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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Twisted circle compactifications of 6 d SCFTs

We study 6d superconformal field theories (SCFTs) compactified on a circle with arbitrary twists. The theories obtained after compactification, often referred to as 5d Kaluza-Klein (KK) theories, can be viewed as starting points for RG flows to 5d SCFTs. According to a conjecture, all 5d SCFTs can be obtained in this fashion. We compute the Coulomb branch prepotential for all 5d KK theories obtainable in this manner and associate to these theories a smooth local genus one fibered Calabi-Yau threefold in which is encoded information about all possible RG flows to 5d SCFTs. These Calabi-Yau threefolds provide hitherto unknown M-theory duals of F-theory configurations compactified on a circle with twists. For certain exceptional KK theories that do not admit a standard geometric description we propose an algebraic description that appears to retain the properties of the local Calabi-Yau threefolds necessary to determine RG flows to 5d SCFTs, along with other relevant physical data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Scattering equations in AdS: scalar correlators in arbitrary dimensions

We introduce a bosonic ambitwistor string theory in AdS space. Even though the theory is anomalous at the quantum level, one can nevertheless use it in the classical limit to derive a novel formula for correlation functions of boundary CFT operators in arbitrary space-time dimensions. The resulting construction can be treated as a natural extension of the CHY formalism for the flat-space S-matrix, as it similarly expresses tree-level amplitudes in AdS as integrals over the moduli space of Riemann spheres with punctures. These integrals localize on an operator-valued version of scattering equations, which we derive directly from the ambitwistor string action on a coset manifold. As a testing ground for this formalism we focus on the simplest case of ambitwistor string coupled to two cur- rent algebras, which gives bi-adjoint scalar correlators in AdS. In order to evaluate them directly, we make use of a series of contour deformations on the moduli space of punctured Riemann spheres and check that the result agrees with tree level Witten diagram computations to all multiplicity. We also initiate the study of eigenfunctions of scattering equations in AdS, which interpolate between conformal partial waves in different OPE channels, and point out a connection to an elliptic deformation of the Calogero-Sutherland model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Discriminating Quantum States with Quantum Machine Learning

Quantum machine learning (QML) algorithms have obtained great relevance in the machine learning (ML) field due to the promise of quantum speedups when performing basic linear algebra subroutines (BLAS), a fundamental element in most ML algorithms. By making use of BLAS operations, we propose, implement and analyze a quantum k-means (qk-means) algorithm with a low time complexity of O(NKlog(D)I/C) to apply it to the fundamental problem of discriminating quantum states at readout. Discriminating quantum states allows the identification of quantum states |0⟩ and |1⟩ from low-level in-phase and quadrature signal (IQ) data, and can be done using custom ML models. In order to reduce dependency on a classical computer, we use the qk-means to perform state discrimination on the IBMQ Bogota device and managed to find assignment fidelities of up to 98.7% that were only marginally lower than that of the k-means algorithm. We also performed a cross-talk benchmark on the quantum device by applying both algorithms to perform state discrimination on a combination of quantum states and using Pearson Correlation coefficients and assignment fidelities of discrimination results to conclude on the presence of cross-talk on qubits. Evidence shows cross-talk in the (1, 2) and (2, 3) neighboring qubit couples for the analyzed device.

Quiroga, David↗
NASA NTRS1996

Towards and FVE-FAC Method for Determining Thermocapillary Effects on Weld Pool Shape

