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Results for “Quantum optimization”

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 1,729 records · Page 96

Development of uncertainty-aware equation-of-state models: Application to copper

Sophisticated hydrodynamic codes are commonly used to understand and predict events relevant to natural and applied sciences. The degree to which these simulations reflect reality, however, is dependent on how well we understand the materials and underlying physics involved. These research communities need material models that communicate the uncertainty in the physical properties, which at their basest form comes from the uncertainty in the underlying experimental measurements. Additionally, we have constructed a new framework for using both experimental measurements and the associated experimental uncertainties to build equation-of-state models that reflect not only current best measurements but also the accuracy of those measurements. This method had been used to construct an ensemble of equation-of-state models for copper that communicates the experimental uncertainties in the data through the equation-of-state model, which is available for application in any simulation metric of interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

VERDI: VERsatile DIffractometer with wide-angle polarization analysis for magnetic structure studies in powders and single crystals

The VERsatile DIffractometer will set a new standard for a world-class magnetic diffractometer with versatility for both powder and single crystal samples and capability for wide-angle polarization analysis. The instrument will utilize a large single-frame bandwidth and will offer high-resolution at low momentum transfers and excellent signal-to-noise ratio. A horizontal elliptical mirror concept with interchangeable guide pieces will provide high flexibility in beam divergence to allow for a high-resolution powder mode, a high-intensity single crystal mode, and a polarized beam option. A major science focus will be quantum materials that exhibit emergent properties arising from collective effects in condensed matter. The unique use of polarized neutrons to isolate the magnetic signature will provide optimal experimental input to state-of-the-art modeling approaches to access detailed insight into local magnetic ordering.

36 MATERIALS SCIENCE↗

How state transitions balance photosynthetic electron transport in plants – a quantitative study

In plants, the process of state transition regulates the allocation of sunlight energy between Photosystem II (PSII) and PSI. However, the implications of state transitions for harmonizing electron transport rates between photosystems, and a full quantitative picture of this process, remain underexplored. We integrated quantitative biology (biochemical and biophysical approaches) with in vivo spectroscopy on wild-type Arabidopsis and protein phosphorylation mutants. This combination facilitated monitoring of Chl redistribution and its functional implications for light harvesting and electron transport. Our findings demonstrate the reallocation of 12% of highly phosphorylated ‘extra’ light-harvesting complex II under state 2 from stacked to unstacked thylakoids. This reduces the number of Chls per PSII from 216 to 182, while increasing the number in PSI from 187 to 223. Such Chl redistribution compensates for differences in photosystem stoichiometry and photochemical quantum efficiencies, thereby precisely synchronizing electron transport rates in both photosystems. Mutant analyses corroborate that this regulatory mechanism involves reversible phosphorylation. We inferred that state transitions optimize linear electron transport, leaving no additional capacity for cyclic electron transport. Furthermore, the results suggest that the controversies about long-range migration of LHCII from stacked to unstacked thylakoid domains arise from differences in phosphorylation levels.

59 BASIC BIOLOGICAL SCIENCES↗

Luminescence of Radachlorin Photosensitizer in Aqueous Solution under Excitation at 405 and 660 nm

Entire luminescence spectrum of a commercial photosensitizer Radachlorin in aqueous solution has been recorded under laser excitation at 660 nm and analyzed. The peak of singlet oxygen phosphorescence at 1274 nm has been observed. The results obtained were compared with those recorded with laser excitation at 405 nm and reported earlier. The comparison showed the similarity of relaxation and luminescence processes occurring in both cases. Effective absorption cross sections were determined at each excitation wavelength, it was also shown that the singlet oxygen quantum yield is independent of photosensitizer concentration. The lifetime of the first excited triplet state in Radachlorin was determined. The results obtained can be used for optimization of the conditions of singlet oxygen generation and detection in solutions and biological samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observational manifestations of black holes in the Horndeski gravity model

