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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Equivariant Verlinde Formula from Fivebranes and Vortices

We study complex Chern–Simons theory on a Seifert manifold M 3 by embedding it into string theory. We show that complex Chern–Simons theory on M 3 is equivalent to a topologically twisted supersymmetric theory and its partition function can be naturally regularized by turning on a mass parameter. We find that the dimensional reduction of this theory to 2d gives the low energy dynamics of vortices in fourdimensional gauge theory, the fact apparently overlooked in the vortex literature. We also generalize the relations between (1) the Verlinde algebra, (2) quantum cohomology of the Grassmannian, (3) Chern–Simons theory on Σ × S 1 and (4) index of a spin c Dirac operator on the moduli space of flat connections to a new set of relations between (1) the “equivariant Verlinde algebra” for a complex group, (2) the equivariant quantum K-theory of the vortex moduli space, (3) complex Chern–Simons theory on Σ × S 1 and (4) the equivariant index of a spinc Dirac operator on the moduli space of Higgs bundles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Radiation Conditions and Integral Representations for Clifford Algebra-Valued Null-Solutions of the Helmholtz Operator

The goal of this paper is to develop a unified approach to radiation conditions for the entire class of null-solutions of the Helmholtz operator which are Clifford algebra-valued. The latter is an algebraic context which permits the simultaneous consideration of scalarvalued and vector-valued functions, as well as differential forms of any mixed degree. In such a setting, we provide a multitude of novel radiation conditions which naturally contain the classical Sommerfeld and Silver–Müller radiation conditions in the case of null-solutions for the scalar Helmholtz operator and the Maxwell system respectively, and which also encompass as a particular case the radiation condition introduced by McIntosh and Mitrea for perturbed Dirac operators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The Kastler-Kalau-Walze type theorem for six-dimensional manifolds with boundary

In this paper, we define lower dimensional volumes of spin manifolds with boundary. We compute the lower dimensional volume V ol{sub 6}{sup (1,3)} for 6-dimensional spin manifolds with boundary and derive the gravity on boundary from the noncommutative residue associated with Dirac operators. For 6-dimensional manifolds with boundary, we also get a Kastler-Kalau-Walze type theorem for a general fourth order operator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The Dirac point electron in zero-gravity Kerr–Newman spacetime

Dirac’s wave equation for a point electron in the topologically nontrivial maximal analytically extended electromagnetic Kerr–Newman spacetime is studied in a limit G → 0, where G is Newton’s constant of universal gravitation. The following results are obtained: the formal Dirac Hamiltonian on the static spacelike slices is essentially self-adjoint and the spectrum of the self-adjoint extension is symmetric about zero, featuring a continuum with a gap about zero that, under two smallness conditions, contains a point spectrum. The symmetry result extends to the Dirac operator on a generalization of the zero-G Kerr–Newman spacetime with different electric-monopole/magnetic-dipole-moment ratios.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Qualitative analysis of trapped Dirac fermions in graphene

We study the confinement of Dirac fermions in graphene and in carbon nanotubes by an external magnetic field, mechanical deformations or inhomogeneities in the substrate. By applying variational principles to the square of the Dirac operator, we obtain sufficient and necessary conditions for confinement of the quasi-particles. The rigorous theoretical results are illustrated on the realistic examples of the three classes of traps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Dispersionless wave packets in Dirac materials

We show that a wide class of quantum systems with translational invariance can host dispersionless, soliton-like, wave packets. We focus on the setting where the effective, two-dimensional Hamiltonian acquires the form of the Dirac operator. The proposed framework for construction of the dispersionless wave packets is illustrated on silicene-like systems with topologically nontrivial effective mass. Our analytical predictions are accompanied by a numerical analysis and possible experimental realizations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Ternary generalization of Pauli’s principle and the Z{sub 6}-graded algebras

