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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 OSTI2022

Vector boson pair production at one loop: analytic results for the process $q\bar{q}$$ℓ\bar{ℓ}$$ℓ'\bar{ℓ}'g$

We present compact analytic results for the one-loop amplitude for the process 0 → $q\bar{q}$$ℓ\bar{ℓ}$$ℓ'\bar{ℓ}'g$, relevant for both the production of a pair of Z and W-bosons in association with a jet. We focus on the gauge-invariant contribution mediated by a loop of quarks. We explicitly include all effects of the loop-quark mass m, appropriate for the production of a pair of Z-bosons. In the limit m → 0, our results are also applicable to the production of W-boson pairs, mediated by a loop of massless quarks. Implemented in a numerical code, the results are fast. The calculation uses novel advancements in spinor-helicity simplification techniques, for the first time applied beyond five-point massless kinematics. We make use of primary decompositions from algebraic-geometry, which now involve non-radical ideals, and p-adic numbers from number theory. We show how to infer whether numerator polynomials belong to symbolic powers of non-radical ideals through numerical evaluations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Dedekind η-Function in Modern Research

In this paper, we describe properties of the Dedekind η-function, constructions arising from it, and their applications in various topics of the number theory and algebra. We discuss connections with the group representation theory and the study of the structure of spaces of modular forms. Special attention is paid to the special class of modular forms, namely, η-functions with multiplicative coefficients.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Quantum Hall Effect and Langlands Program

Recent advances in the Langlands program shed light on a vast area of modern mathematics from an unconventional viewpoint, including number theory, gauge theory, representation, knot theory and etc. By applying to physics, these novel perspectives endow with a unified account of the (integer/ fractional) quantum Hall effect. The plateaus of the Hall conductance are described by Hecke eigensheaves of the geometric Langlands correspondence. Especially, the particle-vortex duality, which is explained by S-duality of Chern–Simons theory, corresponds to the Langlands duality in Wilson and Hecke operators. Moreover the Langlands duality in the quantum group associated with the Hamiltonian describes fractal energy spectrum structure, know as Hofstadter’s butterfly. These results suggest that the Langlands program has many physically realistic meanings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Sound and turbulence modulation by particles in high-speed shear flows

High-speed free-shear-flow turbulence, laden with droplets or particles, can radiate weaker pressure fluctuations than its unladen counterpart. In this study, Eulerian–Lagrangian simulations of high-speed temporally evolving shear layers laden with monodisperse, adiabatic, inertial particles are used to examine particle–turbulence interactions and their effect on radiated pressure fluctuations. An evolution equation for gas-phase pressure intensity is formulated for particle-laden flows, and local mechanisms of pressure changes are quantified over a range of Mach numbers and particle mass loadings. Particle–turbulence interactions alter the local pressure intensity directly via volume displacement (due to the flow of finite-size particles) and drag coupling (due to local slip velocity between phases), and indirectly through significant turbulence changes. The sound radiation intensity near subsonic mixing layers increases with mass loading, consistent with existing low Mach number theory. For supersonic flows, sound levels decrease with mass loading, consistent with trends observed in previous experiments. Particle-laden cases exhibit reduced turbulent kinetic energy compared to single-phase flow, providing one source of their sound changes; however, the subsonic flow does not support such an obvious source-to-sound decomposition to explain its sound intensity increase. Despite its decrease in turbulence intensity, the louder particle-laden subsonic flows show an increase in the magnitude and time-rate-of-change of fluid dilatation, providing a mechanism for its increased sound radiation. Contrasting this, the quieter supersonic particle-laden flows exhibit decreased gas-phase dilatation yet its time-rate-of-change is relatively insensitive to mass loading, supporting such a connection.

