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At least 19 records

Commuting projections on graphs

For a given (connected) graph, we consider vector spaces of (discrete) functions defined on its vertices and its edges. These two spaces are related by a discrete gradient operator, Grad and its adjoint, ₋Div, referred to as (negative) discrete divergence. We also consider a coarse graph obtained by aggregation of vertices of the original one. Then a coarse vertex space is identified with the subspace of piecewise constant functions over the aggregates. We consider the ℓ 2 -projection Q H onto the space of these piecewise constants. In the present paper, our main result is the construction of a projection π H from the original edge-space onto a properly constructed coarse edge-space associated with the edges of the coarse graph. The projections π H and Q H commute with the discrete divergence operator, i.e., we have div π H = Q H div. The respective pair of coarse edge-space and coarse vertexspace offer the potential to construct two-level, and by recursion, multilevel methods for the mixed formulation of the graph Laplacian which utilizes the discrete divergence operator. The performance of one two-level method with overlapping Schwarz smoothing and correction based on the constructed coarse spaces for solving such mixed graph Laplacian systems is illustrated on a number of graph examples.

97 MATHEMATICS AND COMPUTING↗

Projected Commutator DIIS Method for Accelerating Hybrid Functional Electronic Structure Calculations

The commutator direct inversion of the iterative subspace (commutator DIIS or C-DIIS) method developed by Pulay is an efficient and the most widely used scheme in quantum chemistry to accelerate the convergence of self-consistent field (SCF) iterations in Hartree–Fock theory and Kohn–Sham density functional theory. The C-DIIS method requires the explicit storage of the density matrix, the Fock matrix, and the commutator matrix. Hence, the method can only be used for systems with a relatively small basis set, such as the Gaussian basis set. We develop a new method that enables the C-DIIS method to be efficiently employed in electronic structure calculations with a large basis set such as planewaves for the first time. The key ingredient is the projection of both the density matrix and the commutator matrix to an auxiliary matrix called the gauge-fixing matrix. The resulting projected commutator-DIIS method (PC-DIIS) only operates on matrices of the same dimension as that consists of Kohn–Sham orbitals. The cost of the method is comparable to that of standard charge mixing schemes used in large basis set calculations. The PC-DIIS method is gauge-invariant, which guarantees that its performance is invariant with respect to any unitary transformation of the Kohn–Sham orbitals. We demonstrate that the PC-DIIS method can be viewed as an extension of an iterative eigensolver for nonlinear problems. We use the PC-DIIS method for accelerating Kohn–Sham density functional theory calculations with hybrid exchange–correlation functionals, and demonstrate its superior performance compared to the commonly used nested two-level SCF iteration procedure. Furthermore, we demonstrate that in the context of ab initio molecular dynamics (MD) simulation with hybrid functionals one can extrapolate the gauge-fixing matrix to achieve the goal of extrapolating the entire density matrix implicitly along the MD trajectory. Here, numerical results indicate that the new method significantly reduces the number of SCF iterations per MD step, compared to the commonly used strategy of extrapolating the electron density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Noncommuting observables in quantum detection and estimation theory

Basing decisions and estimates on simultaneous approximate measurements of noncommuting observables in a quantum receiver is shown to be equivalent to measuring commuting projection operators on a larger Hilbert space than that of the receiver itself. The quantum-mechanical Cramer-Rao inequalities derived from right logarithmic derivatives and symmetrized logarithmic derivatives of the density operator are compared, and it is shown that the latter give superior lower bounds on the error variances of individual unbiased estimates of arrival time and carrier frequency of a coherent signal. For a suitably weighted sum of the error variances of simultaneous estimates of these, the former yield the superior lower bound under some conditions.

Helstrom, C. W.↗

Noncommuting observables in quantum detection and estimation theory

Basing decisions and estimates on simultaneous approximate measurements of noncommuting observables in a quantum receiver is shown to be equivalent to measuring commuting projection operators on a large Hilbert space than that of the receiver itself. The quantum-mechanical Cramer-Rao inequalities derived from right logarithmic derivatives and symmetrized logarithmic derivatives of the density operator are compared, and it is shown that the latter give superior lower bounds on the error variances of individual unbiased estimates of arrival time and carrier frequency of a coherent signal. For a suitably weighted sum of the error variances of simultaneous estimates of these, the former yield the superior lower bound under some conditions.

Helstrom, C. W.↗

The Langley turbo-prop commuter design: A complete project description

The primary objective of this project was to propose and prove the possibility of a new, advanced technology commuter aircraft design. Among the specifications were short to medium range capabilities, low seat per mile cost, fuel efficiency, and passenger comfort. Based on market evaluation, we found that the optimum size for new regional aircraft is around 50 passengers; we have designed our aircraft for this capacity. Turboprop engines provide substantial reductions in operating costs due to lower fuel consumption. We have therefore chosen an advanced turboprop engine. Composite materials, while more expensive to purchase and manufacture, result in decreased costs later through weight savings and ease of replacement.

