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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Theory predicts 2D chiral polaritons based on achiral Fabry–Pérot cavities using apparent circular dichroism

Abstract Realizing polariton states with high levels of chirality offers exciting prospects for quantum information, sensing, and lasing applications. Such chirality must emanate from either the involved optical resonators or the quantum emitters. Here, we theoretically demonstrate a rare opportunity for realizing polaritons with so-called 2D chirality by strong coupling of the optical modes of (high finesse) achiral Fabry–Pérot cavities with samples exhibiting “apparent circular dichroism” (ACD). ACD is a phenomenon resulting from an interference between linear birefringence and dichroic interactions. By introducing a quantum electrodynamical theory of ACD, we identify the design rules based on which 2D chiral polaritons can be produced, and their chirality can be optimized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Optimal control of the signal-to-noise ratio per unit time of a spin 1/2 particle: The crusher gradient and the radiation damping cases

We show to which extent the signal to noise ratio per unit time of a spin 1/2 particle can be maximized. We consider a cyclic repetition of experiments made of a measurement followed by a radio-frequency magnetic field excitation of the system, in the case of unbounded amplitude. In the periodic regime, the objective of the control problem is to design the initial state of the system and the pulse sequence which leads to the best signal to noise performance. We focus on two specific issues relevant in nuclear magnetic resonance, the crusher gradient and the radiation damping cases. Optimal control techniques are used to solve this non-standard control problem. We discuss the optimality of the Ernst angle solution, which is commonly applied in spectroscopic and medical imaging applications. In the radiation damping situation, we show that in some cases, the optimal solution differs from the Ernst one.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The use of experimental design to find the operating maximum power point of PEM fuel cells

Proton Exchange Membrane (PEM) Fuel Cells are difficult to model due to their complex nonlinear nature. In this paper, the development of a PEM Fuel Cells mathematical model based on the Design of Experiment methodology is described. The Design of Experiment provides a very efficient methodology to obtain a mathematical model for the studied multivariable system with only a few experiments. The obtained results can be used for optimization and control of the PEM Fuel Cells systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment

We implement and compute the density functional nonadditive three-body dispersion interaction using a combination of Tang-Karplus formalism and the exchange-dipole moment model of Becke and Johnson. The computation of the C{sub 9} dispersion coefficients is done in a non-empirical fashion. The obtained C{sub 9} values of a series of noble atom triplets agree well with highly accurate values in the literature. We also calculate the C{sub 9} values for a series of benzene trimers and find a good agreement with high-level ab initio values reported recently in the literature. For the question of damping of the three-body dispersion at short distances, we propose two damping schemes and optimize them based on the benzene trimers data, and the fitted analytic potentials of He{sub 3} and Ar{sub 3} trimers fitted to the results of high-level wavefunction theories available from the literature. Both damping schemes respond well to the optimization of two parameters.

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

Universal control of a six-qubit quantum processor in silicon

Future quantum computers capable of solving relevant problems will require a large number of qubits that can be operated reliably. However, the requirements of having a large qubit count and operating with high fidelity are typically conflicting. Spins in semiconductor quantum dots show long-term promise but demonstrations so far use between one and four qubits and typically optimize the fidelity of either single- or two-qubit operations, or initialization and readout. Here, we increase the number of qubits and simultaneously achieve respectable fidelities for universal operation, state preparation and measurement. We design, fabricate and operate a six-qubit processor with a focus on careful Hamiltonian engineering, on a high level of abstraction to program the quantum circuits, and on efficient background calibration, all of which are essential to achieve high fidelities on this extended system. State preparation combines initialization by measurement and real-time feedback with quantum-non-demolition measurements. These advances will enable testing of increasingly meaningful quantum protocols and constitute a major stepping stone towards large-scale quantum computers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Collective neutrino oscillations on a quantum computer with hybrid quantum-classical algorithm

We simulate the time evolution of collective neutrino oscillations in two-flavor settings on a quantum computer. We explore the generalization of Trotter-Suzuki approximation to time-dependent Hamiltonian dynamics. The trotterization steps are further optimized using the Cartan decomposition of two-qubit unitary gates U ϵ SU(4) in the minimum number of controlled-NOT (CNOT) gates making the algorithm more resilient to the hardware noise. As a result, a more efficient hybrid quantum-classical algorithm is also explored to solve the problem on noisy intermediate-scale quantum devices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Entropy distance: New quantum phenomena