We show how the discrete symmetries Z{sub 2} and Z{sub 3} combined with the superposition principle result in the SL(2,C) symmetry of quantum states. The role of Pauli’s exclusion principle in the derivation of the SL(2,C) symmetry is put forward as the source of the macroscopically observed Lorentz symmetry; then it is generalized for the case of the Z{sub 3} grading replacing the usual Z{sub 2} grading, leading to ternary commutation relations. We discuss the cubic and ternary generalizations of Grassmann algebra. Invariant cubic forms on such algebras are introduced, and it is shown how the SL(2,C) group arises naturally in the case of two generators only, as the symmetry group preserving these forms. The wave equation generalizing the Dirac operator to the Z{sub 3}-graded case is introduced, whose diagonalization leads to a sixthorder equation. The solutions of this equation cannot propagate because their exponents always contain non-oscillating real damping factor. We show how certain cubic products can propagate nevertheless. The model suggests the origin of the color SU(3) symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Solitons in lattice field theories via tight-binding supersymmetry

Reflectionless potentials play an important role in constructing exact solutions to classical dynamical systems (such as the Korteweg-de Vries equation), non-perturbative solutions of various large-N field theories (such as the Gross-Neveu model), and closely related solitonic solutions to the Bogoliubov-de Gennes equations in the theory of superconductivity. These solutions rely on the inverse scattering method, which reduces these seemingly unrelated problems to identifying reflectionless potentials of an auxiliary one-dimensional quantum scattering problem. There are several ways of constructing these potentials, one of which is quantum mechanical supersymmetry (SUSY). In this paper, motivated by recent experimental platforms, we generalize this framework to develop a theory of lattice solitons. We first briefly review the classical inverse scattering method in the continuum limit, focusing on the Korteweg-de Vries (KdV) equation and SU(N) Gross-Neveu model in the large N limit. We then generalize this methodology to lattice versions of interacting field theories. Our analysis hinges on the use of trace identities, which are relations connecting the potential of an equation of motion to the scattering data. For a discrete Schrödinger operator, such trace identities had been known as far back as Toda; however, we derive a new set of identities for the discrete Dirac operator. We then use these identities in a lattice Gross-Neveu and chiral Gross-Neveu (Nambu-Jona-Lasinio) model to show that lattice solitons correspond to reflectionless potentials associated with the discrete scattering problem. These models are of significance as they are equivalent to a mean-field theory of a lattice superconductor. To explicitly construct these solitons, we generalize supersymmetric quantum mechanics to tight-binding models. We show that a matrix transformation exists that maps a tight-binding model to an isospectral one which shares the same structure and scattering properties. The corresponding soliton solutions have both modulated hopping and onsite potential, the former of which has no analogue in the continuum limit. We explicitly compute both topological and non-topological soliton solutions as well as bound state spectra in the aforementioned models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1967

Physics

Polar substorm model on auroral effects, algebra of fermi-dirac operators applied to many-body problems, and dynamitron accelerator as thermal neutron source

MANY-BODY PROBLEM↗
DOE OSTI2023

Neutralizing topological obstructions to bubbles of nothing

Theories with compact extra dimensions can exhibit a vacuum instability known as a bubble of nothing. These decay modes can be obstructed if the internal manifold is stabilized by fluxes, or if it carries Wilson lines for background gauge fields, or if the instanton is incompatible with the spin structure. In each of these cases the decay can proceed by adding dynamical charged membranes or gauge fields. We give a general, bottom-up procedure for constructing approximate bubble of nothing solutions in models with internal spheres stabilized by flux and study the influence of the brane tension on the tunneling exponent, finding two branches of solutions that merge at a minimal superextremal value of the tension. In the case of Wilson operators and incompatible fermions, the relevant bubble is shown to be the Euclidean Reissner-Nordstrom black hole, and the ordinary decay exponent is modified by 1/g 2 effects. We examine the Dirac operator on this background and comment on the relevance for models of supergravity with gauged R-symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Microscopic origin of criticality at macroscale in QCD chiral phase transition

We reveal that the criticality of the chiral phase transition in QCD at the macroscale arises from the microscopic energy levels of its fundamental constituents, the quarks. We establish a novel relation between cumulants of the chiral order parameter (i.e., chiral condensate) and correlations among the energy levels of quarks (i.e., eigenspectra of the massless Dirac operator), which naturally leads to a generalization of the Banks-Casher relation. Based on this novel relation and through (2+1)-flavor lattice QCD calculations using the HISQ action with varying light quark masses in the vicinity of the chiral phase transition, we demonstrate that the correlations among the infrared part of the Dirac eigenspectra exhibit same universal scaling behaviors as expected of the cumulants of the chiral condensate. We find that these universal scaling behaviors extend up to the physical values of the up and down quark masses.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Optimizing a Multiple Right-Hand Side Dslash Kernel for Intel Knights Corner

