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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fluctuations in Extractable Work Bound the Charging Power of Quantum Batteries

We study the connection between the charging power of quantum batteries and the fluctuations of the extractable work. We prove that in order to have a non-zero rate of change of the extractable work, the state of the battery cannot be an eigenstate of a ‘free energy operator’, which characterizes the free energy of a system. We do so by proving that fluctuations in the free energy operator upper bound the charging power of a quantum battery. Our findings also suggest that quantum coherence in the battery enhances the charging process, which we illustrate on a toy model of a heat engine.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Indirect Excitons and Trions in MoSe 2 /WSe 2 van der Waals Heterostructures

Indirect excitons (IX) in semiconductor heterostructures are bosons, which can cool below the temperature of quantum degeneracy and can be effectively controlled by voltage and light. In this work, IX quantum Bose gases and IX devices were explored in GaAs heterostructures where an IX range of existence is limited to low temperatures due to low IX binding energies. IXs in van der Waals transition-metal dichalcogenide (TMD) heterostructures are characterized by large binding energies giving the opportunity for exploring excitonic quantum gases and for creating excitonic devices at high temperatures. TMD heterostructures also offer a new platform for studying single-exciton phenomena and few-particle complexes. In this work, we present studies of IXs in MoSe 2 /WSe 2 heterostructures and report on two IX luminescence lines whose energy splitting and temperature dependence identify them as neutral and charged IXs. The experimentally found binding energy of the indirect charged excitons, that is, indirect trions, is close to the calculated binding energy of 28 meV for negative indirect trions in TMD heterostructures. We also report on the realization of IXs with a luminescence line width reaching 4 meV at low temperatures. An enhancement of IX luminescence intensity and the narrow line width are observed in localized spots.

2D materials↗
DOE OSTI2023

Differentiable Quantum Programming with Unbounded Loops

The emergence of variational quantum applications has led to the development of automatic differentiation techniques in quantum computing. Existing work has formulated differentiable quantum programming with bounded loops, providing a framework for scalable gradient calculation by quantum means for training quantum variational applications. However, promising parameterized quantum applications, e.g., quantum walk and unitary implementation, cannot be trained in the existing framework due to the natural involvement of unbounded loops. To fill in the gap, we provide the first differentiable quantum programming framework with unbounded loops, including a newly designed differentiation rule, code transformation, and their correctness proof. Technically, we introduce a randomized estimator for derivatives to deal with the infinite sum in the differentiation of unbounded loops, whose applicability in classical and probabilistic programming is also discussed. We implement our framework with Python and Q# and demonstrate a reasonable sample efficiency. Through extensive case studies, we showcase an exciting application of our framework in automatically identifying close-to-optimal parameters for several parameterized quantum applications.

Computer Science↗
NASA NTRSDate not supplied

Quantum-accelerated Global Constraint Filtering

Motivated by recent advances in quantum algorithms and gate-model quantum computation, we introduce quantum-accelerated filtering algorithms for global constraints in constraint programming. We adapt recent work in quantum algorithms for graph problems and identify quantum subroutines that accelerate the main domain consistency algorithms for the all different constraint and the global cardinality constraint (gcc). The subroutines are based on quantum algorithms for finding maximum matchings and strongly connected components in graphs, and provide speedups over the best classical algorithms. We detail both complete and bounded-probability frameworks for quantum-accelerated global constraint filtering algorithms within backtracking search.

Quantum algorithms↗
DOE OSTI2020

Application of Quantum Computing to Biochemical Systems: A Look to the Future

Chemistry is considered as one of the more promising applications to science of near-term quantum computing. Recent work in transitioning classical algorithms to a quantum computer has led to great strides in improving quantum algorithms and illustrating their quantum advantage. Because of the limitations of near-term quantum computers, the most effective strategies split the work over classical and quantum computers. There is a proven set of methods in computational chemistry and materials physics that has used this same idea of splitting a complex physical system into parts that are treated at different levels of theory to obtain solutions for the complete physical system for which a brute force solution with a single method is not feasible. These methods are variously known as embedding, multi-scale, and fragment techniques and methods. We review these methods and then propose the embedding approach as a method for describing complex biochemical systems, with the parts not only treated with different levels of theory, but computed with hybrid classical and quantum algorithms. Such strategies are critical if one wants to expand the focus to biochemical molecules that contain active regions that cannot be properly explained with traditional algorithms on classical computers. While we do not solve this problem here, we provide an overview of where the field is going to enable such problems to be tackled in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Magnetic hysteresis experiments performed on quantum annealers