We study a curve of Gibbsian families of complex 3 Multiplication-Sign 3-matrices and point out new features, absent in commutative finite-dimensional algebras: a discontinuous maximum-entropy inference, a discontinuous entropy distance, and non-exposed faces of the mean value set. We analyze these problems from various aspects including convex geometry, topology, and information geometry. This research is motivated by a theory of infomax principles, where we contribute by computing first order optimality conditions of the entropy distance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Simulation and research of few-mode optical fiber DMD degradation due to geometry deviation from optimized form

This work presents an alternative fast and simple method for the design of a graded refractive index profile of silica few-mode optical fibers (FMFs) with enlarged core diameter that extremely improves mode effective area, and low differential mode delay (DMD). We demonstrate some results of refractive index profile optimization for 16-LP-mode FMF with enlarged core diameter up to 42 μm and mode effective area more 130 μm{sup 2} under DMD reduction less 120 ps/km all over “C”-band and less 40 ps/km at λ = 1550 nm region. We also propose approach for simulation of the deviation of “real” optical fiber geometry from the optimized form and rigorous method for analysis of large core complicated optical fiber. Here, FMF core asymmetrical ellipticity together with the refractive index profile distortions were considered. They were set and simulated by data from reports of the real commercially available laser-optimized multimode optical fibers of TIA/ISO Cat. OM2+/OM3 refractive index profile measurements, performed by lab optical fiber analyzer kit. We present results of researches of considered FMF DMD spectral curve degradation due to described core geometry deviation from the optimized form. It was noticed, that unlike to only refractive index local fluctuations, FMF core non-circularity strongly distorts higher-order mode field distribution that affects to spectral mode delay curves and may lead to critical total DMD increasing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Robust Utility Maximization Under Convex Portfolio Constraints

We study a robust maximization problem from terminal wealth and consumption under a convex constraints on the portfolio. We state the existence and the uniqueness of the consumption–investment strategy by studying the associated quadratic backward stochastic differential equation. We characterize the optimal control by using the duality method and deriving a dynamic maximum principle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Bayesian tomography of high-dimensional on-chip biphoton frequency combs with randomized measurements

Abstract Owing in large part to the advent of integrated biphoton frequency combs, recent years have witnessed increased attention to quantum information processing in the frequency domain for its inherent high dimensionality and entanglement compatible with fiber-optic networks. Quantum state tomography of such states, however, has required complex and precise engineering of active frequency mixing operations, which are difficult to scale. To address these limitations, we propose a solution that employs a pulse shaper and electro-optic phase modulator to perform random operations instead of mixing in a prescribed manner. We successfully verify the entanglement and reconstruct the full density matrix of biphoton frequency combs generated from an on-chip Si 3 N 4 microring resonator in up to an 8 × 8-dimensional two-qudit Hilbert space, the highest dimension to date for frequency bins. More generally, our employed Bayesian statistical model can be tailored to a variety of quantum systems with restricted measurement capabilities, forming an opportunistic tomographic framework that utilizes all available data in an optimal way.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Nucleon Structure from 2+1 Flavor Domain Wall QCD at Nearly Physical Pion Mass

The RBC and UKQCD collaborations have been investigating hadron physics in numerical lattice quantum chromodynamics (QCD) with (2+1) flavors of dynamical domain wall fermions (DWF) quarks that preserves continuum-like chiral and flavor symmetries. The strange quark mass is adjusted to physical value via reweighting and degenerate up and down quark masses are set as light as possible. In a recent study of nucleon structure we found a strong dependence on pion mass and lattice spatial extent in isovector axialvector-current form factors. This is likely the first credible evidence for the pion cloud surrounding nucleon. Here we report the status of nucleon structure calculations with a new (2+1)-flavor dynamical DWF ensembles with much lighter pion mass of 180 and 250 MeV and a much larger lattice spatial exent of 4.6 fm. A combination of the Iwasaki and dislocation-suppressing-determinant-ratio (I+DSDR) gauge action and DWF fermion action allows us to generate these ensembles at cutoff of about 1.4 GeV while keeping the residual breaking of chiral symmetry sufficiently small. Nucleon source Gaussian smearing has been optimized. Preliminary nucleon mass estimates are 0.98 and 1.05 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Sample distribution in peak mode isotachophoresis

