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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 OSTI2023

2022 Quantum Materials Young Investigators Workshop Report

The fifth edition of the workshop “Quantum Materials Young Investigators” was held August 18-19, 2022 at the Oak Ridge National Laboratory (ORNL). This workshop followed up on previous meetings that took place at ORNL starting in 2016. This important series of annual workshops, organized by Adam Aczel and Stuart Calder, ensures continuous engagement with the early career principal investigators (PIs) of the quantum materials neutron scattering community. Through a series of short scientific talks presented by the external PIs, members of the Neutron Scattering Division (NSD) learn about their scientific interests and needs. Presentations from ORNL staff members also help to inform the external PIs about the current state of ORNL’s quantum materials neutron scattering program. Topics covered include neutron scattering instruments, sample environment, neutron polarization, data reduction, visualization, and analysis, and future neutron scattering and complementary capabilities. Feedback is solicited from the external PIs in some or all of these key areas and communicated to NSD management in the form of a workshop report. This workshop series also helps to foster collaborations between NSD scientists and the research groups of the external PIs and plays an important role in attracting new neutron scattering users.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reinforcement learning pulses for transmon qubit entangling gates

The utility of a quantum computer is highly dependent on the ability to reliably perform accurate quantum logic operations. For finding optimal control solutions, it is of particular interest to explore model-free approaches, since their quality is not constrained by the limited accuracy of theoretical models for the quantum processor—in contrast to many established gate implementation strategies. In this work, we utilize a continuous control reinforcement learning algorithm to design entangling two-qubit gates for superconducting qubits; specifically, our agent constructs cross-resonance and CNOT gates without any prior information about the physical system. Using a simulated environment of fixed-frequency fixed-coupling transmon qubits, we demonstrate the capability to generate novel pulse sequences that outperform the standard cross-resonance gates in both fidelity and gate duration, while maintaining a comparable susceptibility to stochastic unitary noise. We further showcase an augmentation in training and input information that allows our agent to adapt its pulse design abilities to drifting hardware characteristics, importantly, with little to no additional optimization. Our results exhibit clearly the advantages of unbiased adaptive-feedback learning-based optimization methods for transmon gate design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics

Practical methods for simulating photo-induced dynamics of molecules often rely on a trajectory-description of the nuclear dynamics, incorporating approximate electron-nuclear feedback. Through approximating electron–nuclear correlation terms in the exact factorization approach, trajectory-based methods have been derived and successfully applied to the dynamics of a variety of light-induced molecular processes, capturing quantum (de)coherence effects rigorously. These terms account for the coupling among the trajectories, recovering the nonlocal nature of quantum nuclear dynamics that is completely overlooked in traditional independent-trajectory algorithms. Nevertheless, some of the approximations introduced in the derivation of some of these methods do not conserve the total energy. We analyze energy conservation in the coupled trajectory mixed quantum-classical (CTMQC) algorithm and explore the performance of a modified algorithm, CTMQC-E, where some of the terms are redefined to restore energy conservation. Here, a set of molecular models is used as a test, namely, 2-cis-penta-2,4-dienimium cation, bis(methylene) adamantyl radical cation, butatriene cation, uracil radical cation, and neutral pyrazine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Comparative Study of Quasi-Particle Burst Events in Transmon Qubits made with Different Materials and Geometries

Superconducting qubits are susceptible to various noise sources, including cosmic rays. ambient gamma and infrared radiation, which can significantly impact their performance. High-energy radiations deposit energy into the qubit substrate, generating high-energy phonons that disrupt Cooper pairs and create quasi-particles (QPs). Infrared photons, on the other hand can directly create QPs. The tunneling of these quasi-particles across Josephson junctions leads to qubit de-excitation and causes relaxation errors. In this study, we utilize a fast feedback mechanism for qubit reset to detect QP burst events with high time resolution [1]. We investigate transmon qubits fabricated with different encapsulations [2], geometries, and substrates at the above-ground laboratory of the Superconducting Quantum Materials and Systems (SQMS) center at Fermilab. Our preliminary results are presented, with discussions on their implications for the performance of modern quantum hardware. [1] Dominicis and Roy et al.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

How Do You Hear a Quantum Computer Whisper?

