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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Coherence-Induced Deep Thermalization Transition in Random Permutation Quantum Dynamics

We report a phase transition in the projected ensemble—the collection of postmeasurement wave functions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermalization, where the projected ensemble is distributed over Hilbert space in a maximally entropic fashion (Haar random), from a phase where it is minimally entropic (“classical bit-string ensemble”). Crucially, this deep thermalization transition is invisible to the subsystem’s density matrix, which always exhibits thermalization to infinite temperature across the phase diagram. Through a combination of analytical arguments and numerical simulations, we show that the transition is tuned by the total amount of injected by the input state and the measurement basis, and is exhibited robustly across different microscopic models. Our findings represent a novel form of ergodicity-breaking universality in quantum many-body dynamics, characterized not by a failure of regular thermalization, but rather by a failure of deep thermalization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Asymptotic reversibility of thermal operations for interacting quantum spin systems via generalized quantum Stein’s lemma

Abstract For quantum spin systems in any spatial dimension with a local, translation-invariant Hamiltonian, we prove that asymptotic state convertibility from a quantum state to another one by a thermodynamically feasible class of quantum dynamics, called thermal operations, is completely characterized by the Kullback–Leibler (KL) divergence rate, if the state is translation-invariant and spatially ergodic. Our proof consists of two parts and is phrased in terms of a branch of the quantum information theory called the resource theory. First, we prove that any states, for which the min and max Rényi divergences collapse approximately to a single value, can be approximately reversibly converted into one another by thermal operations with the aid of a small source of quantum coherence. Second, we prove that these divergences collapse asymptotically to the KL divergence rate for any translation-invariant ergodic state. We show this via a generalization of the quantum Stein’s lemma for quantum hypothesis testing beyond independent and identically distributed situations. Our result implies that the KL divergence rate serves as a thermodynamic potential that provides a complete characterization of thermodynamic convertibility of ergodic states of quantum many-body systems in the thermodynamic limit, including out-of-equilibrium and fully quantum situations.

Physics↗
DOE OSTI2020

Fractionalized Excitations Revealed by Entanglement Entropy

Fractionalized excitations develop in many unusual many-body states such as quantum spin liquids, disordered phases that cannot be described using any local order parameter. Also, because these exotic excitations correspond to emergent degrees of freedom, how to probe them and establish their existence is a long-standing challenge. We present a general procedure to reveal the fractionalized excitations using real-space entanglement entropy in critical spin liquids that are particularly relevant to experiments. Furthermore, we show how to use the entanglement entropy to construct the corresponding spinon Fermi surface. Our work defines a new pathway to establish and characterize exotic excitations in novel quantum phases of matter.

2-dimensional systems↗
DOE OSTI2024

Zero and Finite Temperature Quantum Simulations Powered by Quantum Magic

We introduce a quantum information theory-inspired method to improve the characterization of many-body Hamiltonians on near-term quantum devices. We design a new class of similarity transformations that, when applied as a preprocessing step, can substantially simplify a Hamiltonian for subsequent analysis on quantum hardware. By design, these transformations can be identified and applied efficiently using purely classical resources. In practice, these transformations allow us to shorten requisite physical circuit-depths, overcoming constraints imposed by imperfect near-term hardware. Importantly, the quality of our transformations is t u n a b l e : we define a 'ladder' of transformations that yields increasingly simple Hamiltonians at the cost of more classical computation. Using quantum chemistry as a benchmark application, we demonstrate that our protocol leads to significant performance improvements for zero and finite temperature free energy calculations on both digital and analog quantum hardware. Specifically, our energy estimates not only outperform traditional Hartree-Fock solutions, but this performance gap also consistently widens as we tune up the quality of our transformations. In short, our quantum information-based approach opens promising new pathways to realizing useful and feasible quantum chemistry algorithms on near-term hardware.

Physics↗
DOE OSTI2020

Thermodynamics of rotating quantum matter in the virial expansion

We characterize the high-temperature thermodynamics of rotating bosons and fermions in two-dimensional (2D) and three-dimensional (3D) isotropic harmonic trapping potentials. In this work, we begin by calculating analytically the conventional virial coefficients $b_n$ for all $\textit{n}$ in the noninteracting case, as functions of the trapping and rotational frequencies. We also report on the virial coefficients for the angular momentum and associated moment of inertia. Using the $b_n$ coefficients, we analyze the deconfined limit (in which the angular frequency matches the trapping frequency) and derive explicitly the limiting form of the partition function, showing from the thermodynamic standpoint how both the 2D and 3D cases become effectively homogeneous 2D systems. To tackle the virial coefficients in the presence of weak interactions, we implement a coarse temporal lattice approximation and obtain virial coefficients up to third order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