Several practical materials processes, e.g., welding, float-zone purification, and Czochralski crystal growth, involve a pool of molten metal with a free surface, with strong temperature gradients along the surface. In some cases, the resulting thermocapillary flow is vigorous enough to convect heat toward the edges of the pool, increasing the driving force in a sort of positive feedback. In this work we examine this mechanism and its effect on the solid-liquid interface through a model problem: a half space of pure substance with concentrated axisymmetric surface heating, where surface tension is strong enough to keep the liquid free surface flat. The numerical method proposed for this problem utilizes a finite volume element (FVE) discretization in cylindrical coordinates. Because of the axisymmetric nature of the model problem, the control volumes used are torroidal prisms, formed by taking a polygonal cross-section in the (r, z) plane and sweeping it completely around the z-axis. Conservation of energy (in the solid), and conservation of energy, momentum, and mass (in the liquid) are enforced globally by integrating these quantities and enforcing conservation over each control volume. Judicious application of the Divergence Theorem and Stokes' Theorem, combined with a Crank-Nicolson time-stepping scheme leads to an implicit algebraic system to be solved at each time step. It is known that near the boundary of the pool, that is, near the solid-liquid interface, the full conduction-convection solution will require extremely fine length scales to resolve the physical behavior of the system. Furthermore, this boundary moves as a function of time. Accordingly, we develop the foundation of an adaptive refinement scheme based on the principles of Fast Adaptive Composite Grid methods (FAC). Implementation of the method and numerical results will appear in a later report.

Canright, David↗
NASA NTRS2017

Color Algebras

A color algebra refers to a system for computing sums and products of colors, analogous to additive and subtractive color mixtures. We would like it to match the well-defined algebra of spectral functions describing lights and surface reflectances, but an exact correspondence is impossible after the spectra have been projected to a three-dimensional color space, because of metamerism physically different spectra can produce the same color sensation. Metameric spectra are interchangeable for the purposes of addition, but not multiplication, so any color algebra is necessarily an approximation to physical reality. Nevertheless, because the majority of naturally-occurring spectra are well-behaved (e.g., continuous and slowly-varying), color algebras can be formulated that are largely accurate and agree well with human intuition. Here we explore the family of algebras that result from associating each color with a member of a three-dimensional manifold of spectra. This association can be used to construct a color product, defined as the color of the spectrum of the wavelength-wise product of the spectra associated with the two input colors. The choice of the spectral manifold determines the behavior of the resulting system, and certain special subspaces allow computational efficiencies. The resulting systems can be used to improve computer graphic rendering techniques, and to model various perceptual phenomena such as color constancy.

color constancy↗
DOE OSTI2023

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Implementation of CMFD Acceleration Scheme in PROTEUS-MOC

The PROTEUS-MOC code is a three-dimensional (3D) transport code, which is being developed at Argonne National Laboratory under the DOE-NE's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. It provides a fully consistent 3D discretization of the transport equation by combining the two-dimensional (2D) method of characteristics (MOC) for the planar direction with the discontinuous Galerkin method for the treatment of the axial variable. PROTEUS-MOC uses the unstructured finite element method (FEM) and thus allows the explicit representation of any extruded geometries. It also has a capability of massively parallel computation in energy group, angle, plane, and space using a top-level GMRES linear algebra solver. For parallel computation in space, it uses an unstructured domain decomposition by adapting METIS. The computational burden for direct heterogeneous core calculations based on unstructured geometries is excessive for practical reactor problems, and hence it is essential to implement an efficient acceleration scheme in PROTEUS-MOC. Recently, the coarse mesh finite difference (CMFD) method, which was originally applied to the nodal diffusion methods, has been successfully applied to the MOC transport solvers, resulting in a remarkable reduction in the number of fission source iterations. In addition, a modified CMFD method has been developed to overcome the limitation of the conventional CMFD that is applicable only to neutronics solvers with a conservative discretization. This CMFD method was derived to be consistent with the FEM, which is based on a nonconservative discretization. In this method, the neutron balance in each coarse mesh is enforced by introducing a pseudo absorption cross section (PAXS), and the well-established alternating solution process of CMFD and transport calculations is employed to accelerate source convergence. This modified CMFD acceleration scheme was adopted in PROTEUS-MOC to accelerate the fission source iteration. Pin-cell and assembly based CMFD schemes have been implemented by defining individual pin cells or assemblies as a coarse mesh. For this, an algorithm to map the finite elements to coarse meshes was developed, and the routines were developed to determine the coupling coefficients and PAXS of the CMFD equations from the transport solution. Preliminary performance tests were carried out using the C5G7 benchmark problem. This paper presents the main features of this CMFD acceleration scheme and the preliminary test results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Entanglement entropy of a color flux tube in (2+1)D Yang-Mills theory