Mechanics↗
DOE OSTI2020

Perovskite neural trees

Trees are used by animals, humans and machines to classify information and make decisions. Natural tree structures displayed by synapses of the brain involves potentiation and depression capable of branching and is essential for survival and learning. Demonstration of such features in synthetic matter is challenging due to the need to host a complex energy landscape capable of learning, memory and electrical interrogation. We report experimental realization of tree-like conductance states at room temperature in strongly correlated perovskite nickelates by modulating proton distribution under high speed electric pulses. This demonstration represents physical realization of ultrametric trees, a concept from number theory applied to the study of spin glasses in physics that inspired early neural network theory dating almost forty years ago. We apply the tree-like memory features in spiking neural networks to demonstrate high fidelity object recognition, and in future can open new directions for neuromorphic computing and artificial intelligence.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Gaussian distributions, Jacobi group, and Siegel-Jacobi space

Let N be the space of Gaussian distribution functions over ℝ, regarded as a 2-dimensional statistical manifold parameterized by the mean μ and the deviation σ. In this paper, we show that the tangent bundle of N, endowed with its natural Kähler structure, is the Siegel-Jacobi space appearing in the context of Number Theory and Jacobi forms. Geometrical aspects of the Siegel-Jacobi space are discussed in detail (completeness, curvature, group of holomorphic isometries, space of Kähler functions, and relationship to the Jacobi group), and are related to the quantum formalism in its geometrical form, i.e., based on the Kähler structure of the complex projective space. This paper is a continuation of our previous work [M. Molitor, “Remarks on the statistical origin of the geometrical formulation of quantum mechanics,” Int. J. Geom. Methods Mod. Phys. 9(3), 1220001, 9 (2012); M. Molitor, “Information geometry and the hydrodynamical formulation of quantum mechanics,” e-print arXiv (2012); M. Molitor, “Exponential families, Kähler geometry and quantum mechanics,” J. Geom. Phys. 70, 54–80 (2013)], where we studied the quantum formalism from a geometric and information-theoretical point of view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On control of continuous dynamical polysystems in discrete times

This paper considers control systems with a finite number of control parameters, i.e. dynamical polysystems. It is assumed that control switchings can occur only at certain discrete times. Statistical methods in number theory are used to investigate the controllability of these systems. Existence of control switching times is established through analysis of Diophantine equations. The values of control switching times are found through suitable numerical methods. Certain assertions on the controllability of the polysystems of the class under consideration are proved. Some examples are considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

From plane waves to local Gaussians for the simulation of correlated periodic systems

Here, we present a simple, robust, and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on the representation of the Gaussians within a finite bandwidth by their underlying plane wave coefficients. The core region is handled within the projected augment wave framework, by pseudizing the Gaussian functions within a cutoff radius around each nucleus, smoothing the functions so that they are faithfully represented by a plane wave basis with only moderate kinetic energy cutoff. To mitigate the effects of the basis set superposition error and incompleteness at the mean-field level introduced by the Gaussian basis, we also propose a hybrid approach, whereby the complete occupied space is first converged within a large plane wave basis, and the Gaussian basis used to construct a complementary virtual space for the application of correlated methods. We demonstrate that these pseudized Gaussians yield compact and systematically improvable spaces with an accuracy comparable to their non-pseudized Gaussian counterparts. A key advantage of the described method is its ability to efficiently capture and describe electronic correlation effects of weakly bound and low-dimensional systems, where plane waves are not sufficiently compact or able to be truncated without unphysical artifacts. We investigate the accuracy of the pseudized Gaussians for the water dimer interaction, neon solid, and water adsorption on a LiH surface, at the level of second-order Møller–Plesset perturbation theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Topological aspects of matters and Langlands program

The Langlands program is a vast mathematical projection linking number theory and geometry. In high-energy physics, a connection with mirror symmetry has been suggested in string theory, but it has been little studied in low-energy physics. In the framework of the Langlands program, we present a unified description of the integer and fractional quantum Hall effect and the duality found in the fractal nature of the energy spectrum of two-dimensional Bloch electrons, statistical physics, and quantum computation. The new unified view of existing dualism presented in this paper raises the entirely new question of how each theory of physics is connected as a piece of the Langlands program.