We present an analytical study of peak mode isotachophoresis (ITP), and provide closed form solutions for sample distribution and electric field, as well as for leading-, trailing-, and counter-ion concentration profiles. Importantly, the solution we present is valid not only for the case of fully ionized species, but also for systems of weak electrolytes which better represent real buffer systems and for multivalent analytes such as proteins and DNA. The model reveals two major scales which govern the electric field and buffer distributions, and an additional length scale governing analyte distribution. Using well-controlled experiments, and numerical simulations, we verify and validate the model and highlight its key merits as well as its limitations. We demonstrate the use of the model for determining the peak concentration of focused sample based on known buffer and analyte properties, and show it differs significantly from commonly used approximations based on the interface width alone. We further apply our model for studying reactions between multiple species having different effective mobilities yet co-focused at a single ITP interface. We find a closed form expression for an effective-on rate which depends on reactants distributions, and derive the conditions for optimizing such reactions. Interestingly, the model reveals that maximum reaction rate is not necessarily obtained when the concentration profiles of the reacting species perfectly overlap. In addition to the exact solutions, we derive throughout several closed form engineering approximations which are based on elementary functions and are simple to implement, yet maintain the interplay between the important scales. Both the exact and approximate solutions provide insight into sample focusing and can be used to design and optimize ITP-based assays.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Two-dimensional inverse planning and delivery with a preclinical image guided microirradiator

Purpose: Recent advances in preclinical radiotherapy systems have provided the foundation for scaling many of the elements of clinical radiation therapy practice to the dimensions and energy demanded in small animal studies. Such systems support the technical capabilities to accurately deliver highly complex dose distributions, but methods to optimize and deliver such distributions remain in their infancy. This study developed an optimization method based on empirically measured two-dimensional dose kernel measurements to deliver arbitrary planar dose distributions on a recently developed small animal radiotherapy platform.Methods: A two-dimensional dose kernel was measured with repeated radiochromic film measurements for the circular 1 mm diameter fixed collimator of the small animal radiotherapy system at 1 cm depth in a solid water phantom. This kernel was utilized in a sequential quadratic programming optimization framework to determine optimal beam positions and weights to deliver an arbitrary desired dose distribution. The positions and weights were then translated to a set of stage motions to automatically deliver the optimized dose distribution. End-to-end efficacy of the framework was quantified through five repeated deliveries of two dosimetric challenges: (1) a 5 mm radius bullseye distribution, and (2) a “sock” distribution contained within a 9 × 13 mm bounding box incorporating rectangular, semicircular, and exponentially decaying geometric constructs and a rectangular linear dose gradient region. These two challenges were designed to gauge targeting, geometric, and dosimetric fidelity.Results: Optimization of the bullseye and sock distributions required 2.1 and 5.9 min and utilized 50 and 77 individual beams for delivery, respectively. Automated delivery of the resulting optimized distributions, validated using radiochromic film measurements, revealed an average targeting accuracy of 0.32 mm, and a dosimetric delivery error along four line profiles taken through the sock distribution of 3.9%. Mean absolute delivery error across the 0–1 Gy linear dose gradient over 7.5 mm was 0.01 Gy.Conclusions: The work presented here demonstrates the potential for complex dose distributions to be planned and automatically delivered with millimeter scale heterogeneity at submillimeter accuracy. This capability establishes the technical foundation for preclinical validation of biologically guided radiotherapy investigations and development of unique radiobiological experiments.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Enhanced quantum efficiency from optical interference in alkali antimonide photocathodes: Modeling and experimental results

We present measurements of enhanced quantum efficiency (QE) in thin film alkali antimonide photocathodes from optical interference in the cathode-substrate multilayer. Modulations in the spectral response are observed over a range of visible wavelengths and are shown to increase the QE by more than a factor of two at specific wavelengths. We present a model describing the QE modulations based on the three step photoemission process incorporating cases of both constant density of states and density functional theory-derived density of states and show that the calculated results are in good agreement with the measurements. Model predictions demonstrate that QE can be enhanced by more than a factor of 5 by optimization of cathode and substrate layer thicknesses. Additionally, these calculations reveal that optical interference can yield higher quantum efficiencies in thin films compared to thick, optically dense films. We model the QE vs excitation wavelength of multiple alkali antimonide compounds at different thicknesses. We then discuss the advantages of this interference effect for electron accelerators.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Simulating non-native cubic interactions on noisy quantum machines

