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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum Shells Boost the Optical Gain of Lasing Media

Auger decay of multiple excitons represents one of the main obstacles to photonic applications of semiconductor quantum dots (QDs). These non-radiative processes are particularly detrimental to the performance of QD-based electroluminescent and lasing devices. Here, we demonstrate that by using semiconductor quantum shells with an “inverted” QD geometry, it is possible to inhibit Auger recombination, allowing extraordinary improvements to their multi-exciton characteristics. Additionally, we show that quantum shells result in ultralong biexciton lifetimes (>10 ns), and an associated biexciton quantum yield of up to 81%. Furthermore, the energy-dispersive architecture of quantum shells leads to exciton-exciton repulsion, which splits the single-exciton and bi-exciton optical transitions. In this regime, quantum shells produce the longest optical gain lifetime reported for colloidal QDs to date (> 6 ns) over a broad amplification bandwidth. Therefore, the employment of quantum shells in optically- or electrically-pumped gain media can lead to a substantial improvement in device performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electroluminescence from Single-Walled Carbon Nanotubes with Quantum Defects

Individual single-walled carbon nanotubes with covalent sidewall defects have emerged as a class of photon sources whose photoluminescence spectra can be tailored by the carbon nanotube chirality and the attached functional group/molecule. Here we present electroluminescence spectroscopy data from single-tube devices based on (7, 5) carbon nanotubes, functionalized with dichlorobenzene molecules, and wired to graphene electrodes. We observe electrically generated, defect-induced emissions that are controllable by electrostatic gating and strongly red-shifted compared to emissions from pristine nanotubes. The defect-induced emissions are assigned to excitonic and trionic recombination processes by correlating electroluminescence excitation maps with electrical transport and photoluminescence data. At cryogenic conditions, additional gate-dependent emission lines appear, which are assigned to phonon-assisted hot-exciton electroluminescence from quasi-levels. Similar results were obtained with functionalized (6, 5) nanotubes. We also compare functionalized (7, 5) electroluminescence data with photoluminescence of pristine and functionalized (7, 5) nanotubes redox-doped using gold(III) chloride solution. This work shows that electroluminescence excitation is selective toward neutral defect-state configurations with the lowest transition energy, which in combination with gate-control over neutral versus charged defect-state emission leads to high spectral purity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electron-electron interactions in low-dimensional Si:P delta layers

Scientists have long studied the physics of highly disordered conducting systems, seeking to understand the multitude of quantum phenomena that govern how electrons move through material systems. Recently, research into silicon-based quantum computing has made disordered conducting systems, such as Si:P monolayers embedded in isotopically pure Si, technically relevant. Consequently, applying and advancing the theoretical frameworks developed to describe electron behavior in disordered systems is a necessary objective in this field of research. This study investigates key components of dopant-based Si quantum computing devices: embedded regions of highly doped delta layers (δ layers). We examine the transport behavior and the electron-electron interaction (EEI) physics in embedded Si:P δ layers by means of self-consistent magnetotransport measurements. Parameters associated with the electronic transport offer a meaningful quantitative characterization of δ-layer quality and dopant diffusion. In addition, by examining EEI behaviors in a set of samples with embedded Si:P δ layers produced with different PH3 exposure procedures prior to Si encapsulation, we show how details of material synthesis affect the dimensionality of charge carrier interactions in embedded Si:P δ layers. Furthermore, the relationship between δ-layer confinement and EEI screening lengths is established here. This understanding will help validate important models used for device simulation and design and lead to improvements in the control of electrostatic gating of and tunneling transport through Si:P single atom transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

End-to-end protocol for high-quality quantum approximate optimization algorithm parameters with few shots