While quantum annealers have emerged as versatile and controllable platforms for experimenting on correlated spin systems, the important phenomenology of magnetic memory and hysteresis remain unexplored on hardware designed to escape metastable states via quantum tunneling. Here, we present the first general protocol to experiment on magnetic hysteresis on programmable quantum annealers and implement it on three D-Wave superconducting qubit quantum annealers, using up to thousands of spins, for both ferromagnetic and disordered Ising models, and across different graph topologies. We observe hysteresis loops whose area depends nonmonotonically on quantum fluctuations, exhibiting both expected and unexpected features, such as disorder-induced steps and nonmonotonicities. Our work establishes quantum annealers as a platform for probing nonequilibrium emergent magnetic phenomena, thereby broadening the role of analog quantum computers into foundational questions in condensed matter physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Single-particle digitization strategy for quantum computation of a Φ 4 scalar field theory

Motivated by the parton picture of high-energy quantum chromodynamics, we develop a single-particle digitization strategy for the efficient quantum simulation of relativistic scattering processes in a d + 1-dimensional scalar Φ 4 field theory. Here, we work out quantum algorithms for initial state preparation, time evolution, and final state measurements. We outline a nonperturbative renormalization strategy in this single-particle framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Random matrix theory of the isospectral twirling

We present a systematic construction of probes into the dynamics of isospectral ensembles of Hamiltonians by the notion of Isospectral twirling, expanding the scopes and methods of ref. [1]. The relevant ensembles of Hamiltonians are those defined by salient spectral probability distributions. The Gaussian Unitary Ensembles (GUE) describes a class of quantum chaotic Hamiltonians, while spectra corresponding to the Poisson and Gaussian Diagonal Ensemble (GDE) describe non chaotic, integrable dynamics. We compute the Isospectral twirling of several classes of important quantities in the analysis of quantum many-body systems: Frame potentials, Loschmidt Echos, OTOCs, Entanglement, Tripartite mutual information, coherence, distance to equilibrium states, work in quantum batteries and extension to CP-maps. Moreover, we perform averages in these ensembles by random matrix theory and show how these quantities clearly separate chaotic quantum dynamics from non chaotic ones.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Towards Quantum Gravity in the Lab on Quantum Processors

The holographic principle and its realization in the AdS/CFT correspondence led to unexpected connections between general relativity and quantum information. This set the stage for studying aspects of quantum gravity models, which are otherwise difficult to access, in table-top quantum-computational experiments. Recent works have designed a special teleportation protocol that realizes a surprising communication phenomenon most naturally explained by the physics of a traversable wormhole. In this work, we have carried out quantum experiments based on this protocol on state-of-the-art quantum computers. The target quantum processing units (QPUs) included the Quantinuum's trapped-ion System Model H1-1 and five IBM superconducting QPUs of various architectures, with public and premium user access. We report the observed teleportation signals from these QPUs with the best one reaching 80% of theoretical predictions. We outline the experimental challenges we have faced in the course of implementation, as well as the new theoretical insights into quantum dynamics the work has led to. We also developed QGLab – an open-source end-to-end software solution that facilitates conducting the wormhole-inspired teleportation experiments on state-of-the-art and emergent generations of QPUs supported by the Q i s k i t and t k e t SDKs. We consider our study and deliverables as an early practical step towards the realization of more complex experiments for the indirect probing of quantum gravity in the lab.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Equivalence of quantum barren plateaus to cost concentration and narrow gorges

Optimizing parameterized quantum circuits (PQCs) is the leading approach to make use of near-term quantum computers. However, very little is known about the cost function landscape for PQCs, which hinders progress towards quantum-aware optimizers. In this work, we investigate the connection between three different landscape features that have been observed for PQCs: (1) exponentially vanishing gradients (called barren plateaus (BPs)), (2) exponential cost concentration about the mean, and (3) the exponential narrowness of minima (called narrow gorges). Here we analytically prove that these three phenomena occur together, i.e., when one occurs then so do the other two. A key implication of this result is that one can numerically diagnose BPs via cost differences rather than via the computationally more expensive gradients. More broadly, our work shows that quantum mechanics rules out certain cost landscapes (which otherwise would be mathematically possible), and hence our results could be interesting from a quantum foundations perspective.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantum dynamics of a nucleon in the Fermi accelerator