The geodesic equations for black hole solutions in the scalar–tensor Horndeski gravity model with non-minimal kinetic coupling have been investigated. The ranges of model parameters admitting the existence of bounded orbits have been determined. Constraints on the model parameters providing agreement of the model with the observational data on the accretion and motion of bodies in the Solar system have been obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The virtual element method for eigenvalue problems with potential terms on polytopic meshes

In this work, we extend the conforming virtual element method (VEM) to the numerical resolution of eigenvalue problems with potential terms on a polytopic mesh. An important application is that of the Schrödinger equation with a pseudopotential term. This model is a fundamental element in the numerical resolution of more complex problems from the Density Functional Theory. The VEM is based on the construction of the discrete bilinear forms of the variational formulation through certain polynomial projection operators that are directly computable from the degrees of freedom. The method shows a great flexibility with respect to the meshes and provides a correct spectral approximation with optimal convergence rates. This point is discussed from both the theoretical and the numerical viewpoint. The performance of the method is numerically investigated by solving the quantum harmonic oscillator problem with the harmonic potential and a singular eigenvalue problem with zero potential for the first eigenvalues.

97 MATHEMATICS AND COMPUTING↗

Sensitivity analysis and multidisciplinary optimization for aircraft design: Recent advances and results

Optimization by decomposition, complex system sensitivity analysis, and a rapid growth of disciplinary sensitivity analysis are some of the recent developments that hold promise of a quantum jump in the support engineers receive from computers in the quantitative aspects of design. Review of the salient points of these techniques is given and illustrated by examples from aircraft design as a process that combines the best of human intellect and computer power to manipulate data.

Sobieszczanski-Sobieski, Jaroslaw↗

Sensitivity analysis and multidisciplinary optimization for aircraft design - Recent advances and results

Optimization by decomposition, complex system sensitivity analysis, and a rapid growth of disciplinary sensitivity analysis are some of the recent developments that hold promise of a quantum jump in the support engineers receive from computers in the quantitative aspects of design. Review of the salient points of these techniques is given and illustrated by examples from aircraft design as a process that combines the best of human intellect and computer power to manipulate data.

Sobieszczanski-Sobieski, Jaroslaw↗

Design and performance of very long-wavelength GaAs/Al(x)Ga(1-x)As quantum-well infrared photodetectors

We present an extensive and detailed study of very long wavelength quantum well infrared photodetectors covering the spectral region between 14 and 20 micrometers. Measurements were made on seven different molecular beam epitaxy grown samples having different well widths and barrier heights. In this study we combine experimental results with theoretical analysis and focus on the relationship between the quantum well structure and detector performance, i.e., responsivity, dark current, dynamic resistance, noise current, optical-gain, and detectivity. These results provide the basis for further optimization, and the detector parameters needed for the design of the readout circuit for focal plane arrays.

Sarusi, G.↗

A stable and accurate partitioned algorithm for conjugate heat transfer

We describe a new partitioned approach for solving conjugate heat transfer (CHT) problems where the governing temperature equations in different material domains are time-stepped in a implicit manner, but where the interface coupling is explicit. The new approach, called the CHAMP scheme (Conjugate Heat transfer Advanced Multi-domain Partitioned), is based on a discretization of the interface coupling conditions using a generalized Robin (mixed) condition. The weights in the Robin condition are determined from the optimization of a condition derived from a local stability analysis of the coupling scheme. The interface treatment combines ideas from optimized-Schwarz methods for domain-decomposition problems together with the interface jump conditions and additional compatibility jump conditions derived from the governing equations. For many problems (i.e. for a wide range of material properties, grid-spacings and time-steps) the CHAMP algorithm is stable and second-order accurate using no sub-time-step iterations (i.e. a single implicit solve of the temperature equation in each domain). In extreme cases (e.g. very fine grids with very large time-steps) it may be necessary to perform one or more sub-iterations. Each sub-iteration generally increases the range of stability substantially and thus one sub-iteration is likely sufficient for the vast majority of practical problems. The CHAMP algorithm is developed first for a model problem and analyzed using normal-mode the- ory. The theory provides a mechanism for choosing optimal parameters in the mixed interface condition. A comparison is made to the classical Dirichlet-Neumann (DN) method and, where applicable, to the optimized- Schwarz (OS) domain-decomposition method. For problems with different thermal conductivities and dif- fusivities, the CHAMP algorithm outperforms the DN scheme. For domain-decomposition problems with uniform conductivities and diffusivities, the CHAMP algorithm performs better than the typical OS scheme with one grid-cell overlap. Lastly, the CHAMP scheme is also developed for general curvilinear grids and CHT ex- amples are presented using composite overset grids that confirm the theory and demonstrate the effectiveness of the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Phonon-based scalable platform for chip-scale quantum computing