Lattice Quantum Chromo-dynamics (LQCD) stands unique as the only computationally tractable, non-perturbative, and model-independent quantum field theory of the strong nuclear force. LQCD achieves tractability by discretizing our familiar 4-dimensional space-time onto a hypercubic lattice. The core component of the linear solver used in LQCD is the Wilson-Dirac operator whose finite difference component is called the Dslash operator. Dslash is a nearest neighbor stencil operator summing matrix-vector multiplications over lattice points. The arithmetic intensity of a regular Dslash operator acting on a single vector in single precision is between 0.88-2.29 (depending on the tricks employed) making it memory bandwidth bound on most current architectures, including Xeon Phi. Maximizing the performance of Dslash on Xeon Phi requires deliberate exploitation of its architectural features. One key feature of Xeon Phi is its powerful vector processing unit with lengthy vector registers. There is a class of LQCD computations which aims to solve the Dirac equation for the same lattice gauge fields multiple times. In this case one can gain additional reuse of the gauge field, and potentially simplified vectorization, through applying Dslash to several vectors at the same time; often referred to as Multiple Right Hand Side (MRHS) Dslash. Previous work in this area focused on applying this approach to the Highly Improved Staggered operator, and in cases to the multi-Grid algorithm for Wilson clover fermions. Here, we present two approaches to MRHS Dslash: a vector register blocking approach and one using the software package QPhiX with a custom Code Generator for low-level intrinsics. We explore the Knights Corner instruction set, memory hierarchy, and threading capabilities. For standard lattice sizes used in testing, we observed significant speedups, with sustained performance of over 700 GFLOPS (single precision) in one instance. We achieved up to 27% of theoretical peak performance compared to a maximum of 12% obtained by the previous single RHS method in QPhiX.

Joó, Bálint↗
DOE OSTI2015

Spawning rings of exceptional points out of Dirac cones

The Dirac cone underlies many unique electronic properties of graphene and topological insulators, and its band structure—two conical bands touching at a single point—has also been realized for photons in waveguide arrays, atoms in optical lattices, and through accidental degeneracy. Deformation of the Dirac cone often reveals intriguing properties; an example is the quantum Hall effect, where a constant magnetic field breaks the Dirac cone into isolated Landau levels. A seemingly unrelated phenomenon is the exceptional point, also known as the parity–time symmetry breaking point, where two resonances coincide in both their positions and widths. Exceptional points lead to counter-intuitive phenomena such as loss-induced transparency, unidirectional transmission or reflection, and lasers with reversed pump dependence or single-mode operation. Dirac cones and exceptional points are connected: it was theoretically suggested that certain non-Hermitian perturbations can deform a Dirac cone and spawn a ring of exceptional points. Here we experimentally demonstrate such an ‘exceptional ring’ in a photonic crystal slab. Angle-resolved reflection measurements of the photonic crystal slab reveal that the peaks of reflectivity follow the conical band structure of a Dirac cone resulting from accidental degeneracy, whereas the complex eigenvalues of the system are deformed into a two-dimensional flat band enclosed by an exceptional ring. This deformation arises from the dissimilar radiation rates of dipole and quadrupole resonances, which play a role analogous to the loss and gain in parity–time symmetric systems. In this study, our results indicate that the radiation existing in any open system can fundamentally alter its physical properties in ways previously expected only in the presence of material loss and gain.

14 SOLAR ENERGY↗
DOE OSTI2020

Multigrid deflation for Lattice QCD

Computing the trace of the inverse of large matrices is typically addressed through statistical methods. Deflating out the lowest eigenvectors or singular vectors of the matrix reduces the variance of the trace estimator. This work summarizes our efforts to reduce the computational cost of computing the deflation space while achieving the desired variance reduction for Lattice QCD applications. Previous efforts computed the lower part of the singular spectrum of the Dirac operator by using an eigensolver preconditioned with a multigrid linear system solver. Despite the improvement in performance in those applications, as the problem size grows the runtime and storage demands of this approach will eventually dominate the stochastic estimation part of the computation. In this work, we propose to compute the deflation space in one of the following two ways. First, by using an inexact eigensolver on the Hermitian, but maximally indefinite, operator. Second, by exploiting the fact that the multigrid prolongator for this operator is rich in components toward the lower part of the singular spectrum. We show experimentally that the inexact eigensolver can approximate the lower part of the spectrum even for ill-conditioned operators. Also, the deflation based on the multigrid prolongator is more efficient to compute and apply, and, despite its limited ability to approximate the fine level spectrum, it obtains similar variance reduction on the trace estimator as deflating with approximate eigenvectors from the fine level operator.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Energy window stochastic density functional theory