As a milestone for general-purpose computing machines, we demonstrate that quantum processors can be programed to efficiently simulate dynamics that are not native to the hardware. Moreover, on noisy devices without error correction, we show that simulation results are significantly improved when the quantum program is compiled using modular gates instead of a restricted set of standard gates. We demonstrate the general methodology by solving a cubic interaction problem, which appears in nonlinear optics, gauge theories, as well as plasma and fluid dynamics. To encode the non-native Hamiltonian evolution, we decompose the Hilbert space into a direct sum of invariant subspaces in which the nonlinear problem is mapped to a finite-dimensional Hamiltonian simulation problem. Furthermore, in a three-states example, the resultant unitary evolution is realized by a product of approximately 20 standard gates, using which approximately ten simulation steps can be carried out on state-of-the-art quantum hardware before results are corrupted by decoherence. In comparison, the simulation depth is improved by more than an order of magnitude when the unitary evolution is realized as a single cubic gate, which is compiled directly using optimal control. Alternatively, parametric gates may also be compiled by interpolating control pulses. Modular gates thus obtained provide high-fidelity building blocks for quantum Hamiltonian simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Bootstrap performance profiles in stochastic algorithms assessment

Optimization with stochastic algorithms has become a relevant research field. Due to its stochastic nature, its assessment is not straightforward and involves integrating accuracy and precision. Performance profiles for the mean do not show the trade-off between accuracy and precision, and parametric stochastic profiles require strong distributional assumptions and are limited to the mean performance for a large number of runs. In this work, bootstrap performance profiles are used to compare stochastic algorithms for different statistics. This technique allows the estimation of the sampling distribution of almost any statistic even with small samples. Multiple comparison profiles are presented for more than two algorithms. The advantages and drawbacks of each assessment methodology are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Classical versus quantum models in machine learning: insights from a finance application

Although several models have been proposed towards assisting machine learning (ML) tasks with quantum computers, a direct comparison of the expressive power and efficiency of classical versus quantum models for datasets originating from real-world applications is one of the key milestones towards a quantum ready era. Here, we take a first step towards addressing this challenge by performing a comparison of the widely used classical ML models known as restricted Boltzmann machines (RBMs), against a recently proposed quantum model, now known as quantum circuit Born machines (QCBMs). Both models address the same hard tasks in unsupervised generative modeling, with QCBMs exploiting the probabilistic nature of quantum mechanics and a candidate for near-term quantum computers, as experimentally demonstrated in three different quantum hardware architectures to date. To address the question of the performance of the quantum model on real-world classical data sets, we construct scenarios from a probabilistic version out of the well-known portfolio optimization problem in finance, by using time-series pricing data from asset subsets of the S&P500 stock market index. It is remarkable to find that, under the same number of resources in terms of parameters for both classical and quantum models, the quantum models seem to have superior performance on typical instances when compared with the canonical training of the RBMs. Our simulations are grounded on a hardware efficient realization of the QCBMs on ion-trap quantum computers, by using their native gate sets, and therefore readily implementable in near-term quantum devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Improved lifetime of a high spin polarization superlattice photocathode

Negative Electron Affinity (NEA) activated surfaces are required to extract highly spin-polarized electron beams from GaAs-based photocathodes, but they suffer extreme sensitivity to poor vacuum conditions that results in rapid degradation of quantum efficiency. We report on a series of unconventional NEA activations on surfaces of bulk GaAs with Cs, Sb, and O 2 using different methods of oxygen exposure for optimizing photocathode performance. Additionally, one order of magnitude improvement in lifetime with respect to the standard Cs–O 2 activation is achieved without significant loss of electron spin polarization and quantum efficiency by codepositing Cs, Sb, and O 2 . A strained GaAs/GaAsP superlattice sample activated with the codeposition method demonstrated similar enhancement in lifetime near the photoemission threshold while maintaining 90% spin polarization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