Quantum transduction is the process of upconverting microwave quantum signals into optical signals to develop quantum networks through optical fibers outside the dilution refrigerator, enabling connections between quantum technologies on the quantum internet. In this project, upconversion is achieved by directing an optical laser and the microwave quantum signal into an electro-optic bulk crystal. The crystal is housed within a Superconducting Radio Frequency (SRF) cavity designed to maximize the overlap between the microwave field and the crystal volume. In the presence of microwaves, the refractive index of the crystal changes through the Pockels effect. This change in refractive index modifies the propagation of the optical field within the crystal, allowing the quantum information carried by the microwave field to be transferred to the optical field. This study focuses on coupling laser light from suspended waveguide chips into the whispering-gallery modes (WGMs) of the crystal to enable transduction. The coupling efficiency between the optical field in the suspended waveguide and the WGM depends on the position of the laser spot on the crystal. To address this challenge, a feedback-based algorithm is being developed to fine-tune the waveguide position so that the optical signal is coupled efficiently into the crystal. After passing through the crystal, the optical signal is detected by a photodiode connected to an oscilloscope. The algorithm evaluates the coupling quality and iteratively adjusts the waveguide position to maximize coupling efficiency. The expected outcome is an automated waveguide alignment method that improves optical coupling and enables more efficient microwave-to-optical quantum transduction.

Karanastasis, Mihael [Fermilab]↗
DOE OSTI2024

Investigation of cosmic ray impact on transmon qubits with different materials through fast decay detection at Fermilab’s SQMS laboratory

Noise sources affecting superconducting qubits, such as cosmic rays and ambient gamma radiation, have garnered attention for their potential impact. These radiations deposit energy in the qubit's substrate, generating high-energy phonons that break Cooper pairs, leading to the formation of quasi-particles. When these quasi-particles tunnel across Josephson junctions, they induce qubit de-excitation, causing relaxation errors. In this study, we employ a fast feedback mechanism for performing qubit reset to detect decay events with high time resolution. This capability along with frequency multiplexed readout allows us to explore error correlations across time and space. Transmon qubits, manufactured within the Superconducting Quantum Materials and Systems (SQMS) center [1], are investigated at the above-ground lab. We study the impact of cosmic rays on qubits with different encapsulations, geometries, and locations on the same or different chips. We present preliminary findings and discuss the implications for the performance of contemporary quantum hardware.

Roy, Tanay↗
DOE OSTI2023

Coherent Random Lasing in Subwavelength Quasi‐2D Perovskites

Abstract Quasi‐2D lead halide perovskites have garnered increasing interest as lasing gain media. Relatively simple fabrication, high refractive index, and unique quantum well structure encourage their use in traditional cavity lasers and cavity‐free systems called random lasers (RLs). Despite tremendous advances reported thus far, coherent random lasing in quasi‐2D perovskite subwavelength films has not been reported. Consequently, coherent optical feedback mechanisms in quasi‐2D perovskite systems are still unexplored. Here, this work reports the observation of coherent random lasing in subwavelength quasi‐2D perovskite films. Statistical analysis of spectral measurements reveals Lévy‐like intensity fluctuations, replica symmetry breaking confirms random lasing, and the coherent modes are studied with spectral and spatial correlation techniques. The observed coherent lasing modes are found to be extended states that arise from the random crystal grain structure during fabrication and span the entire pump volume. These modes out‐compete diffusive lasing due to their coherence.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Light-induced Kondo-like exciton-spin interaction in neodymium(II) doped hybrid perovskite

Abstract Tuning the properties of a pair of entangled electron and hole in a light-induced exciton is a fundamentally intriguing inquiry for quantum science. Here, using semiconducting hybrid perovskite as an exploratory platform, we discover that Nd 2+ -doped CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite exhibits a Kondo-like exciton-spin interaction under cryogenic and photoexcitation conditions. The feedback to such interaction between excitons in perovskite and the localized spins in Nd 2+ is observed as notably prolonged carrier lifetimes measured by time-resolved photoluminescence, ~10 times to that of pristine MAPbI 3 without Nd 2+ dopant. From a mechanistic standpoint, such extended charge separation states are the consequence of the trap state enabled by the antiferromagnetic exchange interaction between the light-induced exciton and the localized 4 f spins of the Nd 2+ in the proximity. Importantly, this Kondo-like exciton-spin interaction can be modulated by either increasing Nd 2+ doping concentration that enhances the coupling between the exciton and Nd 2+ 4 f spins as evidenced by elongated carrier lifetime, or by using an external magnetic field that can nullify the spin-dependent exchange interaction therein due to the unified orientations of Nd 2+ spin angular momentum, thereby leading to exciton recombination at the dynamics comparable to pristine MAPbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Implementing a Laser Stabilization System for Trapping Ca+ Ions: an Internship Reflection