Buttram, Greg↗

Groups of homeomorphisms of the line. Criteria for the existence of invariant and projectively invariant measures in terms of the commutator subgroup

Existence criteria for invariant and projectively invariant measures are obtained for a group G of homeomorphisms of the line. These criteria are formulated in terms of the commutator subgroup [G,G]. For the special (but very important) case of groups of homeomorphisms of the line containing a freely acting element we obtain a criterion for the existence of a projectively invariant measure in the form of the absence of a special subgroup with two generators in which one of the generating elements is a freely acting element. Bibliography: 20 titles.

97 MATHEMATICS AND COMPUTING↗

VTOL as it applies to resource development in the Canadian north

It is pointed out that, for many of the natural resource development projects planned in Canada between now and the end of the century, it may be necessary for the work force to commute to the site by air. Examples of successful operations, including those involving VTOL, are given. A computer program developed for determining the least expensive type of aircraft for commuting to remote projects is described. It is noted that the program can select both fixed-wing and helicopter aircraft types for a specific project, employing such variables as the size and shift schedules of the work force and the commuting distance. Capital and operating costs of existing and proposed aircraft types, as well as groundside infrastructure operations and maintenance costs, are compared for competing aircraft.

Lightfoot, R. N.↗

Noncommutative Common Cause Principles in algebraic quantum field theory

States in algebraic quantum field theory 'typically' establish correlation between spacelike separated events. Reichenbach's Common Cause Principle, generalized to the quantum field theoretical setting, offers an apt tool to causally account for these superluminal correlations. In the paper we motivate first why commutativity between the common cause and the correlating events should be abandoned in the definition of the common cause. Then we show that the Noncommutative Weak Common Cause Principle holds in algebraic quantum field theory with locally finite degrees of freedom. Namely, for any pair of projections A, B supported in spacelike separated regions V{sub A} and V{sub B}, respectively, there is a local projection C not necessarily commuting with A and B such that C is supported within the union of the backward light cones of V{sub A} and V{sub B} and the set {l_brace}C, C{sup Up-Tack }{r_brace} screens off the correlation between A and B.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sampling Versus Filtering in Large-Eddy Simulations

A LES formalism in which the filter operator is replaced by a sampling operator is proposed. The unknown quantities that appear in the LES equations originate only from inadequate resolution (Discretization errors). The resulting viewpoint seems to make a link between finite difference approaches and finite element methods. Sampling operators are shown to commute with nonlinearities and to be purely projective. Moreover, their use allows an unambiguous definition of the LES numerical grid. The price to pay is that sampling never commutes with spatial derivatives and the commutation errors must be modeled. It is shown that models for the discretization errors may be treated using the dynamic procedure. Preliminary results, using the Smagorinsky model, are very encouraging.

Debliquy, O.↗

Maximal quantum mechanical symmetry: Projective representations of the inhomogeneous symplectic group

A symmetry in quantum mechanics is described by the projective representations of a Lie symmetry group that transforms between physical quantum states such that the square of the modulus of the states is invariant. The Heisenberg commutation relations that are fundamental to quantum mechanics must be valid in all of these physical states. This paper shows that the maximal quantum symmetry group, whose projective representations preserve the Heisenberg commutation relations in this manner, is the inhomogeneous symplectic group. The projective representations are equivalent to the unitary representations of the central extension of the inhomogeneous symplectic group. This centrally extended group is the semidirect product of the cover of the symplectic group and the Weyl-Heisenberg group. Its unitary irreducible representations are computed explicitly using the Mackey representation theorems for semidirect product groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

We have just begun to create efficient transport aircraft

Factors affecting the cost-effectiveness and economics of the air transportation industry are reviewed. The delivery of more fuel-efficient aircraft and eventual total replacement in the 1990's by fleets of advanced aircraft are seen to offset rising fuel costs. Better airport operations are perceived to eliminate fuel-costly delays due to overcrowded runways, lack of available carriers, and maintenance of aircraft in holding patterns. Noise reduction research will lower the lawsuit costs from noise pollution, and the introduction of advanced turbofans for long, short, and medium range flights, advanced commuter planes, and advanced SSTs offering projected 50% increases in current aircraft efficiencies are seen to be limited only by the airlines' ability to provide purchase financing, rather than by a lack of available new technology.

Maglieri, D. J.↗

What the complex joint probabilities observed in weak measurements can tell us about quantum physics

Quantummechanics does not permit joint measurements of non-commuting observables. However, it is possible to measure the weak value of a projection operator, followed by the precise measurement of a different property. The results can be interpreted as complex joint probabilities of the two non-commuting measurement outcomes. Significantly, it is possible to predict the outcome of completely different measurements by combining the joint probabilities of the initial state with complex conditional probabilities relating the new measurement to the possible combinations of measurement outcomes used in the characterization of the quantum state. We can therefore conclude that the complex conditional probabilities observed in weak measurements describe fundamental state-independent relations between non-commuting properties that represent the most fundamental form of universal laws in quantum physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cost/benefit analysis of advanced materials technology candidates for the 1980's, part 2

Cost/benefit analyses to evaluate advanced material technologies projects considered for general aviation and turboprop commuter aircraft through estimated life-cycle costs, direct operating costs, and development costs are discussed. Specifically addressed is the selection of technologies to be evaluated; development of property goals; assessment of candidate technologies on typical engines and aircraft; sensitivity analysis of the changes in property goals on performance and economics, cost, and risk analysis for each technology; and ranking of each technology by relative value. The cost/benefit analysis was applied to a domestic, nonrevenue producing, business-type jet aircraft configured with two TFE731-3 turbofan engines, and to a domestic, nonrevenue producing, business type turboprop aircraft configured with two TPE331-10 turboprop engines. In addition, a cost/benefit analysis was applied to a commercial turboprop aircraft configured with a growth version of the TPE331-10.