Here, we present a scalable phonon-based quantum computer on a phononic crystal platform. Practical schemes involve selective placement of a single acceptor atom in the peak of the strain field in a high-Q phononic crystal cavity that enables coupling of the phonon modes to the energy levels of the atom. We show theoretical optimization of the cavity design and coupling waveguide, along with estimated performance figures of the coupled system. A qubit can be created by entangling a phonon at the resonance frequency of the cavity with the atom states. Qubits based on this half-sound, half-matter quasi-particle, called a phoniton, may outcompete other quantum architectures in terms of combined emission rate, coherence lifetime, and fabrication demands.

97 MATHEMATICS AND COMPUTING↗

Shadow Distillation: Quantum Error Mitigation with Classical Shadows for Near-Term Quantum Processors

Mitigating errors in quantum information processing devices is especially important in the absence of fault tolerance. An effective method in suppressing state-preparation errors is using multiple copies to distill the ideal component from a noisy quantum state. Here, we use classical shadows and randomized measurements to circumvent the need for coherent access to multiple copies at an exponential cost. We study the scaling of resources using numerical simulations and find that the overhead is still favorable compared to full state tomography. We optimize measurement resources under realistic experimental constraints and apply our method to an experiment preparing a Greenberger-Horne-Zeilinger state with trapped ions. In addition to improving stabilizer measurements, the analysis of the improved results reveals the nature of errors affecting the experiment. Hence, our results provide a directly applicable method for mitigating errors in near-term quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Distillation of secret-key from a class of compound memoryless quantum sources

We consider secret-key distillation from tripartite compound classical-quantum-quantum (cqq) sources with free forward public communication under strong security criterion. We design protocols which are universally reliable and secure in this scenario. These are shown to achieve asymptotically optimal rates as long as a certain regularity condition is fulfilled by the set of its generating density matrices. We derive a multi-letter formula which describes the optimal forward secret-key capacity for all compound cqq sources being regular in this sense. We also determine the forward secret-key distillation capacity for situations where the legitimate sending party has perfect knowledge of his/her marginal state deriving from the source statistics. In this case regularity conditions can be dropped. Our results show that the capacities with and without the mentioned kind of state knowledge are equal as long as the source is generated by a regular set of density matrices. We demonstrate that regularity of cqq sources is not only a technical but also an operational issue. For this reason, we give an example of a source which has zero secret-key distillation capacity without sender knowledge, while achieving positive rates is possible if sender marginal knowledge is provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Noise limits for dc SQUID readout of high- Q resonators below 300 MHz

We present the limits on noise for the readout of cryogenic high-Q resonators using dc Superconducting Quantum Interference Devices (SQUIDs) below 300 MHz. This analysis uses realized first-stage SQUIDs (previously published), whose performance is well described by Tesche–Clarke (TC) theory, coupled directly to the resonators. We also present data from a prototype second-stage dc SQUID array designed to couple to this first-stage SQUID as a follow-on amplifier with high system bandwidth. This analysis is the first full consideration of dc SQUID noise performance referred to a high-Q resonator over this frequency range and is presented relative to the standard quantum limit. We include imprecision, backaction, and backaction–imprecision noise correlations from TC theory, the noise contributed by the second-stage SQUIDs, wiring, and preamplifiers, and optimizations for both on-resonance measurements and off-resonance scan sensitivity. This architecture has modern relevance due to the increased interest in axion searches and the requirements of the DMRadio-m 3 axion search, which uses dc SQUIDs in this frequency range.