At Lawrence Livermore National Laboratory, I contributed to a project developing 3D printed micro ion traps for quantum computing. I designed, implemented, and assessed a laser stabilization system that locked lasers to the frequencies required for calibrating our High Finesse WS8-10 wavelength meter and for laser cooling and trapping of Ca+ ions. I also programmed a Python interface for hardware communication, data collection, and statistical analysis. Additionally, I optimized and aligned laser beam paths, and I implemented a closed digital feedback loop using Proportional, Integral, and Derivative (PID) control parameters. I analyzed both the long-term and short-term behavior of our locked lasers and adjusted PID parameters to enhance performance. Furthermore, I used COMSOL to simulate the capacitance of a linear Paul trap design and predict our trap’s performance. The procedures I developed for the interface, analysis, and simulations will continue to support the ion trapping experiment after my appointment. I strengthened my skills in data analysis, Python coding, and optical alignment for laser systems. My confidence as a researcher grew, particularly in communicating my research. This experience taught me the importance of careful planning and consideration in research and solidified my desire to continue exploring novel quantum technology as an undergraduate

42 ENGINEERING↗
DOE OSTI2023

Frequency combs in optically injected terahertz ring quantum cascade lasers

Quantum cascade lasers (QCLs) have emerged as promising candidates for generating chip-scale frequency combs in mid-infrared and terahertz wavelengths. In this work, we demonstrate frequency comb formation in ring terahertz QCLs using the injection of light from a distributed feedback (DFB) laser. The DFB design frequency is chosen to match the modes of the ring cavity (near 3.3 THz), and light from the DFB is injected into the ring QCL via a bus waveguide. By controlling the power and frequency of the optical injection, we show that combs can be selectively formed and controlled in the ring cavity. Numerical modeling suggests that this comb is primarily frequency-modulated in character, with the injection serving to trigger comb formation. We also show that the ring can be used as a filter to control the output of the DFB QCL, potentially being of interest in terahertz photonic integrated circuits. Our work demonstrates that waveguide couplers are a compelling approach for injecting and extracting radiation from ring terahertz combs and offer exciting possibilities for the generation of new comb states in terahertz, such as frequency-modulated waves, solitons, and more.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Engineering Directionality in Quantum Dot Shell Lasing Using Plasmonic Lattices

In this paper, we report how the direction of quantum dot (QD) lasing can be engineered by exploiting high-symmetry points in plasmonic nanoparticle (NP) lattices. The nanolaser architecture consists of CdSe-CdS core-shell QD layers conformally coated on two-dimensional square arrays of Ag NPs. Using waveguide-surface lattice resonances (W-SLRs) near the Δ point in the Brillouin zone as optical feedback, we achieved lasing from the gain in CdS shells at off-normal emission angles. Changing the periodicity of the plasmonic lattices enables other high-symmetry points (Γ or M) of the lattice to overlap with the QD shell emission, which facilitates tuning of the lasing direction. We also increased the thickness of the QD layer to introduce higher order W-SLR modes with additional avoided crossings in the band structure, which expands the selection of cavity modes for any desired lasing emission angle.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Narrow-bandwidth tunable optical filter stabilized by Newton’s rings fringe analysis

The resolution of grating spectrometers is insufficient to resolve many features present in the emission spectra of solid-state quantum emitters. Spectral resolution may be improved by inserting a Fabry–Perot interferometer (FPI) whose length is tuned by a piezoelectric actuator. Yet piezo creep and thermal fluctuations cause instability that makes this solution unsuitable for measurement times longer than tens of seconds. To overcome this challenge, we employ active feedback derived from the Newton’s rings interference pattern formed by the reflection of a single-frequency laser from the FPI cavity. The resulting FPI transmission frequency is stable to within 50 MHz over several hours.