Highlights: • In nuclear physics, the Fermi accelerator is a coherent open quantum system. • There is not a true equilibrium for a nucleon‘s mean-energy in the Fermi accelerator. • Occupation of higher energy eigen-states remains even after the mean-energy plateaus. • This work paves the way for work on quantum tunnelling in the Fermi accelerator. The quantum dynamics of a particle in a one-dimensional box with an oscillating wall (the Fermi accelerator) is investigated. The model is applied to the motion of a single nucleon in the mean-field potential of a heavy atomic nucleus whose surface vibrates. By directly solving the time-dependent Schrödinger equation, both the state of the particle and its mean-energy are studied. The effects of the frequency of the wall oscillation on the nucleon’s energy are addressed. Its energy oscillates in phase with the moving wall for all frequencies, showing no chaotic behaviour. There is a large initial peak of the nucleon’s energy as the particle adjusts to the sudden change in the size of the box and a varying relaxation time as it plateaus towards lower energy and a partial equilibrium. Small oscillations in energy continue, since there cannot be a true equilibrium while the wall is moving. The quantum coherence between the different parts of the nucleon’s wave-function in real space is very much preserved. This research lays the foundation for future investigations into quantum tunnelling in the Fermi accelerator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Sub‐Diffraction Correlation of Quantum Emitters and Local Strain Fields in Strain‐Engineered WSe 2 Monolayers

Strain-engineering in atomically thin metal dichalcogenides is a useful method for realizing single-photon emitters (SPEs) for quantum technologies. Correlating SPE position with local strain topography is challenging due to localization inaccuracies from the diffraction limit. Currently, SPEs are assumed to be positioned at the highest strained location and are typically identified by randomly screening narrow-linewidth emitters, of which only a few are spectrally pure. In this work, hyperspectral quantum emitter localization microscopy is used to locate 33 SPEs in nanoparticle-strained WSe 2 monolayers with sub-diffraction-limit resolution (≈30 nm) and correlate their positions with the underlying strain field via image registration. In this system, spectrally pure emitters are not concentrated at the highest strain location due to spectral contamination; instead, isolable SPEs are distributed away from points of peak strain with an average displacement of 240 nm. These observations point toward a need for a change in the design rules for strain-engineered SPEs and constitute a key step toward realizing next-generation quantum optical architectures.

2D material↗
NASA NTRS1992

Appendix: Limits on the use of heterodyning and amplification in optical interferometry

The development of optical fibers, lasers, and mixers at optical frequencies has offered the hope that active methods can contribute to optical interferometry. Heterodyning, in particular, looks attractive, even though bandwidths are narrower than one would like at present; one might expect this limitation to lessen as technology develops. That expectation, unfortunately, is not likely to benefit interferometry at optical wavelengths because of the intervention of quantum mechanics and the second law of thermodynamics, as Burke (1985a) pointed out. So much 'second quantization' noise is generated that only at infrared frequencies, somewhere in the 10-100 micron range, can one look forward to heterodyning in any realistic sense. The reason is easily understood. Every amplifier, in the quantum limit, works by stimulated emission, even though this basic truth is not obvious at radio frequencies. This means that there must be spontaneous emission occurring within every amplifier, and Strandberg (1957) showed that this implied a limiting noise temperature, T sub N = h nu/k, for any amplifier. Burke (1969) used this result to demonstrate that, if it were not for this quantum noise, the VLBI method would allow one to tell which slit a photon went through before forming an interference pattern, thus violating basic tenants of quantum mechanics. In essence, the second quantization condition Delta N Delta phi greater than or = 1 saves one from paradox. One can state the conclusion simply: any amplifier produces approximately one photon per Hertz of bandwidth. In optical interferometry, one will certainly want bandwidth in the 10(exp 12) to 10(exp 14) Hz range, and that implies an intolerable cacophony of noise photons. Only at infrared frequencies can one tolerate the quantum noise, where the natural noise background may be high and the mixers are not as efficient as one would hope for. The crossover at present is about 10 or 20 microns, but the boundary will shift to longer wavelengths as noise performance improves. One might guess that ultimately a wavelength of about 100 microns will mark the limit of useful amplification and heterodyning in astronomical aperture synthesis interferometry.

