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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 271 records · Page 15

Quantum algorithms for open lattice field theory

Certain aspects of some unitary quantum systems are well described by evolution via a non-Hermitian effective Hamiltonian, as in the Wigner-Weisskopf theory for spontaneous decay. Conversely, any non-Hermitian Hamiltonian evolution can be accommodated in a corresponding unitary system + environment model via a generalization of Wigner-Weisskopf theory. This demonstrates the physical relevance of novel features such as exceptional points in quantum dynamics, and opens up avenues for studying many-body systems in the complex plane of coupling constants. In the case of lattice field theory, sparsity lends these channels the promise of efficient simulation on standardized quantum hardware. We thus consider quantum operations that correspond to Suzuki-Lie-Trotter approximation of lattice field theories undergoing nonunitary time evolution, with potential applicability to studies of spin or gauge models at finite chemical potential, with topological terms, to quantum phase transitions—a range of models with sign problems. We develop non-Hermitian quantum circuits and explore their promise on a benchmark, the quantum one-dimensional Ising model with complex longitudinal magnetic field, showing that observables can probe the Lee-Yang edge singularity. The development of attractors past critical points in the space of complex couplings indicates a potential for study on near-term noisy hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An end-to-end workflow for executing a classically bootstrapped variational quantum algorithm on an academic quantum computer

Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.

Clifford↗

Quantum graph learning and algorithms applied in quantum computer sciences and image classification

Graph and network theory play a fundamental role in quantum computer sciences, including quantum information and computation. Random graphs and complex network theory are pivotal in predicting novel quantum phenomena, where entangled links are represented by edges. Quantum algorithms have been developed to enhance solutions for various network problems, giving rise to quantum graph computing and quantum graph learning (QGL). Here, in this review, we explore graph theory and graph learning methods as powerful tools for quantum computers to generate efficient solutions to problems beyond the reach of classical systems. We delve into the development of quantum complex network theory and its applications in quantum computation, materials discovery, and research. We also discuss quantum machine learning (QML) methodologies for effective image classification using qubits, quantum gates, and quantum circuits. Additionally, the paper addresses the challenges of QGL and algorithms, emphasizing the steps needed to develop flexible QGL solvers. This review presents a comprehensive overview of the fields of QGL and QML, highlights recent advancements, and identifies opportunities for future research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hybrid algorithm for the time-dependent Hartree–Fock method using the Yang–Baxter equation on quantum computers *

Abstract The time-dependent Hartree–Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree–Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang–Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.

97 MATHEMATICS AND COMPUTING↗

SIRU utilization. Volume 1: Theory, development and test evaluation

The theory, development, and test evaluations of the Strapdown Inertial Reference Unit (SIRU) are discussed. The statistical failure detection and isolation, single position calibration, and self alignment techniques are emphasized. Circuit diagrams of the system components are provided. Mathematical models are developed to show the performance characteristics of the subsystems. Specific areas of the utilization program are identified as: (1) error source propagation characteristics and (2) local level navigation performance demonstrations.

Musoff, H.↗

High dynamic range infrared radiometry and imaging

The use is described of cryogenically cooled, extrinsic silicon infrared detectors in an unconventional mode of operation which offers an unusually large dynamic range. The system performs intensity-to-frequency conversion at the focal plane via simple circuits with very low power consumption. The incident IR intensity controls the repetition rate of short duration output pulses over a pulse rate dynamic range of about 10(6). Theory indicates the possibility of monotonic and approx. linear response over the full dynamic range. A comparison between the theoretical and the experimental results shows that the model provides a reasonably good description of experimental data. Some measurements of survivability with a very intense IR source were made on these devices and found to be very encouraging. Evidence continues to indicate that some variations in interpulse time intervals are deterministic rather than probabilistic.

