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At least 631 records · Page 35

Fusion Energy Sciences Roundtable on Quantum Information Science, May 01-02, 2018

Quantum Information Science (QIS) is poised to revolutionize information technology, with significant impacts in many areas of science and technology. QIS includes general-purpose quantum computation, quantum simulation, quantum sensing and quantum communications. A fifth element is quantum materials, which can enable quantum computing (through physical embodiment of qubits) and which are a frontier of fundamental science in themselves.

97 MATHEMATICS AND COMPUTING↗

Physics constrained unsupervised deep learning for rapid, high resolution scanning coherent diffraction reconstruction

By circumventing the resolution limitations of optics, coherent diffractive imaging (CDI) and ptychography are making their way into scientific fields ranging from X-ray imaging to astronomy. Yet, the need for time consuming iterative phase recovery hampers real-time imaging. While supervised deep learning strategies have increased reconstruction speed, they sacrifice image quality. Furthermore, these methods’ demand for extensive labeled training data is experimentally burdensome. Here, we propose an unsupervised physics-informed neural network reconstruction method, PtychoPINN, that retains the factor of 100-to-1000 speedup of deep learning-based reconstruction while improving reconstruction quality by combining the diffraction forward map with real-space constraints from overlapping measurements. In particular, PtychoPINN gains a factor of 4 in linear resolution and an 8 dB improvement in PSNR while also accruing improvements in generalizability and robustness. This blend of performance and computational efficiency offers exciting prospects for high-resolution real-time imaging in high-throughput environments such as X-ray free electron lasers (XFELs) and diffraction-limited light sources.

97 MATHEMATICS AND COMPUTING↗

Chirped soliton solutions in optical medium

In this paper, we study a nonlinear Schrödinger equation with quintic nonlinearity, self-steepening and self-frequency shift terms describing the polarization mode in an optical fiber. As results, several new chirped soliton solutions not yet reported in the literature are obtained. These solutions are found without using computer codes. The solutions are bright, dark and cnoidal solitons. The method used here is very effective and simple and can be applied to other types of nonlinear equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling Multiscale-Multiphase-Multicomponent Subsurface Reactive Flows Using Advanced Computing

The DOE SciDAC program funded a team that developed PFLOTRAN, the next-generation (peta-scale) massively parallel, multiphase, multicomponent reactive flow and transport code. These codes are required to improve understanding and risk management of subsurface contaminant migration and geological sequestration of carbon dioxide. The important fate and transport processes occurring in the subsurface span a wide range of spatial and temporal scales, and involve nonlinear interactions among many different chemical constituents. Due to the complexity of this problem, modeling subsurface processes normally requires simplifying assumptions. However, tools of advanced scientific computing that have been used in other areas such as energy and materials research can also help address challenging problems in the environmental and geoscience fields. The overall project was led by Los Alamos National Laboratory and included Argonne, Oak Ridge and Pacific Northwest National Laboratories, in addition to the University of Illinois. This report summarizes the results of the research done at the University of Illinois, which focused on improvements to the underlying physical and computational modeling of certain transport and mixing processes.

58 GEOSCIENCES↗

Intersymbol Interference Investigations Using a 3D Time-Dependent Traveling Wave Tube Model

For the first time, a physics based computational model has been used to provide a direct description of the effects of the TWT (Traveling Wave Tube) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves. Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept amplitude and/or swept frequency data. The fully three-dimensional (3D), time-dependent, TWT interaction model using the electromagnetic code MAFIA is presented. This model is used to investigate assumptions made in TWT black box models used in communication system level simulations. In addition, digital signal performance, including intersymbol interference (ISI), is compared using direct data input into the MAFIA model and using the system level analysis tool, SPW (Signal Processing Worksystem).

Kory, Carol L.↗

GPU applications for data processing

Modern experiments that use nuclear photoemulsion imply fast and efficient data acquisition from the emulsion can be performed. The new approaches in developing scanning systems require real-time processing of large amount of data. Methods that use Graphical Processing Unit (GPU) computing power for emulsion data processing are presented here. It is shown how the GPU-accelerated emulsion processing helped us to rise the scanning speed by factor of nine.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Impact of particle loading and phase coupling on gas–solid flow dynamics: A case study of a two-phase, gas–solid flow in an annular pipe

The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.