Quantum Computation Using Optically Coupled Quantum Dot Arrays

A solid state model for quantum computation has potential advantages in terms of the ease of fabrication, characterization, and integration. The fundamental requirements for a quantum computer involve the realization of basic processing units (qubits), and a scheme for controlled switching and coupling among the qubits, which enables one to perform controlled operations on qubits. We propose a model for quantum computation based on optically coupled quantum dot arrays, which is computationally similar to the atomic model proposed by Cirac and Zoller. In this model, individual qubits are comprised of two coupled quantum dots, and an array of these basic units is placed in an optical cavity. Switching among the states of the individual units is done by controlled laser pulses via near field interaction using the NSOM technology. Controlled rotations involving two or more qubits are performed via common cavity mode photon. We have calculated critical times, including the spontaneous emission and switching times, and show that they are comparable to the best times projected for other proposed models of quantum computation. We have also shown the feasibility of accessing individual quantum dots using the NSOM technology by calculating the photon density at the tip, and estimating the power necessary to perform the basic controlled operations. We are currently in the process of estimating the decoherence times for this system; however, we have formulated initial arguments which seem to indicate that the decoherence times will be comparable, if not longer, than many other proposed models.

Pradhan, Prabhakar↗
NASA NTRS1990

Tunable quantum well infrared detector

A novel infrared detector (20, 20', 20), is provided, which is characterized by photon-assisted resonant tunneling between adjacent quantum wells (22a, 22b) separated by barrier layers (28) in an intrinsic semiconductor layer (24) formed on an n.sup.+ substrate (26), wherein the resonance is electrically tunable over a wide band of wavelengths in the near to long infrared region. An n.sup.+ contacting layer (34) is formed over the intrinsic layer and the substrate is n.sup.+ doped to provide contact to the quantum wells. The detector permits fabrication of arrays (30) (one-dimensional and two-dimensional) for use in imaging and spectroscopy applications.

Maserjian, Joseph↗
DOE OSTI2025

Structure of Novel Phosphonium-Based Ionic Liquids with S and O Substitutions from Experiments and a Mixed Quantum-Classical Approach

This article presents experimental characterization information and synchrotron X-ray scattering measurements on a set of novel O- and S-substituted phosphonium-based ionic liquids (ILs) all coupled with the bis(fluorosulfonyl)imide (FSI-) anion. The ILs include the ethoxyethyltriethylphosphonium (P 222(2O2) + ) and triethyl[2-(ethylthio)ethyl]phosphonium (P 222(2S2) + ) cations, and we contrast results on these with those for unsubstituted triethylpentylphosphonium (P 2225 + ). The article also introduces a physics-based protocol that combines classical force field studies on larger simulation boxes with classical and first-principles studies on smaller boxes. The method produces significantly improved S(q) functions in the regime which in prior publications we have associated with inter- and intraionic adjacency correlations. By understanding which shorter-range structural changes improve S(q) in the q-regime of interest, we are also able to pinpoint specific deficiencies in the classical force field model. The approach we take should be quite general and could help study other complex liquids on different length scales.

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

Quantum Spin Hall Edge States and Interlayer Coupling in Twisted Bilayer WTe 2

The quantum spin Hall (QSH) effect, characterized by topologically protected spin-polarized edge states, was recently demonstrated in monolayers of the transition metal dichalcogenide (TMD) WTe 2 . However, the robustness of this topological protection remains largely unexplored in van der Waals heterostructures containing one or more layers of a QSH insulator. Here, we use scanning tunneling microscopy and spectroscopy (STM/STS) to explore the topological nature of twisted bilayer (tBL) WTe 2 . Furthermore, at the tBL edges, we observe the characteristic spectroscopic signatures of the QSH edge states. For small twist angles, a rectangular moiré pattern develops, which results in local modifications of the band structure. Using first-principles calculations, we quantify the interactions in tBL WTe 2 and its topological edge states as a function of interlayer distance and conclude that it is possible to engineer the topology of WTe 2 bilayers via the twist angle as well as interlayer interactions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Gauging anomalous unitary operators

Boundary theories of static bulk topological phases of matter are obstructed in the sense that they cannot be realized on their own as isolated systems. The obstruction can be quantified/characterized by quantum anomalies, in particular when there is a global symmetry. Similarly, topological Floquet evolutions can realize obstructed unitary operators at their boundaries. In this paper, we discuss the characterization of such obstructions by using quantum anomalies. As a particular example, here we discuss time-reversal symmetric boundary unitary operators in one and two spatial dimensions, where the anomaly emerges as we gauge the so-called Kubo-Martin-Schwinger (KMS) symmetry. We also discuss mixed anomalies between particle number conserving U(1) symmetry and discrete symmetries, such as C and CP, for unitary operators in odd spatial dimensions that can be realized at the boundaries of topological Floquet systems in even spatial dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Entanglement Structure of Non-Gaussian States and How to Measure It

Rapidly growing capabilities of quantum simulators to probe quantum many-body phenomena require new methods to characterize increasingly complex states. Here, we present a protocol that constrains quantum states using experimentally measured correlation functions. This method enables measurement of a quantum state’s entanglement structure, opening a new route to study entanglement-related phenomena. Our approach extends Gaussian state parameterizations by systematically incorporating higher-order correlations. We show the protocol’s usefulness in conjunction with current and forthcoming experimental capabilities, focusing on weakly interacting fermions as a proof of concept. Here, the lowest nontrivial expansion quantitatively predicts early time thermalization dynamics, including signaling the onset of quantum chaos indicated by the entanglement Hamiltonian.