Coon, Darryl D.↗

Instability of Rock-Salt Cubic NbN in Density Functional Calculations

All-nitride semiconductor/superconductor heterojunctions utilizing cubic niobium nitride (NbN) are a promising approach to superconducting quantum circuits for next-generation quantum-information systems. However, there are fundamental open questions on the atomic structure of NbN. In calculations with several levels of density functional theory (DFT), we find that the cubic rocksalt structure NbN (Fm-3m, 225) is energetically very unstable against the ground state hexagonal NbN in a tungsten carbide (P-6m2, 187) type lattice. To better understand the appearance of a cubic phase in numerous experiments, we perform a DFT study on possible NbN structures, determining the energy ordering between different polymorphs from databases and structure prediction. We perform supercell calculations of disordered NbN, finding that the rocksalt structure is dynamically unstable and relaxes to a lower energy monoclinic phase (C2/m, 12), which retains an approximate average cubic symmetry. However, the associated energy gain is not substantial enough for a plausible explanation for cubic NbN. We further investigate the role of external factors such as in-plane strain during epitaxial growth as well as the presence of off-stoichiometry and impurity doping on the energy ordering.

CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SU↗

Full Counting Statistics of Charge in Chaotic Many-Body Quantum Systems

We investigate the full counting statistics of charge transport in U(1)-symmetric random unitary circuits. We consider an initial mixed state prepared with a chemical potential imbalance between the left and right halves of the system and study the fluctuations of the charge transferred across the central bond in typical circuits. Using an effective replica statistical mechanics model and a mapping onto an emergent classical stochastic process valid at large on-site Hilbert space dimension, we show that charge transfer fluctuations approach those of the symmetric exclusion process at long times, with subleading t –1/2 quantum corrections. Here, we discuss our results in the context of fluctuating hydrodynamics and macroscopic fluctuation theory of classical nonequilibrium systems and check our predictions against direct matrix-product state calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

First-Principles Approach for Assessing Cold Electron Injection Efficiency of Dye-Sensitized Solar Cell: Elucidation of Mechanism of Charge Injection and Recombination

The adequacy of the inclusion of spacer units in the metal-free D-π–A organic dyes pertaining to the augmentation of dye-sensitized solar cell (DSSC) efficiency has been examined through the excited-state simulations of the charge injection and recombination processes at the dye–semiconductor interface. Within the framework of the time-dependent density functional theory, the proposed computational studies focus on the precise evaluation of pivotal factors controlling the rates of photoinduced charge-transfer and energy-transfer processes, including electronic coupling, reorganization energy, and threshold energy barrier in the semiclassical Marcus formalism. The estimation of the fluorescent state appears to be the crucial step while explaining the ultrafast electron injection process and the charge recombination at the Marcus inverted region, as revealed by the obtained results. The retardation of charge recombination is facilitated by the insertion of a thiophene moiety between the π-bridge and the acceptor units. The estimated cold electron injection efficiencies deploying the Onsager–Braun theory, that rely on the computations of cold electron injection lifetime and cold electron lifetime, show a linear correlation with the experimental photovoltaic parameters of the DSSC comprising short-circuit current density, open-circuit voltage, and power conversion efficiency. The outcomes of the present investigation establish a basis for unraveling the mechanism of intricate dynamical processes upon photoexcitation of the sensitizers, as well as devising plausible routes for functional DSSC materials.

14 SOLAR ENERGY↗

Deformed Fredkin model for the ν = 5 / 2 Moore-Read state on thin cylinders

We propose a frustration-free model for the Moore-Read quantum Hall state on sufficiently thin cylinders with circumferences ≲ 7 magnetic lengths. While the Moore-Read Hamiltonian involves complicated long-range interactions between triplets of electrons in a Landau level, our effective model is a simpler one-dimensional chain of qubits with deformed Fredkin gates. We show that the ground state of the Fredkin model has high overlap with the Moore-Read wave function and accurately reproduces the latter's entanglement properties. Moreover, we demonstrate that the model captures the dynamical response of the Moore-Read state to a geometric quench, induced by suddenly changing the anisotropy of the system. We elucidate the underlying mechanism of the quench dynamics and show that it coincides with the linearized bimetric field theory. The minimal model introduced here can be directly implemented as a first step towards quantum simulation of the Moore-Read state, as we demonstrate by deriving an efficient circuit approximation to the ground state and implementing it on an IBM quantum processor. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Notes on implementation of sparsely distributed memory