42 ENGINEERING↗

Entanglement spectroscopy with a depth-two quantum circuit

Noisy intermediate-scale quantum (NISQ) computers have gate errors and decoherence, limiting the depth of circuits that can be implemented on them. Here, a strategy for NISQ algorithms is to reduce the circuit depth at the expense of increasing the qubit count.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reformulation of the No-Free-Lunch Theorem for Entangled Datasets

The No-Free-Lunch (NFL) theorem is a celebrated result in learning theory that limits one’s ability to learn a function with a training data set. With the recent rise of quantum machine learning, it is natural to ask whether there is a quantum analog of the NFL theorem, which would restrict a quantum computer’s ability to learn a unitary process with quantum training data. However, in the quantum setting, the training data can possess entanglement, a strong correlation with no classical analog. In this work, we show that entangled data sets lead to an apparent violation of the (classical) NFL theorem. This motivates a reformulation that accounts for the degree of entanglement in the training set. As our main result, we prove a quantum NFL theorem whereby the fundamental limit on the learnability of a unitary is reduced by entanglement. We employ Rigetti's quantum computer to test both the classical and quantum NFL theorems. In conclusion, our work establishes that entanglement is a commodity in quantum machine learning.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Intersymbol Interference Investigations Using a 3D Time-Dependent Traveling Wave Tube Model

For the first time, a time-dependent, physics-based computational model has been used to provide a direct description of the effects of the traveling wave tube amplifier (TWTA) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves. Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry and operating characteristics of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept- amplitude and/or swept-frequency data. First, the TWT model using the three dimensional (3D) electromagnetic code MAFIA is presented. Then, this comprehensive model is used to investigate approximations made in conventional TWT black-box models used in communication system level simulations. To quantitatively demonstrate the effects these approximations have on digital signal performance predictions, including intersymbol interference (ISI), the MAFIA results are compared to the system level analysis tool, Signal Processing Workstation (SPW), using high order modulation schemes including 16 and 64-QAM.

Kory, Carol L.↗

Higher Order Modulation Intersymbol Interference Caused by Traveling-wave Tube Amplifiers

For the first time, a time-dependent, physics-based computational model has been used to provide a direct description of the effects of the traveling wave tube amplifier (TWTA) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves, Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry and operating characteristics of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept-amplitude and/or swept-frequency data. First, the TWT model using the three dimensional (3D) electromagnetic code MAFIA is presented. Then, this comprehensive model is used to investigate approximations made in conventional TWT black-box models used in communication system level simulations, To quantitatively demonstrate the effects these approximations have on digital signal performance predictions, including intersymbol interference (ISI), the MAFIA results are compared to the system level analysis tool, Signal Processing, Workstation (SPW), using high order modulation schemes including 16 and 64-QAM.

Kory, Carol L.↗

Computationally efficient control allocation

A computationally efficient method for calculating near-optimal solutions to the three-objective, linear control allocation problem is disclosed. The control allocation problem is that of distributing the effort of redundant control effectors to achieve some desired set of objectives. The problem is deemed linear if control effectiveness is affine with respect to the individual control effectors. The optimal solution is that which exploits the collective maximum capability of the effectors within their individual physical limits. Computational efficiency is measured by the number of floating-point operations required for solution. The method presented returned optimal solutions in more than 90% of the cases examined; non-optimal solutions returned by the method were typically much less than 1% different from optimal and the errors tended to become smaller than 0.01% as the number of controls was increased. The magnitude of the errors returned by the present method was much smaller than those that resulted from either pseudo inverse or cascaded generalized inverse solutions. The computational complexity of the method presented varied linearly with increasing numbers of controls; the number of required floating point operations increased from 5.5 i, to seven times faster than did the minimum-norm solution (the pseudoinverse), and at about the same rate as did the cascaded generalized inverse solution. The computational requirements of the method presented were much better than that of previously described facet-searching methods which increase in proportion to the square of the number of controls.

Durham, Wayne↗

Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces

The objective of this project is to develop, and integrate, high-performance simulation tools capable of predicting plasma-facing component (PFC) operating lifetime and the impact of the evolving surface morphology of tungsten-based PFCs on plasma contamination, including the dynamic recycling of fuel species and tritium retention, in future magnetic fusion devices. Establishing a fundamental physical understanding and developing predictive capabilities of plasma-surface interactions (PSI) requires simultaneously addressing complex and diverse physics occurring over a wide range of length (Angstroms to meters) and time (femtoseconds to years) scales, as well as integrating extensive physical processes across the plasma–surface interface. This requires development of not only detailed physics models and computational strategies at each scale, but also algorithms and methods to couple them effectively in a way that can be robustly validated. Deploying these tools requires the continued development and coupling of leadership-scale computational codes to describe the boundary plasma and the evolving PFC surface, as well as a host of simulations that bridge disparate scales to address complex physical and computational issues at the plasma–surface interface in multi-component materials systems for magnetic fusion energy development beyond ITER.