Burke, Bernard F.↗
DOE OSTI2024

Imaging the Meissner effect in hydride superconductors using quantum sensors

By directly altering microscopic interactions, pressure provides a powerful tuning knob for the exploration of condensed phases and geophysical phenomena. Here, the megabar regime represents an interesting frontier, in which recent discoveries include high-temperature superconductors, as well as structural and valence phase transitions. However, at such high pressures, many conventional measurement techniques fail. Here we demonstrate the ability to perform local magnetometry inside a diamond anvil cell with sub-micron spatial resolution at megabar pressures. Our approach uses a shallow layer of nitrogen-vacancy colour centres implanted directly within the anvil; crucially, we choose a crystal cut compatible with the intrinsic symmetries of the nitrogen-vacancy centre to enable functionality at megabar pressures. We apply our technique to characterize a recently discovered hydride superconductor, CeH 9 . By performing simultaneous magnetometry and electrical transport measurements, we observe the dual signatures of superconductivity: diamagnetism characteristic of the Meissner effect and a sharp drop of the resistance to near zero. By locally mapping both the diamagnetic response and flux trapping, we directly image the geometry of superconducting regions, showing marked inhomogeneities at the micron scale. Our work brings quantum sensing to the megabar frontier and enables the closed-loop optimization of superhydride materials synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Solid State Quantum Refrigeration Superconducting, Absorption and Measurement Based (Final Technical Report)

During this DOE grant, DE-SC0017890, in place for the past six years, all proposed research was carried out and published in peer-reviewed papers, as well as other projects that emerged during the research. In that effort the research team accomplished all proposed research, as well as many closely related research projects discovered and conceived of during the grant. These works included “Efficient Quantum Measurement Engines”, a work published in Physical Review Letters, giving a theory of quantum measurement-based engines, which uses quantum measurement as a resource. These engines are designed to efficiently convert energy from the stochastic quantum measurement process into useful work. Further publications include “Experimental Realization of a Quantum Dot Energy Harvester”, a joint theory and experimental work in collaboration with the group of Charles Smith in Cambridge, UK, as well as long time theoretical collaborators, Rafael Sánchez and Björn Sothmann. This work, featured as an Editor’s Suggestion in Physical Review Letters, realized an earlier theoretical proposal of ours, whereby two resonant tunneling quantum dots are connected to a central electronic cavity that is heated by a hot energy source. We also published “Superconducting Quantum Refrigerator: Breaking and Rejoining Cooper Pairs with Magnetic Field Cycles” a work done in collaboration with experimentalist Francesco Giazotto from ENS Pisa, Italy, which also resulted in a patent. This paper, published in Phys. Rev. Applied, advanced the concept of a cyclic fridge based on the normal/superconducting phase transition together with layered materials separated by tunnel junctions. We also completed the proposed research on a heat transistor, publishing “Thermal transistor and thermometer based on Coulomb-coupled conductors”, carried out as a collaboration between my group and theorists Splettstoesser (Lund U., Sweden), Sothmann (U. Duisburg-Essen, Germany), and Sánchez (U. Autónoma de Madrid, Spain). We carried out an analysis of a quantum coupled to a quantum point contact as a sensitive thermometer and heat transistor. We found the optimal statistical estimator for the temperature and compared it with experiments on the same type of devices. We also investigated autonomous quantum absorption refrigerators using quantum dots to cool by using a very hot thermal reservoir to drive heat between two other reservoirs. In the article “Quantifying the quantum heat contribution from a driven superconducting circuit”, we demonstrated that for a driven superconducting circuit, we showed heat flow provided by a hot source to the qubit can be switched on and off by varying external parameters, the frequency and the intensity of the driving. In the work “Stochastic thermodynamic cycles of a mesoscopic thermoelectric engine”, we reconsidered the autonomous thermoelectric heat engine in terms of underlying cycles. Rather than periodic behavior, the cycles were stochastic in nature. Nevertheless, by undertaking a graph theoretical analysis of the elementary transport processed, great quantitative and qualitative insight could be found. We also considered the quantum measurement process and showed that a quantum version of Maxwell’s demon could be related to the work extraction of a quantum system, closely related to arrow-of-time measures for quantum measurement, as described in our article “Thermodynamics of quantum measurement and Maxwell's demon's arrow of time”. This work was selected in Phys. Rev. A as an Editor’s Suggestion. A recent preprint titled “Cyclic Superconducting Quantum Refrigerators Using Guided Fluxon Propagation” accomplished an important piece of this grant: to propose a new kind of quantum refrigerator using the dynamics of fluxons in a type II superconductor. This invention envisioned a race-track type geometry where fluxons are confined. By applying a gradient of magnetic field together with electric current in a Corbino geometry, the circulating fluxons can actively cool a cold reservoir, realizing a new type of cyclic superconducting refrigerator. We also investigated the possibility of thermal control from different points of view. The application of quantum measurement to the system gives a new kind of control on the system of interest – we have pioneered this approach and shown that measurement can boost the thermal power of quantum engines as described in “Continuous measurement boosted adiabatic quantum thermal machines”. The ability to have heat flows on demand is an outstanding challenge, and we have provided new solutions to this problem in Thermal control across a chain of electronic nanocavities” for a chain of electron cavities using gating voltage control. The control methods using qubit/qubit coupling to create absorption fridges at their most fundamental level have also been developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Formation of Phenanthrene via Recombination of Indenyl and Cyclopentadienyl Radicals: A Theoretical Study