Physics↗
DOE OSTI2023

Hardware-Conscious Optimization of the Quantum Toffoli Gate

While quantum computing holds great potential in combinatorial optimization, electronic structure calculation, and number theory, the current era of quantum computing is limited by noisy hardware. Many quantum compilation approaches can mitigate the effects of imperfect hardware by optimizing quantum circuits for objectives such as critical path length. Few approaches consider quantum circuits in terms of the set of vendor-calibrated operations (i.e., native gates) available on target hardware. This manuscript expands the analytical and numerical approaches for optimizing quantum circuits at this abstraction level. We present a procedure for combining the strengths of analytical native gate-level optimization with numerical optimization. Although we focus on optimizing Toffoli gates on the IBMQ native gate set, the methods presented are generalizable to any gate and superconducting qubit architecture. Our optimized Toffoli gate implementation demonstrates an 18% reduction in infidelity compared with the canonical implementation as benchmarked on IBM Jakarta with quantum process tomography. Assuming the inclusion of multi-qubit cross-resonance (MCR) gates in the IBMQ native gate set, we produce Toffoli implementations with only six multi-qubit gates, a 25% reduction from the canonical eight multi-qubit implementations for linearly connected qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Evaluating one-loop string amplitudes

We evaluate one-loop open-string amplitudes at finite \alpha' α ′ for the first time. Our method involves a deformation of the integration contour over the modular parameter \tau τ to a fractal contour introduced by Rademacher in the context of analytic number theory. This procedure leads to explicit and practical formulas for the one-loop four-point amplitudes in type-I superstring theory, amenable to numerical evaluation. We plot the amplitudes as a function of the Mandelstam invariants s s and t t and directly verify long-standing conjectures about their behaviour at high energies.

Eberhardt, Lorenz↗
NASA NTRS1979

NASF transposition network: A computing network for unscrambling p-ordered vectors

The viewpoints of design, programming, and application of the transportation network (TN) is presented. The TN is a programmable combinational logic network that connects 521 memory modules to 512 processors. The unscrambling of p-ordered vectors to 1-ordered vectors in one cycle is described. The TN design is based upon the concept of cyclic groups from abstract algebra and primitive roots and indices from number theory. The programming of the TN is very simple, requiring only 20 bits: 10 bits for offset control and 10 bits for barrel switch shift control. This simple control is executed by the control unit (CU), not the processors. Any memory access by a processor must be coordinated with the CU and wait for all other processors to come to a synchronization point. These wait and synchronization events can be a degradation in performance to a computation. The TN application is for multidimensional data manipulation, matrix processing, and data sorting, and can also perform a perfect shuffle. Unlike other more complicated and powerful permutation networks, the TN cannot, if possible at all, unscramble non-p-ordered vectors in one cycle.

Lim, R. S.↗
NASA NTRS1959

Hydrodynamic Characteristics of Two Low-Drag Supercavitating Hydrofoils

An experimental investigation has been conducted in Langley tank no. 2 to determine the hydrodynamic characteristics of two low-drag supercavitating hydrofoils operating in a range of cavitation numbers from 0 to approximately 6. The hydrofoils had aspect ratios of 1 and 3, and the sections were derived by assuming five terms in the vorticity-distribution expansion of the equivalent airfoil. The aspect-ratio-1 hydrofoil was also tested at zero cavitation number with two sets of end plates having depths of 3/8 and 1/4 chords. Zero cavitation number was established by operating the hydrofoils near the water surface so that complete ventilation of the upper surfaces could be obtained. For those depths of submersion where complete ventilation was not obtained through vortex ventilation, two probes were used to introduce air to the upper surfaces of the hydrofoils and to induce complete ventilation. Data were obtained for a range of speeds from 20 to 80 fps, angles of attack from 2 to 20 deg, and ratios of depth of submersion to chord from 0 to 0.85. The experimental results obtained from the aspect-ratio-1 and aspect-ratio-3, five-term hydrofoils were compared with a three-dimensional zero-cavitation-number theory. The theoretical and experimental values of lift and center of pressure for the aspect-ratio-1 hydrofoil were in agreement, within engineering accuracy, for the range of lift coefficients investigated. The theoretical drag coefficients were lower, by a constant amount, than the experimental drag coefficients. The theoretical expressions derived for the lift, drag, and center of pressure of the aspect-ratio-3 hydrofoil were in agreement, within engineering accuracy, with the experimental values. The theoretical and experimental drag coefficients of the aspect-ratio-3 five-term hydrofoil were lower than the theoretical drag coefficients computed for a comparable Tulin-Burkart hydrofoil.