Bosons↗

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design of low surface roughness-low residual stress-high optoelectronic merit a-IZO thin films for flexible OLEDs

The development of efficient and reliable large-area flexible optoelectronic devices demands low surface roughness-low residual stress-high optoelectronic merit transparent conducting oxide (TCO) thin films. Here, we correlate surface roughness-residual stress-optoelectronic properties of sputtered amorphous indium zinc oxide (a-IZO) thin films using a statistical design of experiment (DOE) approach and find a common growth space to achieve a smooth surface in a stress-free and high optoelectronic merit a-IZO thin film. The sputtering power, growth pressure, oxygen partial pressure, and RF/(RF+DC) are varied in a two-level system with a full factorial design, and results are used to deconvolve the complex growth space, identifying significant control growth parameters and their possible interactions. The surface roughness of a-IZO thin film varies over 0.19 nm to 3.97 nm, which is not in line with the general assumption of low surface roughness in a-IZO thin films. The initial regression model and analysis of variance reveal no single optimum growth sub-space to achieve low surface roughness (≤0.5 nm), low residual stress (−1 to 0 GPa), and industrially acceptable electrical conductivity (>1000 S/cm) for a-IZO thin films. The extrapolation of growth parameters in light of the current results and previous knowledge leads to a new sub-space, resulting in a low residual stress of −0.52±0.04 GPa, a low surface roughness of 0.55±0.03 nm, and moderate electrical conductivity of 1962±3.84 S/cm in a-IZO thin films. These results demonstrate the utility of the DOE approach to multi-parameter optimization, which provides an important tool for the development of flexible TCOs for the next-generation flexible organic light emitting diodes applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural design and optimization of near-ultraviolet light-emitting diodes with wide wells

The characteristics of the near-ultraviolet (NUV) light-emitting diodes (LEDs) with wide (14-nm-thick) and narrow (2-nm-thick) wells under the situations of different numbers of wells and degree of polarization are systematically investigated. The simulation results show that the Auger recombination can be efficiently suppressed with the increase of number of wells in NUV LEDs. For the LEDs with wide wells, the quantum-confined Stark effect and Shockley–Read–Hall recombination play an important role when the number of wells increases, especially when the LED is under low current injection or high degree of polarization. In order to take the advantage of using wide wells, it is proposed that the quaternary Al{sub 0.1}In{sub 0.05}Ga{sub 0.85}N barriers be used in wide-well NUV LEDs along with the use of Al{sub 0.3}Ga{sub 0.7}N/Al{sub 0.1}Ga{sub 0.9}N superlattice electron-blocking layer to mitigate the polarization effect and electron overflow. With this band-engineering structural design, the optical performance of the wide-well NUV LEDs is much better than its thin-well counterpart even under the situation of high degree of polarization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sub-quantum Fisher information

We report the quantum Fisher information (QFI) plays a crucial role in quantum information theory and in many practical applications such as quantum metrology. However, computing the QFI is generally a computationally demanding task. In this work we analyze a lower bound on the QFI which we call the sub-quantum Fisher information (sub-QFI). The bound can be efficiently estimated on a quantum computer for an n-qubit state using 2n qubits. The sub-QFI is based on the super-fidelity, an upper bound on Uhlmann's fidelity. We analyze the sub-QFI in the context of unitary families, where we derive several crucial properties including its geometrical interpretation. In particular, we prove that the QFI and the sub-QFI are maximized for the same optimal state, which implies that the sub-QFI is faithful to the QFI in the sense that both quantities share the same global extrema. Based on this faithfulness, the sub-QFI acts as an efficiently computable surrogate for the QFI for quantum sensing and quantum metrology applications. Finally, we provide additional meaning to the sub-QFI as a measure of coherence, asymmetry, and purity loss.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