The quantum approximate optimization algorithm (QAOA) is a quantum heuristic for combinatorial optimization that has been demonstrated to scale better than state-of-the-art classical solvers for some problems. For a given problem instance, QAOA performance depends crucially on the choice of the parameters. While average-case optimal parameters are available in many cases, meaningful performance gains can be obtained by fine-tuning these parameters for a given instance. This task is especially challenging, however, when the number of circuit executions (shots) is limited. In this work, we develop an end-to-end protocol that combines multiple parameter settings and fine-tuning techniques. We use large-scale numerical experiments to optimize the protocol for the shot-limited setting and observe that optimizers with the simplest internal model (linear) perform best. We implement the optimized pipeline on a trapped-ion processor using up to 32 qubits and 5 QAOA layers, and we demonstrate that the pipeline is robust to small amounts of hardware noise. To the best of our knowledge, these are the largest demonstrations of QAOA parameter fine-tuning on a trapped-ion processor in terms of two-qubit gate count.

quantum algorithms & computation↗
DOE OSTI2026

Scattering phase shift in quantum mechanics on quantum computers

Here, we investigate the feasibility of extracting infinite volume scattering phase shift on quantum computers in a simple one-dimensional quantum mechanical model, using the formalism established in the work by Guo and Gasparian [Phys. Rev. D 108, 074504 (2023)] that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral. The system is first discretized in a finite box with periodic boundary conditions, and the formalism in real time is verified by employing a contact interaction potential with exact solutions. Quantum circuits are then designed and constructed to implement the formalism on current quantum computing architectures. To overcome the fast oscillatory behavior of the integrated correlation functions in real-time simulation, different methods of postdata analysis are proposed and discussed. Test results on IBM hardware show that good agreement can be achieved with two qubits, but complete failure ensues with three qubits due to two-qubit gate operation errors and thermal relaxation errors.

Guo, Peng [Dakota State Univ., Madison, SD (United↗
DOE OSTI2022

Hybridized Methods for Quantum Simulation in the Interaction Picture

Conventional methods of quantum simulation involve trade-offs that limit their applicability to specific contexts where their use is optimal. In particular, the interaction picture simulation has been found to provide substantial asymptotic advantages for some Hamiltonians, but incurs prohibitive constant factors and is incompatible with methods like qubitization. We provide a framework that allows different simulation methods to be hybridized and thereby improve performance for interaction picture simulations over known algorithms. These approaches show asymptotic improvements over the individual methods that comprise them and further make interaction picture simulation methods practical in the near term. Physical applications of these hybridized methods yield a gate complexity scaling as log 2 ⁡ Λ in the electric cutoff Λ for the Schwinger Model and independent of the electron density for collective neutrino oscillations, outperforming the scaling for all current algorithms with these parameters. For the general problem of Hamiltonian simulation subject to dynamical constraints, these methods yield a query complexity independent of the penalty parameter λ used to impose an energy cost on time-evolution into an unphysical subspace.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Autotuning of Double-Dot Devices In Situ with Machine Learning

The current practice of manually tuning quantum dots (QDs) for qubit operation is a relatively time-consuming procedure that is inherently impractical for scaling up and applications. In this work, we report on the in situ implementation of a recently proposed autotuning protocol that combines machine learning (ML) with an optimization routine to navigate the parameter space. In particular, we show that a ML algorithm trained using exclusively simulated data to quantitatively classify the state of a double-QD device can be used to replace human heuristics in the tuning of gate voltages in real devices. Here, we demonstrate active feedback of a functional double-dot device operated at millikelvin temperatures and discuss success rates as a function of the initial conditions and the device performance. Modifications to the training network, fitness function, and optimizer are discussed as a path toward further improvement in the success rate when starting both near and far detuned from the target double-dot range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Dual-rail encoding with superconducting cavities