McGehee, John R.↗
NASA NTRS1960

Experimental Investigation of Two Low-Drag Supercavitating Hydrofoils at Speeds up to 200 Feet per Second

An experimental investigation has been made in the Langley highspeed hydrodynamics facility to determine the force and moment characteristics of two hydrofoils (one having an aspect ratio of 1 and the other having an aspect ratio of 3) designed to have improved lift-drag ratios when operating under either supercavitating or ventilated conditions. Measurements were made of lift, drag, and pitching moment over a range of angles of attack from 40 to 200 for depths of submersion varying from 0 to approximately 1 chord. The range of speed for the investigation was from 110 to 200 feet per second. When the upper surface of the hydrofoils was completely unwetted, the experimental values of lift and drag forces were in good agreement with the theoretical values obtained from the zero-cavitation-number theory. The theoretical values for minimum angle of attack for operation with the upper surface of the hydrofoil unwetted define the lower limits of angle of attack for which the experimental values of lift coefficient are either in agreement with or slightly greater than those predicted by theory.

Christopher, Kenneth W.↗
DOE OSTI2024

Hartree–Fock–Bogoliubov theory for number-parity-violating fermionic Hamiltonians

It is usually asserted that physical Hamiltonians for fermions must contain an even number of fermion operators. This is indeed true in electronic structure theory. However, when the Jordan–Wigner (JW) transformation is used to map physical spin Hamiltonians to Hamiltonians of spinless fermions, terms that contain an odd number of fermion operators may appear. The resulting fermionic Hamiltonian thus does not have number parity symmetry and requires wave functions that do not have this symmetry either. In this work, we discuss the extension of standard Hartree–Fock–Bogoliubov (HFB) theory to the number-parity-nonconserving case. These ideas had appeared in the literature before but, perhaps for lack of practical applications, had, to the best of our knowledge, never been employed. We here present a useful application for this more general HFB theory based on coherent states of the SO(2M + 1) Lie group, where M is the number of orbitals. Here, we also show how using these unusual mean-field states can provide significant improvements when studying the JW transformation of chemically relevant spin Hamiltonians.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Reaction Rate Theory in Coordination Number Space: An Application to Ion Solvation

Understanding reaction mechanisms in many chemical and biological processes require application of rare event theories. In these theories, an effective choice of a reaction coordinate to describe a reaction pathway is essential. To this end, we study ion solvation in water using molecular dynamics simulations and explore the utility of coordination number (n = number of water molecules in the first solvation shell) as the reaction coordinate. Here we compute the potential of mean force (W(n)) using umbrella sampling, predicting multiple metastable n-states for both cations and anions. We find with increasing ionic size, these states become more stable and structured for cations when compared to anions. We have extended transition state theory (TST) to calculate transition rates between n-states. TST overestimates the rate constant due to solvent-induced barrier recrossings that are not accounted for. We correct the TST rates by calculating transmission coefficients using the reactive flux method. This approach enables a new way of understanding rare events involving coordination complexes. We gratefully acknowledge Liem Dang and Panos Stinis for useful discussion. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. SR, CJM, and GKS were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy.

Roy, Santanu↗