We report that linear scaling density functional theory is important for understanding electronic structure properties of nanometer scale systems. Recently developed stochastic density functional theory can achieve linear or even sublinear scaling for various electronic properties without relying on the sparsity of the density matrix. The basic idea relies on projecting stochastic orbitals onto the occupied space by expanding the Fermi-Dirac operator and repeating this for N χ stochastic orbitals. Often, a large number of stochastic orbitals are required to reduce the statistical fluctuations (which scale as N$-1/2\atop{χ}$) below a tolerable threshold. In this work, we introduce a new stochastic density functional theory that can efficiently reduce the statistical fluctuations for certain observable and can also be integrated with an embedded fragmentation scheme. The approach is based on dividing the occupied space into energy windows and projecting the stochastic orbitals with a single expansion onto all windows simultaneously. This allows for a significant reduction of the noise as illustrated for bulk silicon with a large supercell. Finally, we also provide theoretical analysis to rationalize why the noise can be reduced only for a certain class of ground state properties, such as the forces and electron density.

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

Chiral anomalies and Wilson fermions

The Wilson formulation of fermions in lattice gauge theory provides a unified description of the chiral anomalies in the standard model. The discrete Dirac operator diagonalizes into a series of 2 × 2 blocks. In each block the possible eigenvalues either form a complex pair or separate into two real eigenvalues that have specific chirality. The collision of these pairs of eigenvalues occurs outside the perturbative region and provides a path between topological sectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dirac spectral density in N f = 2 + 1 QCD at T = 230 MeV

We compute the renormalized Dirac spectral density in N f = 2 + 1 QCD at physical quark masses, temperature T = 230 MeV , and system size L s = 3.4 fm . To that end, we perform a pointwise continuum limit of the staggered density in lattice QCD with staggered quarks. We find, for the first time, that a clear infrared structure (IR peak) emerges in the density of the Dirac operator describing dynamical quarks. We also provide numerical evidence that a component of this peak, which becomes dominant in the thermodynamic limit, is due to a nontrivial accumulation of near-zero modes. Features of this structure are consistent with those previously attributed to the recently proposed IR phase of thermal QCD. Our results (i) provide the only complete first-principles evidence that these IR features exist and are physical, (ii) improve the upper bound for IR phase transition temperature T IR so that the new window is 200 < T IR < 230 MeV , and (iii) are consistent with the nonrestoration of anomalous U A ( 1 ) symmetry (chiral limit) below T = 230 MeV . Published by the American Physical Society 2024

Alexandru, Andrei (ORCID:0000000345471554)↗
DOE OSTI2016

Multiscale Monte Carlo equilibration: Two-color QCD with two fermion flavors

In this study, we demonstrate the applicability of a recently proposed multiscale thermalization algorithm to two-color quantum chromodynamics (QCD) with two mass-degenerate fermion flavors. The algorithm involves refining an ensemble of gauge configurations that had been generated using a renormalization group (RG) matched coarse action, thereby producing a fine ensemble that is close to the thermalized distribution of a target fine action; the refined ensemble is subsequently rethermalized using conventional algorithms. Although the generalization of this algorithm from pure Yang-Mills theory to QCD with dynamical fermions is straightforward, we find that in the latter case, the method is susceptible to numerical instabilities during the initial stages of rethermalization when using the hybrid Monte Carlo algorithm. We find that these instabilities arise from large fermion forces in the evolution, which are attributed to an accumulation of spurious near-zero modes of the Dirac operator. We propose a simple strategy for curing this problem, and demonstrate that rapid thermalization--as probed by a variety of gluonic and fermionic operators--is possible with the use of this solution. Also, we study the sensitivity of rethermalization rates to the RG matching of the coarse and fine actions, and identify effective matching conditions based on a variety of measured scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