The design of quantum hardware that reduces and mitigates errors is essential for practical quantum error correction (QEC) and useful quantum computation. To this end, we introduce the circuit-Quantum Electrodynamics (QED) dual-rail qubit in which our physical qubit is encoded in the single-photon subspace, { | 01 〉 , | 10 〉 } , of two superconducting microwave cavities. The dominant photon loss errors can be detected and converted into erasure errors, which are in general much easier to correct. In contrast to linear optics, a circuit-QED implementation of the dual-rail code offers unique capabilities. Using just one additional transmon ancilla per dual-rail qubit, we describe how to perform a gate-based set of universal operations that includes state preparation, logical readout, and parametrizable single and two-qubit gates. Moreover, first-order hardware errors in the cavities and the transmon can be detected and converted to erasure errors in all operations, leaving background Pauli errors that are orders of magnitude smaller. Hence, the dual-rail cavity qubit exhibits a favorable hierarchy of error rates and is expected to perform well below the relevant QEC thresholds with today’s coherence times.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Nanometer scale nonvolatile memory device and method for storing binary and quantum memory states

Example implementations include an electronic memory device with a metallic layer having a first planar crystalline structure, a first encapsulating layer including an encapsulating material having a second planar crystalline structure, and disposed adjacent to a first planar surface of the metallic layer, and a second encapsulating layer including the encapsulating material, and disposed adjacent to a second planar surface of the metallic layer. Example implementations also include a method of depositing graphite crystals onto a substrate to form a gate bottom layer, depositing BN crystals onto the graphite bottom layer to form a BN bottom layer, depositing tungsten ditelluride (WTe2) crystals onto the BN bottom layer to form a metallic layer, depositing the BN crystals onto the BN bottom layer and the metallic layer to form a BN top layer, and depositing the graphite crystals onto the BN top layer to form a gate top layer.

Xiao, Jun↗
DOE OSTI2023

Confinement-Induced Chiral Edge Channel Interaction in Quantum Anomalous Hall Insulators

In quantum anomalous Hall (QAH) insulators, the interior is insulating but electrons can travel with zero resistance along one-dimensional (1D) conducting paths known as chiral edge channels (CECs). These CECs have been predicted to be confined to the 1D edges and exponentially decay in the two-dimensional (2D) bulk. Here, in this Letter, we present the results of a systematic study of QAH devices fashioned in a Hall bar geometry of different widths under gate voltages. At the charge neutral point, the QAH effect persists in a Hall bar device with a width of only ~7⁢2 nm, implying the intrinsic decaying length of CECs is less than ~3⁢6 nm. In the electron-doped regime, we find that the Hall resistance deviates quickly from the quantized value when the sample width is less than 1 μ⁢m. Our theoretical calculations suggest that the wave function of CEC first decays exponentially and then shows a long tail due to disorder-induced bulk states. Therefore, the deviation from the quantized Hall resistance in narrow QAH samples originates from the interaction between two opposite CECs mediated by disorder-induced bulk states in QAH insulators, consistent with our experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Noise Improvements in Quantum Simulations of sQED using Qutrits

We present an argument for the advantages of using qudits over qubits for scalar Quantum Electrodynamics in $(1+1)$d. We measure the mass gap using an out of time correlator as a function of noise coming from an amplitude damping error channel and a generalized Pauli channel decoherence channel for both qubits and qutrits. For the same error in determination of the mass, the qutrit simulations can tolerate 10 to 100x larger gate noise than a qubit simulations. We find that 20 per-cent accuracy on the mass gap could be possible in the near future with a qutrits but is infeasible using qubits.

Gustafson, Erik↗
DOE OSTI2024

Nearly optimal state preparation for quantum simulations of lattice gauge theories

Here, we present several improvements to the recently developed ground-state preparation algorithm based on the quantum eigenvalue transformation for unitary matrices (QETU), apply this algorithm to a lattice formulation of U(1) gauge theory in (2+1) dimensions, as well as propose an alternative application of QETU, a highly efficient preparation of Gaussian distributions. The QETU technique was originally proposed as an algorithm for nearly optimal ground-state preparation and ground-state energy estimation on early fault-tolerant devices. It uses the time-evolution input model, which can potentially overcome the large overall prefactor in the asymptotic gate cost arising in similar algorithms based on the Hamiltonian input model. We present modifications to the original QETU algorithm that significantly reduce the cost for the cases of both exact and Trotterized implementation of the time evolution circuit. We use QETU to prepare the ground state of a U(1) lattice gauge theory in two spatial dimensions, explore the dependence of computational resources on the desired precision and system parameters, and discuss the applicability of our results to general lattice gauge theories. We also demonstrate how the QETU technique can be utilized for preparing Gaussian distributions and wave packets in a way which outperforms existing algorithms for as little as n q ≳ 2–5 qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Logic operations with active topological defects

