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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Characterization of suspended membrane waveguides towards a photonic atom trap integrated platform

We demonstrate an optical waveguide device, capable of supporting the high, in-vacuum, optical power necessary for trapping a single atom or a cold atom ensemble with evanescent fields. Our photonic integrated platform, with suspended membrane waveguides, successfully manages optical powers of 6 mW (500 μ m span) to nearly 30 mW (125 μ m span) over an un-tethered waveguide span. This platform is compatible with laser cooling and magneto-optical traps (MOTs) in the vicinity of the suspended waveguide, called the membrane MOT and the needle MOT, a key ingredient for efficient trap loading. We evaluate two novel designs that explore critical thermal management features that enable this large power handling. This work represents a significant step toward an integrated platform for coupling neutral atom quantum systems to photonic and electronic integrated circuits on silicon.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Does a Free Electron Laser Exhibit Non-Standard Statistics? [Slides and Report]

The originally proposed work under this award sought to develop a theoretical basis for previous experimental observations in free-electron laser (FEL) physics involving certain non-classical effects in the light produced by these devices. A sound and valid theoretical interpretation of these experiments would represent a transformational understanding of free-electron lasers, and of electron-photon interactions in general. The specific objective of the completed work, as described in the attached progress report by Jeongwan Park, was to perform a detailed analysis of an experiment by Chen and Madey (Physical Review Letters; volume 86 number 26, 2001) concerning the purported sub-Poissonian photon statistics in an FEL. Since that published work contradicted FEL theory as presently understood, the purpose of the work under the present subcontract was to obtain a better understanding of the quantum nature of the FEL, to investigate the possibility of theoretical and experimental evidence for the non-standard photon statistics of the FEL, and to critically examine the experimental evidence through a re-evaluation of the data analysis of Chen and Madey. The results of this study showed that there were numerous experimental conditions under which the observed photon statistics could be explained by combining both the photon clustering property and the dead-time effect, and consequently, that the observed photon statistics in the Chen-Madey experiment did not require sub-Poissonian photon statistics for their explanation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Thermal conductivity of RHIC superconducting magnet insulation materials at low temperatures

The Electron-Ion Collider (EIC) is planned to be built upon the Relativistic Heavy Ion Collider (RHIC), which vacuum chamber will need to be upgraded to host the EIC hadron beams. For the beam pipe section running through the RHIC superconducting (SC) magnets, the baseline is to insert a screen that will get cooled by thermal contact to the 4.55 K beam pipe of RHIC. Knowing the material properties of the cold mass is thus crucial to understand which is the final temperature that the screen and the superconducting coils in the magnets will reach during the passage of the EIC beams. The thermal conductivities of two insulation materials in the RHIC superconducting magnets and a reference material were measured at cryogenic temperatures at the Magnet Science and Technology division of the National High Magnetic Field Laboratory (NHMFL). The measurements were performed in a Quantum Design physical property measurement system. This report explains the motivation behind this work and summarizes the measurement method and results.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Qudit Designs and Where to Find Them

Unitary t-designs are some of the most versatile tools in quantum information theory. Their applications range from randomized benchmarking and shadow tomography, to more fundamental ones such as emulating quantum chaos and establishing exponential separations between classical and quantum query complexity. While unitary designs originating from a group structure, such as the Clifford group, have proven to be incredibly useful for qubit systems, unfortunately, this is no longer true for qudits. In fact, the classification of finite-group representations rules out the existence of unitary 2-designs for arbitrary qudit dimensions. This severely limits the applicability of standard quantum information primitives when it comes to qudit systems. We overcome these limitations with a three-fold contribution. First, we introduce a general technique to construct families of weighted state t-designs in arbitrary qudit dimensions. These weighted state-designs generalize classical shadow tomography protocol from qubits to qudits. Second, we introduce a Clifford character RB that allows us to benchmark the qudit Clifford group in any dimension, including non-prime-power dimensions. And third, we establish bounds on the quantum circuit complexity of generating approximate unitary-designs from native gates in existing quantum hardware such as high-spin and cavity-QED qudits. Our work further highlights the analogy between spin and optical coherent states by proving that spin-GKP codewords form a state 2-design while spin coherent states do not; in direct analogy with the optical case. This work is structured as a pedagogical and self-contained introduction to unitary designs and their applications to qudit systems.