We construct a novel flux tube entanglement entropy (FTE 2 ), defined as the excess entanglement entropy relative to the vacuum of a region of color flux stretching between a heavy quark-anti-quark pair in pure gauge Yang-Mills theory. We show that FTE 2 can be expressed in terms of correlators of Polyakov loops, is manifestly gauge-invariant, and therefore free of the ambiguities in computations of the entanglement entropy in gauge theories related to the choice of the center algebra. Employing the replica trick, we compute FTE 2 for SU(2) Yang-Mills theory in (2+1)D and demonstrate that it is finite in the continuum limit. We explore the properties of FTE 2 for a half-slab geometry, which allows us to vary the width and location of the slab, and the extent to which the slab cross-cuts the color flux tube. Following the intuition provided by computations of FTE 2 in (1+1)D, and in a thin string model, we examine the extent to which our FTE 2 results can be interpreted as the sum of an internal color entropy and a vibrational entropy corresponding to the transverse excitations of the string.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Optical characterization of free electron concentration in heteroepitaxial InN layers using Fourier transform infrared spectroscopy and a 2 Multiplication-Sign 2 transfer-matrix algebra

Fourier Transform Infrared (FTIR) reflectance spectroscopy has been implemented as a non-destructive, non-invasive, tool for the optical characterization of a set of c-plane InN single heteroepitaxial layers spanning a wide range of thicknesses (30-2000 nm). The c-plane (0001) InN epilayers were grown by plasma-assisted molecular beam epitaxy (PAMBE) on GaN(0001) buffer layers which had been grown on Al{sub 2}O{sub 3}(0001) substrates. It is shown that for arbitrary multilayers with homogeneous anisotropic layers having their principal axes coincident with the laboratory coordinates, a 2 Multiplication-Sign 2 matrix algebra based on a general transfer-matrix method (GTMM) is adequate to interpret their optical response. Analysis of optical reflectance in the far and mid infrared spectral range has been found capable to discriminate between the bulk, the surface and interface contributions of free carriers in the InN epilayers revealing the existence of electron accumulation layers with carrier concentrations in mid 10{sup 19} cm{sup -3} at both the InN surface and the InN/GaN interface. The spectra could be fitted with a three-layer model, determining the different electron concentration and mobility values of the bulk and of the surface and the interface electron accumulation layers in the InN films. The variation of these values with increasing InN thickness could be also sensitively detected by the optical measurements. The comparison between the optically determined drift mobility and the Hall mobility of the thickest sample reveals a value of r{sub H} = 1.49 for the Hall factor of InN at a carrier concentration of 1.11 Multiplication-Sign 10{sup 19} cm{sup -3} at 300 Degree-Sign {Kappa}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Successive phase transitions and kink solutions in Φ⁸, Φ¹⁰, and Φ¹² field theories

We obtain exact solutions for kinks in Φ⁸, Φ¹⁰, and Φ¹² field theories with degenerate minima, which can describe a second-order phase transition followed by a first-order one, a succession of two first-order phase transitions and a second-order phase transition followed by two first-order phase transitions, respectively. Such phase transitions are known to occur in ferroelastic and ferroelectric crystals and in meson physics. In particular, we find that the higher-order field theories have kink solutions with algebraically-decaying tails and also asymmetric cases with mixed exponential-algebraic tail decay, unlike the lower-order Φ⁴ and Φ⁶ theories. Additionally, we construct distinct kinks with equal energies in all three field theories considered, and we show the co-existence of up to three distinct kinks (for a Φ¹² potential with six degenerate minima). We also summarize phonon dispersion relations for these systems, showing that the higher-order field theories have specific cases in which only nonlinear phonons are allowed. For the Φ¹⁰ field theory, which is a quasi-exactly solvable (QES) model akin to Φ⁶, we are also able to obtain three analytical solutions for the classical free energy as well as the probability distribution function in the thermodynamic limit.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Recursive dynamics for flexible multibody systems using spatial operators