36 MATERIALS SCIENCE↗

Numerical study to predict the effect of surface roughness on the thermal and hydraulic performance of additively manufactured heat exchangers

Heat exchangers are used in many industries to transfer thermal energy between two or more objects with an associated thermal and hydraulic performance indicated by thermal effectiveness and pressure drop respectively. Many investigations have aimed to enhance the thermal effectiveness of heat exchangers by introducing turbulent flow inducers that increase the heat transfer rate at the expense of increasing pressure drop. Flow inducers like surface roughness can be controlled with advanced manufacturing methods like additive manufacturing for heat exchanger production. Selecting and manufacturing an optimal surface roughness for heat exchangers requires a more comprehensive approach that accounts for the surface roughness effect on the thermal and hydraulic performance of a sample. Since fabricating samples with additive manufacturing to a desired surface roughness can be an extensive experimental process, this study will fundamentally investigate the effect of surface roughness on the thermal and velocity boundary layers for various surface roughness profiles with physics-based computational modeling. To accurately model the surface roughness effect on thermohydraulic performance, correlations like roughness ratio, friction factor, and Nusselt number are investigated. This study expects to indicate correlations for different flow regimes which can successfully predict the effect of surface roughness on thermohydraulic performance. Results generated from modeling surface roughness effect with unique correlations are then compared to experimental data obtained from literature for validation. The results of this study will provide insight to understand the thermal fluid physics associated with surface roughness and design guidelines for heat exchangers produced with additive manufacturing.

36 MATERIALS SCIENCE↗

On the structure of existence regions for sinks of the Hénon map

An extensive search for stable periodic orbits (sinks) for the Hénon map in a small neighborhood of the classical parameter values is carried out. Several parameter values which generate a sink are found and verified by rigorous numerical computations. Each found parameter value is extended to a larger region of existence using a simplex continuation method. The structure of these regions of existence is investigated. This study shows that for the Hénon map, there exist sinks close to the classical case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Efficient grid generation

Because the governing equations in fluid dynamics contain partial differentials and are too difficult in most cases to solve analytically, these differentials are generally replaced by finite difference terms. These terms contain terms in the solution at nearby states. This procedure discretizes the field into a finite number of states. These states, when plotted, form a grid, or mesh, of points. It is at these states, or field points, that the solution is found. The optimum choice of states, the x, y, z coordinate values, minimizes error and computational time. But the process of finding these states is made more difficult by complex boundaries, and by the need to control step size differences between the states, that is, the need to control the spacing of field points. One solution technique uses a different set of state variables, which define a different coordinate system, to generate the grid more easily. A new method, developed by Dr. Joseph Steger, combines elliptic and hyperbolic partial differential equations into a mapping function between the physical and computational coordinate systems. This system of equations offers more control than either equation provides alone. The Steger algorithm was modified in order to allow bodies with stronger concavities to be used, offering the possibility of generating a single grid about multiple bodies. Work was also done on identifying areas where grid breakdown occurs.

Seki, Rycichi↗

Nucleon axial and pseudoscalar form factors using twisted-mass fermion ensembles at the physical point

We compute the nucleon axial and pseudoscalar form factors using three N f = 2 + 1 + 1 twisted-mass fermion ensembles with all quark masses tuned to approximately their physical values. The values of the lattice spacings of these three physical point ensembles are 0.080, 0.068, and 0.057 fm and spatial sizes 5.1, 5.44, and 5.47 fm, respectively, yielding m π L > 3.6 . Convergence to the ground-state matrix elements is assessed using multistate fits. We study the momentum dependence of the three form factors and check the partially conserved axial-vector current (PCAC) hypothesis and the pion pole dominance (PPD). We show that in the continuum limit, the PCAC and PPD relations are satisfied. We also show that the Goldberger-Treimann relation is approximately fulfilled and determine the Goldberger-Treiman discrepancy. Our final results are g A = 1.245 ( 28 ) ( 14 ) for the nucleon axial charge, ⟨ r A 2 ⟩ = 0.339 ( 48 ) ( 06 ) fm 2 for the axial radius, g π N N ≡ lim Q 2 → − m π 2 G π N N ( Q 2 ) = 13.25 ( 67 ) ( 69 ) for the pion-nucleon coupling constant, and G P ( 0.88 m μ 2 ) ≡ g P * = 8.99 ( 39 ) ( 49 ) for the induced pseudoscalar form factor at the muon capture point. Published by the American Physical Society 2024

Astronomy & Astrophysics↗