Anand, Namit [NASA, Ames; Unlisted, US] (ORCID:000↗
DOE OSTI2026

High-Purity Quantum Emission from an Au 24 (S-CH 2 Ph- t Bu) 20 Nanocluster at Room Temperature

Atomically precise gold nanoclusters have garnered significant attention for their diverse applications, ranging from biological labeling to optoelectronics. Their potential in optical quantum computing, which calls for ideal single-photon sources, has recently become a key area of interest. In the current work, we use photon antibunching experiments to explore the single-photon emission efficiency of atomically precise Au 24 nanoclusters protected by 4-tert-butylbenzyl mercaptan ligands (Au 24 (TBBM) 20 ). This cluster exhibits quantum emission with good photostability and without any observable blinking or spectral drift at room temperature under an inert gas atmosphere, with antibunching dips (g 2 (0)) as low as 0.07 in the solid state or, equivalently, a single-photon purity of 93% under time-gated conditions. Transient absorption and time-gated antibunching studies reveal that the short emission lifetime of this cluster and its high photoluminescence quantum yield in the solid state play critical roles in enhancing the emitted single-photon purity. This research advances the understanding of single-emitter behavior in atomically precise gold nanoclusters, contributing to the development of stable quantum emitters that are essential for quantum computing and cryptography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies

Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. In addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Data-driven quantum approximate optimization algorithm for power systems

Abstract Quantum technology provides a ground-breaking methodology to tackle challenging computational issues in power systems. It is especially promising for Distributed Energy Resources (DERs) dominant systems that have been widely developed to promote energy sustainability. In those systems, knowing the maximum sections of power and data delivery is essential for monitoring, operation, and control. However, high computational effort is required. By leveraging quantum resources, Quantum Approximate Optimization Algorithm (QAOA) provides a means to search for these sections efficiently. However, QAOA performance relies heavily on critical parameters, especially for weighted graphs. Here we present a data-driven QAOA, which transfers quasi-optimal parameters between weighted graphs based on the normalized graph density. We verify the strategy with 39,774 expectation value calculations. Without parameter optimization, our data-driven QAOA is comparable with the Goemans-Williamson algorithm. This work advances QAOA and pilots its practical application to power systems in noisy intermediate-scale quantum devices.

Jing, Hang (ORCID:0000000256343489)↗
DOE OSTI2024

Quantum control of exciton wave functions in 2D semiconductors

Excitons—bound electron-hole pairs—play a central role in light-matter interaction phenomena and are crucial for wide-ranging applications from light harvesting and generation to quantum information processing. A long-standing challenge in solid-state optics has been to achieve precise and scalable control over excitonic motion. We present a technique using nanostructured gate electrodes to create tailored potential landscapes for excitons in 2D semiconductors, enabling in situ wave function shaping at the nanoscale. Our approach forms electrostatic traps for excitons in various geometries, such as quantum dots, rings, and arrays thereof. We show independent spectral tuning of spatially separated quantum dots, achieving degeneracy despite material disorder. Owing to the strong light-matter coupling of excitons in 2D semiconductors, we observe unambiguous signatures of confined exciton wave functions in optical reflection and photoluminescence measurements. This work unlocks possibilities for engineering exciton dynamics and interactions at the nanometer scale, with implications for optoelectronic devices, topological photonics, and quantum nonlinear optics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Fully gauge-fixed SU(2) Hamiltonian for quantum simulations

Here, we demonstrate how to construct a fully gauge-fixed lattice Hamiltonian for a pure SU(2) gauge theory. Our work extends upon previous work, where a formulation of an SU(2) lattice gauge theory was developed that is efficient to simulate at all values of the gauge coupling. That formulation utilized maximal-tree gauge, where all local gauge symmetries are fixed and a residual global gauge symmetry remains. By using the geometric picture of an SU(2) lattice gauge theory as a system of rotating rods, we demonstrate how to fix the remaining global gauge symmetry. In particular, the quantum numbers associated with total charge can be isolated by rotating between the lab and body frames using the three Euler angles. The Hilbert space in this new “sequestered” basis partitions cleanly into sectors with differing total angular momentum, which makes gauge-fixing to a particular total charge sector trivial, particularly for the charge-zero sector. In addition to this sequestered basis inheriting the property of being efficient at all values of the coupling, we show that, despite the global nature of the final gauge-fixing procedure, this Hamiltonian can be simulated using quantum resources scaling only polynomially with the lattice volume.