KC, Raju Bhai (ORCID:0000000267406588)↗
DOE OSTI2023

Deep learning at the edge enables real-time streaming ptychographic imaging

Abstract Coherent imaging techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the construction of brighter sources and high-rate detectors, coherent imaging methods like ptychography are poised to revolutionize nanoscale materials characterization. However, these advancements are accompanied by significant increase in data and compute needs, which precludes real-time imaging, feedback and decision-making capabilities with conventional approaches. Here, we demonstrate a workflow that leverages artificial intelligence at the edge and high-performance computing to enable real-time inversion on X-ray ptychography data streamed directly from a detector at up to 2 kHz. The proposed AI-enabled workflow eliminates the oversampling constraints, allowing low-dose imaging using orders of magnitude less data than required by traditional methods.

36 MATERIALS SCIENCE↗
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 OSTI2022

Second Target Station (STS) Project: Centaur (Technical Report)

CENTAUR will be the flagship general purpose small-angle neutron scattering (SANS) instrument for the Second Target Station of SNS. Based on an optimized and high-performance SANS instrument, it is capable of SANS/wide-angle neutron scattering and diffraction simultaneously filling the capability gap to cover structure scale from atomic scale to hundreds of nanometers for scientific needs ranging from polymers, biology, materials sciences, and quantum condensed matter. Additionally, with a high-speed chopper, it can be used as a direct geometry spectrometer to probe the dynamics in relatively large length-scale structures as an inelastic SANS spectrometer. The technical details of the CENTAUR instrument are presented in this document. As the project progresses, the initial details are subject to change based on feedback.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Feedback between radiation and transport in photovoltaics

By building on the generalized Hovel model, this work develops an analytical solution to unify photon recycling, light trapping, and carrier transport in solar cells. Enhanced transport due to photon recycling diffusion is considered. While photon recycling diffusion is often negligible, it can significantly support transport in cases where charge diffusion is low but radiative efficiency is high. Next, the diffusion equation is solved to determine carrier collection for planar and textured cells. Results elucidate novel features in the external quantum efficiency (EQE) curve that occur for textured cells with high absorption and limited transport. Then, the effect of limited transport on the radiative recombination of solar cells is investigated in detail. While the traditional treatment of detailed balance uses the applied voltage to calculate a cell's radiative recombination, the present approach uses the spatially resolved quasi-Fermi-level splitting (QFLS). Further, the discrepancy between the models is shown to be inconsequential to performance for cells with low radiative recombination (Si) or with high mobilities (lowly doped GaAs). However, for cells with high radiative recombination and low mobility (highly doped GaAs, polycrystalline CdTe, and thin-film perovskites), incorporating variation in QFLS in the determination of radiative recombination can become necessary for accurate photovoltaic modeling.

14 SOLAR ENERGY↗
DOE OSTI2024

Posterior comparison of model dynamics in several hybrid turbulence model forms

Hybrid turbulence models that can accurately reproduce unsteady three-dimensional flow physics across the entire range of grid scales and turbulence dynamics from Reynolds-averaged Navier–Stokes (RANS), through large-eddy simulation (LES), down to direct numerical simulations (DNS) are of increasing interest to the turbulence modeling community. However, despite decades of research and development, the basic tasks of eliminating poor-performing hybrid RANS-LES models and accelerating adoption of superior models through well-designed validation and verification have yet to occur. As a step in this direction, in this work we evaluate thirteen different hybrid RANS-LES models via systematic grid refinement of decaying homogeneous isotropic turbulence. We further derive a novel mathematical framework for assessing the energy partitioning dynamics of each Hybrid RANS-LES model, wherein model-to-model variations in energy partitioning can be interpreted as different feedback mechanisms operating on a low-dimensional nonlinear dynamical system. We found that model forms similar to the flow simulation methodology—also often termed very-large eddy simulation—are dynamically inconsistent with DNS at all resolutions. Additionally, we found a strong dynamical similarity in the feedback mechanisms of all models related to detached eddy simulation and partially averaged Navier–Stokes that is inherent to their general model forms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