The Sparsely Distributed Memory (SDM) developed by Kanerva is an unconventional memory design with very interesting and desirable properties. The memory works in a manner that is closely related to modern theories of human memory. The SDM model is discussed in terms of its implementation in hardware. Two appendices discuss the unconventional approaches of the SDM: Appendix A treats a resistive circuit for fast, parallel address decoding; and Appendix B treats a systolic array for high throughput read and write operations.

Keeler, J. D.↗

Loops in 4+1d topological phases

2+1d topological phases are well characterized by the fusion rules and braiding/exchange statistics of fractional point excitations. In 4+1d, some topological phases contain only fractional loop excitations. What kind of loop statistics exist? We study the 4+1d gauge theory with 2-form \mathbb{Z}_2 ℤ 2 gauge field (the loop-only toric code) and find that while braiding statistics between two different types of loops can be nontrivial, the self “exchange” statistics are all trivial. In particular, we show that the electric, magnetic, and dyonic loop excitations in the 4+1d toric code are not distinguished by their self-statistics. They tunnel into each other across 3+1d invertible domain walls which in turn give explicit unitary circuits that map the loop excitations into each other. The SL(2, \mathbb{Z}_2 ℤ 2 ) symmetry that permutes the loops, however, cannot be consistently gauged and we discuss the associated obstruction in the process. Moreover, we discuss a gapless boundary condition dubbed the “fractional Maxwell theory” and show how it can be Higgsed into gapped boundary conditions. We also discuss the generalization of these results from the \mathbb{Z}_2 ℤ 2 gauge group to \mathbb{Z}_N ℤ N .

Chen, Xie↗

Effect of microphase separation on the limiting current density in hybrid organic-inorganic copolymer electrolytes

Hybrid organic-inorganic block copolymer electrolytes are of interest to enable batteries containing lithium metal anodes. The conductive block is a standard polymer electrolyte of poly(ethylene oxide) and the mechanically rigid block is an inorganic poly(acryloisobutyl polyhedral oligomeric silsesquioxane) polymer. Here, in this paper, we compare a poly(acryloisobutyl polyhedral oligomeric silsesquioxane)-b-poly(ethylene oxide)-b-poly(acryloisobutyl polyhedral oligomeric silsesquioxane) (POSS-PEO-POSS) triblock copolymer and a poly(ethylene oxide)-b- poly(acryloisobutyl polyhedral oligomeric silsesquioxane) (PEO-POSS) diblock copolymer mixed with lithium bis(trifluoromethanesulfonyl)imide salt. We have experimentally measured the limiting current density in lithium symmetric cells containing hybrid organic-inorganic electrolytes at 90 °C. The cells were polarized at a large range of applied current density. The diblock copolymer electrolyte exhibited a clear plateau in cell potential at all current densities below the limiting current density. At low applied current density, the triblock copolymer electrolyte also exhibited a clear plateau in cell potential. At currents approaching the limiting current density, the triblock copolymer electrolyte exhibited an underdamped potential profile. The cell potential did not reach a plateau at current densities above the limiting current in both systems. The diblock and triblock copolymer electrolytes were fully characterized using electrochemical methods to determine the ionic conductivity, cation current fraction, salt diffusion coefficient, and open circuit voltage as a function of salt concentration. Cell potential and salt concentration as functions of position in the cell at various current densities were calculated using Newman's concentrated solution theory. The theoretical limiting current density was calculated to be the current density at which salt is depleted at the cathode. We see quantitative agreement between experimental measurements and theoretical predictions for the limiting current density in the diblock copolymer electrolyte which has an ordered structure at all salt concentrations, while the experimental limiting current density is lower than the theoretical prediction for the triblock copolymer electrolyte, which exhibits a disordered morphology at high salt concentrations.