Lattice gauge theory↗
DOE OSTI2026

Buried Dirac Points in Quantum Spin Hall Insulators: Implications for Majorana Kramers Pair-Based Quantum Computing

Quantum spin Hall insulators (QSHIs) host helical electronic edge states that are protected from backscattering due to time-reversal symmetry (TRS). Despite considerable work investigating QSHI edge states, there is still an open question about their unexpected resilience to large magnetic fields where TRS is undoubtedly broken. In this work, we investigate the transport properties of helical edge states in a QSHI-superconductor (QSHI-SC) junction formed by a In⁢As(15 nm)/Ga⁢Sb(5 nm) double quantum well and a superconducting tantalum (Ta) constriction. We observe a robust conductance plateau up to 2 T, signaling resilient edge-state transport. Using a modified Landauer-Büttiker analysis, we find that the zero-field conductance is consistent with 98% Andreev-reflection probability owing to the high transparency of the (In⁢As/Ga⁢Sb)-Ta interface. Such resilience is consistent with the Dirac point for the edge states being buried in the bulk valence band. We further theoretically show that a buried Dirac point does not affect the robustness of the quasi-one-dimensional topological superconducting phase. We find that a buried Dirac point favors the hybridization of Majorana Kramers pairs (MKPs)—predicted to exist in a QSHI-SC constriction—and fermionic modes in the QSHI vacuum edge resulting in extended MKP states, highlighting the subtle role of buried Dirac points in probing MKPs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spatial quantum-interference landscapes of multi-site-controlled quantum dots coupled to extended photonic cavity modes

Abstract A compact platform to integrate emitters in a cavity-like support is to embed quantum dots (QDs) in a photonic crystal (PhC) structure, making them promising candidates for integrated quantum photonic circuits. The emission properties of QDs can be modified by tailored photonic structures, relying on the Purcell effect or strong light-matter interactions. However, the effects of photonic states on spatial features of exciton emissions in these systems are rarely explored. Such effect is difficult to access due to random positions of self-assembled QDs in PhC structures, and the fact that quantum well excitons’ wavefunctions resemble photonic states in a conventional distributed Bragg reflector cavity system. In this work, we instead observe a spatial signature of exciton emission using site-controlled QDs embedded in PhC cavities. In particular, we observe the detuning-dependent spatial repulsion of the QD exciton emissions by polarized imaging of the micro-photoluminescence, dependent on the controlled QD’s position in a spatially extended photonic pattern. The observed effect arises due to the quantum interference between QD decay channel in a spatially-extended cavity mode. Our findings suggest that integration of site-controlled QDs in tailored photonic structures can enable spatially distributed single-photon sources and photon switches.

Physics↗
DOE OSTI2026

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground-state calculations, is underexplored. In this work, we introduce the framework of multiobservable dynamic mode decomposition (MODMD), which combines the observable dynamic mode decomposition (DMD), a measurement-driven eigensolver tailored for near-term implementation, with classical shadow tomography. MODMD leverages random scrambling in the classical shadow technique to construct, with exponentially reduced resource requirements, a signal subspace that encodes rich spectral information. Notably, we replace typical Hadamard-test circuits with a protocol designed to predict low-rank observables, thereby broadening the use of classical shadow tomography for predicting many low-rank observables. We establish theoretical guarantees on the spectral approximation from MODMD, taking into account distinct sources of error. In the ideal case, we prove that the spectral error scales as exp (−Δ⁢𝐸⁢𝑡 max ), where Δ⁢𝐸 is the Hamiltonian spectral gap and 𝑡 max is the maximal simulation time. This analysis provides a rigorous justification of the rapid convergence observed across simulations. To demonstrate the utility of our framework, we consider its application to fundamental tasks, such as determining the low-lying, i.e., ground or excited, energies of representative many-body systems. Our work paves the path for efficient designs of measurement-driven algorithms on near-term and early fault-tolerant quantum devices.

quantum algorithms & computation↗
DOE OSTI2026

Compact representation and long-time extrapolation of real-time data for quantum systems using the ESPRIT algorithm

Representing real-time data as a sum of complex exponentials provides a compact form that enables both denoising and extrapolation. As a fully data-driven method, the Estimation of Signal Parameters via Rotational Invariance Techniques (ESPRIT) algorithm is agnostic to the underlying physical equations, making it broadly applicable to various observables and experimental or numerical setups. In this work, we consider applications of the ESPRIT algorithm primarily to extend real-time dynamical data from simulations of quantum systems. We evaluate ESPRIT's performance in the presence of noise and compare it to other extrapolation methods. We demonstrate its ability to extract information from short-time dynamics to reliably predict long-time behavior and determine the minimum time interval required for accurate results. We discuss how this insight can be leveraged in numerical methods that propagate quantum systems in time, and we show how ESPRIT can predict infinite-time values of dynamical observables, offering a purely data-driven approach to characterizing quantum phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers

Sooting tendencies of a series of nitrogen-containing hydrocarbons (NHCs) have been recently characterized experimentally using the yield sooting index (YSI) methodology. This work aims to identify soot-relevant reaction pathways for three selected C6H15N amines, namely, dipropylamine (DPA), diisopropylamine (DIPA), and 3,3-dimethylbutylamine (DMBA) using ReaxFF molecular dynamics (MD) simulations and quantum mechanical (QM) calculations and to interpret the experimentally observed trends. ReaxFF MD simulations are performed to determine the important intermediate species and radicals involved in the fuel decomposition and soot formation processes. QM calculations are employed to extensively search for chemical reactions involving these species and radicals based on the ReaxFF MD results and also to quantitatively characterize the potential energy surfaces. Specifically, ReaxFF simulations are carried out in the NVT ensemble at 1400, 1600, and 1800 K, where soot has been identified to form in the YSI experiment. These simulations account for the interactions among test fuel molecules and pre-existing radicals and intermediate species generated from rich methane combustion, using a recently proposed simulation framework. ReaxFF simulations predict that the reactivity of the amines decrease in the order DIPA > DPA > DMBA, independent of temperature. Both QM calculations and ReaxFF simulations predict that C2H4, C3H6, and C4H8 are the main nonaromatic soot precursors formed during the decomposition of DPA, DIPA, and DMBA, respectively, and the associated reaction pathways are identified for each amine. Both theoretical methods predict that sooting tendency increases in the order DPA, DIPA, and DMBA, consistent with the experimentally measured trend in YSI. This work demonstrates that sooting tendencies and soot-relevant reaction pathways of fuels with unknown chemical kinetics can be identified efficiently through combined ReaxFF and QM simulations. Overall, predictions from ReaxFF simulations and QM calculations are consistent, in terms of fuel reactivity, major intermediates, and major nonaromatic soot precursors.

fuel decomposition↗
DOE OSTI2021

Gate-free state preparation for fast variational quantum eigensolver simulations

Abstract The variational quantum eigensolver is currently the flagship algorithm for solving electronic structure problems on near-term quantum computers. The algorithm involves implementing a sequence of parameterized gates on quantum hardware to generate a target quantum state, and then measuring the molecular energy. Due to finite coherence times and gate errors, the number of gates that can be implemented remains limited. In this work, we propose an alternative algorithm where device-level pulse shapes are variationally optimized for the state preparation rather than using an abstract-level quantum circuit. In doing so, the coherence time required for the state preparation is drastically reduced. We numerically demonstrate this by directly optimizing pulse shapes which accurately model the dissociation of H 2 and HeH + , and we compute the ground state energy for LiH with four transmons where we see reductions in state preparation times of roughly three orders of magnitude compared to gate-based strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Entropy Measurement of a Strongly Coupled Quantum Dot

The spin 1/2 entropy of electrons trapped in a quantum dot has previously been measured with great accuracy, but the protocol used for that measurement is valid only within a restrictive set of conditions. Here, in this work, we demonstrate a novel entropy measurement protocol that is universal for arbitrary mesoscopic circuits and apply this new approach to measure the entropy of a quantum dot hybridized with a reservoir. The experimental results match closely to numerical renormalization group (NRG) calculations for small and intermediate coupling. For the largest couplings investigated in this Letter, NRG calculations predict a suppression of spin entropy at the charge transition due to the formation of a Kondo singlet, but that suppression is not observed in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Resonant three-wave interactions with linear source/sink terms: Exploring the parameter space

Here, it is shown that the resonance three wave interactions in the presence of linear source/sink terms exhibit a wide variety of time-evolution dynamics, such as exponential growth, limit cycles, and strange attractors. The particular features of the dynamics are determined primarily by the values of linear growth rates, forming a 2D parameter space. An exploration of this parameter space is the main focus of this present work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Nonequilibrium formulation of varying-temperature bit erasure

Landauer's principle states that erasing a bit of information at fixed temperature T costs at least $k$ B $T$ ln 2 units of work. Here we investigate erasure at varying temperature, to which Landauer's result does not apply. Here we formulate bit erasure as a stochastic nonequilibrium process involving a compression of configuration space, with physical and logical states associated in a symmetric way. Erasure starts and ends at temperature T, but temperature can otherwise vary with time in an arbitrary way. Defined in this way, erasure is governed by a set of nonequilibrium fluctuation relations that show that varying-temperature erasure can done with less work than $k$ B $T$ ln 2. As a result, erasure and the complementary process of bit randomization can be combined to form a work-producing engine cycle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