Fermi gases↗
DOE OSTI2023

Final Report

This project focused on investigating the prospects of two-dimensional (2D) materials, transition metal dichalcogenides (TMDs) and graphene, for developing nanostructures that are potentially useful for quantum science. These materials class exhibit a range of fascinating electronic and optical properties and, due to their sub-nanometer thickness, are particularly well suited for confining electronic quantum states in atomic-size structures. The project involved developing first-principles calculations that can predict coherent lifetimes of defects; theoretical schemes for identifying new platforms suitable for studying the dynamics of driven quantum systems; and optical and electronic spectroscopy characterization of novel defects and heterostructures with the aim of creating the next generation of materials for quantum science. This report provides a brief background into the project, highlights some of the major achievements accomplished within the projects and lists the supported publications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Edge Channel Transmission through a Quantum Point Contact in the Two-Dimensional Topological Insulator Cadmium Arsenide

Cadmium arsenide (Cd 3 As 2 ) thin films feature a two-dimensional topological insulator (2D TI) phase for certain thicknesses, which theoretically hosts a set of counterpropagating helical edge states that are characteristic of a quantum spin Hall (QSH) insulator. In devices containing electrostatically defined junctions and for magnetic fields below a critical value, chiral edge modes of the quantum Hall effect can coexist with QSH-like edge modes. In this work, we use a quantum point contact (QPC) device to characterize edge modes in the 2D TI phase of Cd 3 As 2 and to understand how they can be controllably transmitted, which is important for use in future quantum interference devices. We investigate equilibration among both types of modes and find non-spin-selective equilibration. We also demonstrate the effect of the magnetic field on suppressing equilibration. We discuss the potential role of QSH-like modes in a transmission pathway that precludes full pinch-off.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Enhancement in electro-optic performance of InAlGaAs/GaAs quantum dot lasers by ex situ thermal annealing

Here, this Letter reports the growth, fabrication, and characterization of molecular beam epitaxy (MBE)-grown quaternary InAlGaAs/GaAs quantum dot (QD) lasers emitting at sub-900 nm. The presence of Al in QD-based active regions acts as the origin of defects and non-radiative recombination centers. Applying optimized thermal annealing annihilates the defects in p-i-n diodes, thus lowering the reverse leakage current by six orders of magnitude compared to as-grown devices. A systematic improvement in the optical properties of the devices is also observed in the laser devices with increasing annealing time. At an annealing temperature of 700°C for 180 s, Fabry–Pérot lasers exhibit a lower pulsed threshold current density at infinite length of 570 A/cm 2 .

42 ENGINEERING↗
DOE OSTI2023

Exchange-Biased Quantum Anomalous Hall Effect

The quantum anomalous Hall (QAH) effect is characterized by a dissipationless chiral edge state with a quantized Hall resistance at zero magnetic field. Manipulating the QAH state is of great importance in both the understanding of topological quantum physics and the implementation of dissipationless electronics. Here, the QAH effect is realized in the magnetic topological insulator Cr-doped (Bi,Sb) 2 Te 3 (CBST) grown on an uncompensated antiferromagnetic insulator Al-doped Cr 2 O 3 . Through polarized neutron reflectometry (PNR), a strong exchange coupling is found between CBST and Al-Cr 2 O 3 surface spins fixing interfacial magnetic moments perpendicular to the film plane. Further, the interfacial coupling results in an exchange-biased QAH effect. This study further demonstrates that the magnitude and sign of the exchange bias can be effectively controlled using a field training process to set the magnetization of the Al-Cr 2 O 3 layer. It demonstrates the use of the exchange bias effect to effectively manipulate the QAH state, opening new possibilities in QAH-based spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering

Abstract Characterizing and controlling entanglement in quantum materials is crucial for the development of next-generation quantum technologies. However, defining a quantifiable figure of merit for entanglement in macroscopic solids is theoretically and experimentally challenging. At equilibrium the presence of entanglement can be diagnosed by extracting entanglement witnesses from spectroscopic observables and a nonequilibrium extension of this method could lead to the discovery of novel dynamical phenomena. Here, we propose a systematic approach to quantify the time-dependent quantum Fisher information and entanglement depth of transient states of quantum materials with time-resolved resonant inelastic x-ray scattering. Using a quarter-filled extended Hubbard model as an example, we benchmark the efficiency of this approach and predict a light-enhanced many-body entanglement due to the proximity to a phase boundary. Our work sets the stage for experimentally witnessing and controlling entanglement in light-driven quantum materials via ultrafast spectroscopic measurements.

36 MATERIALS SCIENCE↗