Logic operations performed by semiconductor-based transistors are the basis of modern computing. There is considerable interest in creating autonomous materials systems endowed with the capability to make decisions. In this work, we introduce the concept of using topological defects in active matter to perform logic operations. When an extensile active stress in a nematic liquid crystal is turned on, +1/2 defects can self-propel, in analogy to electron transport under a voltage gradient. By relying on hydrodynamic simulations of active nematics, we demonstrate that patterns of activity, when combined with surfaces imparting certain orientations, can be used to control the formation and transport of +1/2 defects. We further show that asymmetric high- and low-activity patterns can be used to create effective defect gates, tunnels, and amplifiers. The proposed active systems offer the potential to perform computations and transmit information in active soft materials, including actin-, tubulin-, and cell-based systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles excitations (UCCSD) VQE ansatz has achieved high accuracy and received a lot of research interest. However, the UCCSD VQE based on fermionic excitations needs extra terms for the parity when using Jordan–Wigner transformation. Here we introduce a new VQE ansatz based on the particle preserving exchange gate to achieve qubit excitations. The proposed VQE ansatz has gate complexity up-bounded to O ( n 4 ) for all-to-all connectivity where n is the number of qubits of the Hamiltonian. Numerical results of simple molecular systems such as BeH 2 , H 2 O, N 2 , H 4 and H 6 using the proposed VQE ansatz gives very accurate results within errors about 10 -3 Hartree.

Physics↗
NASA NTRS2016

Ground Calibration of the Astro-H (Hitomi) Soft X-Ray Spectrometer

The Astro-H (Hitomi) Soft X-ray Spectrometer (SXS) was a pioneering imaging x-ray spectrometer with 5 eV energy resolution at 6 keV. The instrument used a microcalorimeter array at the focus of a high-throughput soft x-ray telescope to enable high-resolution non-dispersive spectroscopy in the soft x-ray waveband (0.3-12 keV). We present the suite of ground calibration measurements acquired from 2012-2015, including characterization of the detector system, anti-coincidence detector, optical blocking filters, and filter-wheel filters. The calibration of the 36-pixel silicon thermistor microcalorimeter array includes parameterizations of the energy gain scale and line spread function for each event grade over a range of instrument operating conditions, as well as quantum efficiency measurements. The x-ray transmission of the set of five Al/polyimide thin-film optical blocking filters mounted inside the SXS dewar has been modeled based on measurements at synchrotron beamlines, including with high spectral resolution at the C, N, O, and Al K-edges. In addition, we present the x-ray transmission of the dewar gate valve and of the filters mounted on the SXS filter wheel (external to the dewar), including beryllium, polyimide, and neutral density filters.

detectors↗
DOE OSTI2024

2D Amorphous Carbon Dielectric Prepared from Solution Precursor for Nanoelectronics

The preparation of amorphous 2D nanodielectrics represents a major challenge due to the metastable nature of amorphous phases. We describe a scalable and solution-based strategy to prepare wafer-scale 2D amorphous carbon with thickness down to 1–2 atomic layers from coal-derived carbon quantum dots as precursors. The prepared atomically thin 2D amorphous carbon can be suspended over cavities as freestanding membranes with high modulus of 400±100 GPa and demonstrate robust dielectric properties with dielectric strength above 20 MV·cm-1 and leakage current density below 10-4 A·cm-2 through a scaled thickness of three-atomic layers. When implemented as ultrathin gate dielectrics in 2D transistors or ion-transport media in memristors, they enable exceptional device performance and spatiotemporal uniformity, resulting from their amorphous form, intrinsic ultrathinness, and 2D atomic structures.

Pham, Viet Hung↗