Dennis, R. E.↗

Design of a digital ride quality augmentation system for commuter aircraft

Commuter aircraft typically have low wing loadings, and fly at low altitudes, and so they are susceptible to undesirable accelerations caused by random atmospheric turbulence. Larger commercial aircraft typically have higher wing loadings and fly at altitudes where the turbulence level is lower, and so they provide smoother rides. This project was initiated based on the goal of making the ride of the commuter aircraft as smooth as the ride experienced on the major commercial airliners. The objectives of this project were to design a digital, longitudinal mode ride quality augmentation system (RQAS) for a commuter aircraft, and to investigate the effect of selected parameters on those designs.

Hammond, T. A.↗

Curvature and geometric modules of noncommutative spheres and tori

When considered as submanifolds of Euclidean space, the Riemannian geometry of the round sphere and the Clifford torus may be formulated in terms of Poisson algebraic expressions involving the embedding coordinates, and a central object is the projection operator, projecting tangent vectors in the ambient space onto the tangent space of the submanifold. In this note, we point out that there exist noncommutative analogues of these projection operators, which implies a very natural definition of noncommutative tangent spaces as particular projective modules. These modules carry an induced connection from Euclidean space, and we compute its scalar curvature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Unification of finite symmetries in the simulation of many-body systems on quantum computers

Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems can result in significant overhead due to the exponentially growing size of some symmetry groups as the number of particles increases. Quantum computers hold the promise of achieving exponential speedup in simulating quantum many-body systems; however, a general method for utilizing symmetries in quantum simulations has not yet been established. In this work, we present a unified framework for incorporating symmetry group transforms on quantum computers to simulate many-body systems. The core of our approach lies in the development of efficient quantum circuits for symmetry-adapted projection onto irreducible representations of a group or pairs of commuting groups. We provide resource estimations for common groups, including the cyclic and permutation groups. Our algorithms demonstrate the capability to prepare coherent superpositions of symmetry-adapted states and to perform quantum evolution across a wide range of models in condensed-matter physics and ab initio electronic structure in quantum chemistry. Specifically, we execute a symmetry-adapted quantum subroutine for small molecules in first-quantization on noisy hardware and demonstrate the emulation of symmetry-adapted quantum phase estimation for preparing coherent superpositions of quantum states in various irreducible representations of a symmetry group. In addition, we present a discussion of open problems regarding treating symmetries in digital quantum simulations of many-body systems, paving the way for future systematic investigations into leveraging symmetries quantumly for practical quantum advantage. The broad applicability and rigorous resource estimation for symmetry transformations make our framework appealing for achieving provable quantum advantage on fault-tolerant quantum computers, especially for symmetry-related properties.

quantum algorithms↗

Integrated Motor and Drive (IMD) for Traction Applications Project (Final Technical Report)

This paper proposes the concept of the topological equivalence between the commutation cells of a voltage source inverter (VSI) and a current source inverter (CSI) using duality and equivalent circuit transformation techniques. A switching resonance of CSI is analyzed and an effective three-phase RC damper is derived from the dc-link RC damper of VSIs based on the topological equivalence of the VSI and CSI commutation cells. Furthermore, a new three-phase RC damper design framework utilizing the topological equivalence is proposed. Experimental results verify that the proposed three-phase RC damper design for CSI significantly reduces the switching resonance and improves the CSI’s output waveform total harmonics distortions (THDs).

42 ENGINEERING↗

Fatigue Crack Growth Database for Damage Tolerance Analysis

The objective of this project was to begin the process of developing a fatigue crack growth database (FCGD) of metallic materials for use in damage tolerance analysis of aircraft structure. For this initial effort, crack growth rate data in the NASGRO (Registered trademark) database, the United States Air Force Damage Tolerant Design Handbook, and other publicly available sources were examined and used to develop a database that characterizes crack growth behavior for specific applications (materials). The focus of this effort was on materials for general commercial aircraft applications, including large transport airplanes, small transport commuter airplanes, general aviation airplanes, and rotorcraft. The end products of this project are the FCGD software and this report. The specific goal of this effort was to present fatigue crack growth data in three usable formats: (1) NASGRO equation parameters, (2) Walker equation parameters, and (3) tabular data points. The development of this FCGD will begin the process of developing a consistent set of standard fatigue crack growth material properties. It is envisioned that the end product of the process will be a general repository for credible and well-documented fracture properties that may be used as a default standard in damage tolerance analyses.

Metallic materials↗