Due to their structural flexibility, spacecraft and space manipulators are multibody systems with complex dynamics and possess a large number of degrees of freedom. Here the spatial operator algebra methodology is used to develop a new dynamics formulation and spatially recursive algorithms for such flexible multibody systems. A key feature of the formulation is that the operator description of the flexible system dynamics is identical in form to the corresponding operator description of the dynamics of rigid multibody systems. A significant advantage of this unifying approach is that it allows ideas and techniques for rigid multibody systems to be easily applied to flexible multibody systems. The algorithms use standard finite-element and assumed modes models for the individual body deformation. A Newton-Euler Operator Factorization of the mass matrix of the multibody system is first developed. It forms the basis for recursive algorithms such as for the inverse dynamics, the computation of the mass matrix, and the composite body forward dynamics for the system. Subsequently, an alternative Innovations Operator Factorization of the mass matrix, each of whose factors is invertible, is developed. It leads to an operator expression for the inverse of the mass matrix, and forms the basis for the recursive articulated body forward dynamics algorithm for the flexible multibody system. For simplicity, most of the development here focuses on serial chain multibody systems. However, extensions of the algorithms to general topology flexible multibody systems are described. While the computational cost of the algorithms depends on factors such as the topology and the amount of flexibility in the multibody system, in general, it appears that in contrast to the rigid multibody case, the articulated body forward dynamics algorithm is the more efficient algorithm for flexible multibody systems containing even a small number of flexible bodies. The variety of algorithms described here permits a user to choose the algorithm which is optimal for the multibody system at hand. The availability of a number of algorithms is even more important for real-time applications, where implementation on parallel processors or custom computing hardware is often necessary to maximize speed.

Jain, A.↗
DOE OSTI2020

A low-rank solver for the stochastic unsteady Navier–Stokes problem

Here we study a low-rank iterative solver for the unsteady Navier–Stokes equations for incompressible flows with a stochastic viscosity. The equations are discretized using the stochastic Galerkin method, and we consider an all-at-once formulation where the algebraic systems at all the time steps are collected and solved simultaneously. The problem is linearized with Picard’s method. To efficiently solve the linear systems at each step, we use low-rank tensor representations within the Krylov subspace method, which leads to significant reductions in storage requirements and computational costs. Combined with effective mean-based preconditioners and the idea of inexact solve, we show that only a small number of linear iterations are needed at each Picard step. The proposed algorithm is tested with a model of flow in a two-dimensional symmetric step domain with different settings to demonstrate the computational efficiency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Seniority eigenstate configuration interaction

Zero-seniority methods have shown great promise for the description of strongly correlated electronic systems. Other seniority sectors have been much less explored, and in particular, the maximal seniority sector and zero seniority have the same underlying algebraic structure. We introduce a seniority eigenstate configuration interaction in which the wave function is constrained to have good fixed local seniority for each paired orbital, by which we mean we partition orbitals into a pairing set with seniority zero, and a spin set with seniority one. Here, we show how to build the effective Hamiltonian for this ansatz, and demonstrate that high-seniority wave functions have unexpectedly excellent accuracy for strongly correlated fermionic systems, with accuracy competitive with or better than seniority zero for the Hubbard model and for the dissociation of the nitrogen molecule.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1984

Theoretical analysis of aircraft afterbody flow

The strongly interactive flow field about aircraft afterbodies is investigated using computational techniques by which the thin-shear-layer formulation of the compressible, Reynolds-averaged Navier-Stokes equations is solved. A time-dependent implicit numerical algorithm is used to obtain solutions for a variety of afterbody and nozzle geometries, within the class of bodies of revolution, for both subsonic and supersonic external flow, and for sonic and supersonic underexpanded jets. Only centered nozzles with either a sharp lip or a blunt base are considered. In all cases, computed results are compared with experimental data taken at flight Reynolds numbers for like-flow conditions. Turbulence closure is realized using algebraic eddy-viscosity concepts. A new and unique adaptive-grid technique is used to resolve flow regimes with large gradients and to improve the accuracy and efficiency of the computational scheme. Special singular point boundary conditions are used for similar purposes, and are especially effective for highly under-expanded jets. For all cases considered, except one with a very large base-to-nozzle-exit-diameter ratio, the agreement with experimental measurements is excellent. For geometries with large base regions, enhancements in the turbulence transport model are necessary to support improvements in the flow-field simulation.