This work presents quantum chemical G3(MP2,CC)//B2PLYPD3/6-311G(d,p) calculations of the potential energy surface for the indenyl (C 9 H 7 ) + cyclopentadienyl (C 5 H 5 ) reaction followed by unimolecular decomposition of the C 14 H 11 radicals formed as the primary products, as well as the Rice–Ramsperger–Kassel–Marcus master equation (RRKM-ME) calculations to predict temperature- and pressure-dependent reaction rate constants and product branching ratios. The reaction begins with the barrierless recombination of indenyl and cyclopentadienyl forming a C 14 H 12 molecule with a new C–C bond connecting two five-membered rings, which subsequently dissociates to C 14 H 11 radicals by H losses. The primary products of the C 9 H 7 + C 5 H 5 → C 14 H 11 + H reaction can directly decompose by another H loss to benzofulvalene, and this pathway is most favorable in terms of the entropy factor and hence is preferable at higher temperatures. Otherwise, the initial C 14 H 11 isomers can undergo significant structural rearrangements before eliminating an H atom and producing phenanthrene, anthracene, or benzoazulenes, among which the formation of phenanthrene via the “spiran” pathway is clearly preferred. The calculated barriers along the computed favorable dissociation pathways are relatively low, in the ~30–40 kcal/mol range, making the C 14 H 11 radicals unstable at temperatures above 1000–1250 K at 1 atm. The results of RRKM-ME calculations show that, under typical combustion conditions, the decomposition of the C 14 H 11 radicals predominantly leads to benzofulvalene. However, the latter can be rapidly converted to phenanthrene via H-assisted isomerization with the rate constant for the benzofulvalene + H → phenanthrene + H reaction being close to 10 –11 cm 3 molecule –1 s –1 at 1000–1500 K and 1 atm. Here, the results provide further support for the hypothesis that recombination of two π radicals containing five-membered rings can lead to a growth of PAH with the formation of two fused six-membered rings, but the reaction mechanism may not be direct and is likely to involve two consecutive H atom losses leading to a fulvalene-like product, with subsequent H-assisted isomerization of the latter to a benzenoid PAH.

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

Predicting Flow in Fracture Networks With Quantum Algorithms

Uncertainty quantification plays a crucial role in the modeling of subsurface flow. For instance, uncertainties in the properties of geologic fracture networks significantly impact flow, requiring numerous simulations to accurately estimate quantities of interest. However, each simulation is computationally expensive because it requires solving a large linear system to capture features that involve both small and large fractures. An example is in percolation, where the interaction of many small fractures (which cumulatively can have a large surface area) with the rock matrix must be modeled precisely. Quantum computing is an emerging tool with the potential to address this issue. Quantum algorithms offer a significant speedup in solving linear systems, achieving efficiencies that are challenging to match with classical approaches. These classical approaches include direct solvers, such as LU decomposition, and iterative methods, notably preconditioned conjugate gradient, commonly used in subsurface modeling to solve large sparse systems. However, applying quantum algorithms to geologic fracture flow requires careful attention to algorithmic and problem-specific constraints to fully realize this quantum advantage. In this work we describe a quantum algorithm for generalized Monte Carlo applications with a quadratic speedup over the classical approaches which can be combined with the quantum speedup, currently under investigation, for solving quantum linear systems for subsurface flow. We show that for quantum algorithms the computational cost of estimating a quantity of interest for a statistical ensemble of networks is roughly the same as that of a single realization, essentially implying that one can get uncertainty quantification for free.

58 GEOSCIENCES↗