so careful fitting of quantum mechanical Hamiltonians to the transitions measured are required to produce the complete spectral picture of the molecule required by astronomers. The fitting process produces the most precise data possible and is required in the interpret heterodyne observations. The drawback of traditional microwave technique is that precise knowledge of the band origins of low lying excited states is rarely gained. The fitting of data interpolates well for the range of quantum numbers where there is laboratory data, but extrapolation is almost never precise. The majority of high resolution spectroscopic data is millimeter or longer in wavelength and a very limited number of molecules have ever been studied with microwave techniques at wavelengths shorter than 0.3 millimeters. The situation with infrared technique is similarly dire in the submillimeter and far infrared because the black body sources used are competing with a very significant thermal background making the signal to noise poor. Regardless of the technique used the data must be archived in a way useful for the interpretation of observations.

Pearson, J. C.↗
NASA NTRSDate not supplied

Metal Hydroxide and Oxyhydroxide Gas Database

In a high temperature combustion situation such as a gas turbine or rocket engine, combustion products include water vapor. This water vapor reacts with oxides in the hot-gas-path to form volatile hydroxides and oxyhydroxides. The oxides may be structural oxide components or protective oxides on alloys or non-oxide ceramics. In either case, this enhanced volatilization leads to degradation of components. Reliable thermochemical data for many metal hydroxides and oxyhydroxides has not been available. We review a database put together at NASA over many years based on experimental and ab initio computations for thermochemical data of Al, Si, Ti, Cr, Mn, Y, Zr, La, Ta, Gd, and Yb hydroxides and oxyhydroxides. Experimental methods for measuring thermodynamic quantities of metal hydroxides and oxyhydroxides are limited since the required high temperatures and high pressures preclude many conventional methods. Nonetheless, transpiration has proven a valuable tool in our laboratories for the Si-O-H, Cr-O-H, and Ti-O-H systems. Data are analyzed with second and third law methods. These data can be leveraged with quantum chemistry to provide reliable free energy functions for the third law calculation and comparison to the derived enthalpies of formation. Both wave function and DFT methods can be utilized for deriving the thermodynamic functions for the various metal hydroxides and oxyhydroxides. We have found that, in general, reasonable molecular geometries and spectroscopic data can be derived with a relatively low level of theory, i.e. DFT with the B3LYP functional. Accurate calculations of the enthalpy of formation require higher levels of theory, such as the Coupled Cluster, Singles, Doubles, and perturbative Triples CCSD(T) approach with complete basis sets (CBS). Also, corrections for hindered rotations and anharmonicity are necessary. For some symmetries, the anharmonic correction has proven to be a challenge and we have found that this is only treated properly by certain codes. The database lists the fHo(298), So(298), and Cp in the form Cp = A + BT + CT2 + D/T + E/T2, where A, B, C, D, and E are the fitting constants. Thus, it can be easily used in any of the common computational thermochemistry codes. To date, the database contains 51 gaseous species of the formula MOx(OH)y.

Metal Hydroxides↗
NASA NTRS1987

Primary quantum yields of NO2 photodissociation

The quantum yields of formation of NO, O2, and NO2 loss are measured for NO2 vapor at low pressures (0.13-0.30 torr) irradiated at 334-405 nm wavelengths and temperature in the range 273-370 K in order to study the primary quantum efficiencies of NO2 photodecomposition. The temperature and wavelength dependences of the primary quantum efficiencies are examined. It is observed that the primary quantum efficiencies increase rapidly from near zero at 424 nm to near unity for excitation at wavelengths less than 394 nm. The theory of Pitts et al. (1964) that the energy deficiency for photodissociation of NO2 excited at wavelengths greater than 397.9 nm is due to the rotational and vibrational energy of the NO2 molecules is confirmed by the data. Values for the primary quantum yields of NO2 photodecomposition as a function of wavelength are presented.

Gardner, Edward P.↗
NASA NTRS2024

Determining the Quantum Detection Efficiency of A Soft X-Ray Micro-Channel Plate Detector for the Lunar Mission, LEXI

Micro-channel plate (MCP) detectors have long been a workhorse for space-based x-ray research and are advantageous over other imaging detectors because of their low size, weight and power. The Lunar Environment heliospheric x-ray Imager (LEXI), will utilize a MCP to image Earth’s magnetosphere in soft x-rays from the lunar surface. A critical element for interpreting on-orbit data is to understand the quantum detection efficiency (QDE) of the MCP. LEXI’s MCP is coated with potassium bromide (KBr) to increase the soft x-ray QDE. Historically, few measurements of QDE exist in the soft x-ray band for KBr detectors. This paper reviews the performance of LEXI’s detector, and the QDE experiment procedure conducted at and results from the Advanced Light Source synchrotron soft x-ray beam line (6.3.2) over the energy range 70eV-1300eV. A unique beam line setup was required to limit the photon flux as to not saturate the pores of the MCP or detector signal chain. The experimental results are similar to previous literature, with some caveats unique to this MCP and experimental setup.

X-ray imaging↗
NASA NTRS1993

The Gravity Probe B `Niobium bird' experiment: Verifying the data reduction scheme for estimating the relativistic precession of Earth-orbiting gyroscopes

Gravity Probe B (GP-B) is a relatively gyroscope experiment begun at Stanford University in 1960 and supported by NASA since 1963. This experiment will check, for the first time, the relativistic precession of an Earth-orbiting gyroscope that was predicted by Einstein's General Theory of Relativity, to an accuracy of 1 milliarcsecond per year or better. A drag-free satellite will carry four gyroscopes in a polar orbit to observe their relativistic precession. The primary sensor for measuring the direction of gyroscope spin axis is the SQUID (superconducting quantum interference device) magnetometer. The data reduction scheme designed for the GP-B program processes the signal from the SQUID magnetometer and estimates the relativistic precession rates. We formulated the data reduction scheme and designed the Niobium bird experiment to verify the performance of the data reduction scheme experimentally with an actual SQUID magnetometer within the test loop. This paper reports the results from the first phase of the Niobium bird experiment, which used a commercially available SQUID magnetometer as its primary sensor, and adresses the issues they raised. The first phase resulted in a large, temperature-dependent bias drift in the insensitive design and a temperature regulation scheme.

Uemaatsu, Hirohiko↗
NASA NTRS2024

Modeling Entanglement-Based Quantum Key Distribution for the NASA Quantum Communications Analysis Suite

One of the most practical, and sought after, applications of quantum mechanics in the field of information science is the use of entanglement distribution to communicate quantum information effectively. Similar to the continued improvements of functional quantum computers over the past decade, advances in demonstrations of entanglement distribution over long distances may enable new applications in aeronautics and space communications. The existing NASA Quantum Communications Analysis Suite (NQCAS) software models such applications, but limited experimental data exists to verify the model’s theoretical results. There is, however, a large body of experimental data in the relevant literature for entanglement-based quantum key distribution (QKD). This paper details a Monte Carlo based QKD model that uses NQCAS input parameters to generate an estimated QKD link budget for verification of NQCAS. The model generates link budget statistics like key rates, error rates, and S values that can then be compared to the experimental values in the literature. Preliminary comparisons show many similarities between the simulated and experimental data, supporting the model’s validity. A verified NQCAS model will inform experimental work conducted in Glenn Research Center’s (GRC) NASA Quantum Metrology Laboratory (NQML), supporting the United States Quantum Initiative and potential NASA missions.

NASA Quantum Communications Analysis Suite↗