Deiwert, G. S.↗
DOE OSTI2019

Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures

We advocate domain-specific virtual processors (DSVP) as a portability layer for expressing and executing domain-specific computational workloads on modern heterogeneous HPC architectures, with applications in quantum chemistry. Specifically, in this article we extend, generalize and better formalize the concept of a domain-specific virtual processor as applied to scientific high-performance computing. In particular, we introduce a system-wide recursive (hierarchical) hardware encapsulation mechanism into the DSVP architecture and specify a concrete microarchitectural design of an abstract DSVP from which specialized DSVP implementations can be derived for specific scientific domains. Furthermore, we demonstrate, an example of a domain-specific virtual processor specialized to numerical tensor algebra workloads, which is implemented in the ExaTENSOR library developed by the author with a primary focus on the quantum many-body computational workloads on large-scale GPU-accelerated HPC platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The magnetic structure of long-wavelength magnetohydrodynamic modes in current-carrying stellarator plasmas

Magnetic field fluctuations are observed in current-carrying stellarator plasmas when the rotational transform is close to a rational value at the edge of the plasma. At low plasma pressure, these fluctuations are associated with perturbed currents parallel to the equilibrium magnetic field lines. A model for these magnetohydrodynamic modes in a low-β, three-dimensional stellarator equilibria has been developed. A set of helical current filaments are constrained to mimic the structure of magnetic field lines on rational surfaces derived from three-dimensional (3D) equilibrium reconstructions. Transformation to straight field line coordinates then allows fitting of the poloidal magnetic sensor data to a single harmonic function, which fixes the modeled toroidal mode structure via the field line flow geometry. The developed procedure accurately captures phase and amplitude variation for m/n = 3/2, 3/1, and 4/1 modes in the 3D equilibria of the compact toroidal hybrid experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Restoring permutational invariance in the Jordan–Wigner transformation

The Jordan–Wigner transformation is a powerful tool for converting systems of spins into systems of fermions, or vice versa. While this mapping is exact, the transformation itself depends on the labelling of the spins. One consequence of this dependence is that approximate solutions of a Jordan–Wigner-transformed Hamiltonian may depend on the (physically inconsequential) labelling of the spins. In this work, we turn to an extended Jordan–Wigner transformation which remedies this problem and which may also introduce some correlation atop the Hartree–Fock solution of a transformed spin Hamiltonian. We demonstrate that this extended Jordan–Wigner transformation can be thought of as arising from a unitary version of the Lie algebraic similarity transformation (LAST) theory. Here, we show how these ideas, particularly in combination with the standard (non-unitary) version of LAST, can provide a potentially powerful tool for the treatment of the XXZ and J 1 –J 2 Heisenberg Hamiltonians.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Planar, longitudinal, compressive waves in solids: Thermodynamics and uniaxial strain restrictions

A new tri-axial pressure-based constitutive expression has been found using Cauchy's stress tensor. This stress state emphasizes pressure and shear stress. The description is a pressure plus an effective shear stress allowing for a constitutive law based on atomic solid-state phase changes in crystalline cells due to pressure plus shear-based dislocation motion commonly associated with plasticity. Pressure has a new role in the material's constitutive response as it is separated from plasticity. The thermo-mechanical system describes third-order Gibbs’ expressions without specific volume restrictions placed upon the material. Isothermally, the ratio of heat to shear work in elastic copper is shown to approach zero at a very low temperature and become larger than one as temperature approaches melting. Wave compression models investigated are elastic and plastic: in fully elastic materials, the planar wave is restricted by Poisson's effect although plastic shear changes this constraint. Plastic deformation, dominated by dissipative shear stresses in uniaxial strain, heats the material while excluding phase changes from hydrostatic pressures. The material properties per se across Hugoniot shocks are described with entropy concepts. Shock waves are exceedingly complex since the constitutive laws are linked at extreme temperatures, pressures, and shear stresses. Isothermal, isentropic, isochoric, and iso-shear conditions are used throughout with Jacobian algebra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