25 ENERGY STORAGE↗

Biaxial Tensile Strain Enhances Electron Mobility of Monolayer Transition Metal Dichalcogenides

Strain engineering can modulate the material properties of two-dimensional (2D) sem- iconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron mobility of monolayer MoS 2 , a 2D semiconductor, but the effects of biaxial strain on charge transport are not well-understood in 2D semiconductors. Here, we use biaxial tensile strain on flexible substrates to probe the electron mobility in monolayer WS 2 and MoS 2 transistors. Further, this approach experimentally achieves ~2× higher on-state current and mobility with ~0.3% applied biaxial strain in WS 2 , the highest mobility improvement at the lowest strain reported to date. We also examine the mechanisms behind this improvement through density functional theory simulations, concluding that the enhancement is primarily due to reduced intervalley electron-phonon scattering. These results underscore the role of strain engineering 2D semiconductors for flexible electronics, sensors, integrated circuits, and other opto-electronic applications.

2D materials↗

Micro Acoustic Resonant Chambers for Heating/Agitating/Mixing (MARCHAM)

A variety of applications require the mixing and/or heating of a slurry made from a powder/fluid mixture. One of these applications, Sub Critical Water Extraction (SCWE), is a process where water and an environmental powder sample (sieved soil, drill cuttings, etc.) are heated in a sealed chamber to temperatures greater than 200 degrees Celsius by allowing the pressure to increase, but without reaching the critical point of water. At these temperatures, the ability of water to extract organics from solid particulate increases drastically. This paper describes the modeling and experimentation on the use of an acoustic resonant chamber which is part of an amino acid detection instrument called Astrobionibbler [Noell et al. 2014, 2015]. In this instrument we use acoustics to excite a fluid- solid fines mixture in different frequency/Amplitude regimes to accomplish a variety of sample processing tasks. Driving the acoustic resonant chamber at lower frequencies can create circulation patterns in the fluid and mixes the liquid and fines, while driving the chamber at higher frequencies one can agitate the fluid and powder and create a suspension. If one then drives the chamber at high amplitude at resonance heating of the slurry occurs. In the mixing and agitating cell the particle levitation force depends on the relative densities and compressibility’s of the particulate and fluid and on the kinetic and potential energy densities associated with the velocity and pressure fields [Glynne-Jones, Boltryk and Hill 2012] in the cell. When heating, the piezoelectric transducer and chamber is driven at high power in resonance where the solid/fines region is modelled as acoustic transmission line with a large loss component. In this regime, heat is pumped into the solution/fines mixture and rapidly heats the sample. We have modeled the piezoelectric transducer/chamber/ sample using Mason’s equivalent circuit. In order to assess the validity of the model we have built and tested a variety of chambers. This paper describes the experimental results which are in general agreement with theory within the limitations of the modeling.

fluid particle interaction↗

Design and Testing of a Hard-Fault Protection Circuit for a 1 kV SiC MOSFET Inverter

Due to increasingly high DC link voltages and further advancements in the current density of silicon carbide (SiC) MOSFETs, it has become evident that conventional IGBT protection methods are not sufficient to prevent exceeding the current rating of these devices during low-inductance fault events. This paper explores the use of an air core Rogowski coil topology to mitigate these hard fault events. The design of this circuit resulted in safe shutdown of a low impedance phase-to-phase fault in under one microsecond, tested up to DC link voltages of 1 kV. This paper details the theory, design, simulation, and successful test results of this method.

hard fault protection↗

Communications and networks

Communications and networks - pulse amplitude modulation, multipliers, photoformer, and sequential circuits

NETWORK↗