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At least 415 records · Page 23

Synthesis of motif and symmetry for accelerated learning, discovery, and design of electronic structures for energy conversion applications (Final Technical Report)

The overall goal of the projects is to develop a framework to incorporate structure motifs and crystal/orbital symmetries into the data-driven materials discovery infrastructure. The PI proposed to develop structure-motif- and symmetry-based graph convolutional networks for effective learning and efficient predictions of electronic structures and related properties. Fundamental understanding of the roles of structure motif and symmetry will establish new hypothesis and design rules, which will be combined with high-throughput computations based on density functional theory to discover novel light absorbers, transparent conductors, as well as 2D light emitting materials and heterojunctions for optoelectronics.

36 MATERIALS SCIENCE↗

Avoiding symmetry roadblocks and minimizing the measurement overhead of adaptive variational quantum eigensolvers

Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is crucial to achieving this goal. A promising class of algorithms for this purpose consists of variational quantum eigensolvers (VQEs). Among these, problem-tailored versions such as ADAPT-VQE that build variational ansätze step by step from a predefined operator pool perform particularly well in terms of circuit depths and variational parameter counts. However, this improved performance comes at the expense of an additional measurement overhead compared to standard VQEs. Here, we show that this overhead can be reduced to an amount that grows only linearly with the number n of qubits, instead of quartically as in the original ADAPT-VQE. We do this by proving that operator pools of size 2 n − 2 can represent any state in Hilbert space if chosen appropriately. We prove that this is the minimal size of such "complete" pools, discuss their algebraic properties, and present necessary and sufficient conditions for their completeness that allow us to find such pools efficiently. We further show that, if the simulated problem possesses symmetries, then complete pools can fail to yield convergent results, unless the pool is chosen to obey certain symmetry rules. We demonstrate the performance of such symmetry-adapted complete pools by using them in classical simulations of ADAPT-VQE for several strongly correlated molecules. Our findings are relevant for any VQE that uses an ansatz based on Pauli strings.

Shkolnikov, V. O.↗

Bayesian Inference of the Symmetry Energy of Superdense Neutron-rich Matter from Future Radius Measurements of Massive Neutron Stars

In this work, using as references the posterior probability distribution functions of the equation of state (EOS) parameters inferred from the radii of canonical neutron stars (NSs) reported by the LIGO/VIRGO and NICER Collaborations based on their observations of GW170817 and PSR J0030+0451, we investigate how future radius measurements of more massive NSs will improve our current knowledge about the EOS of superdense neutron-rich nuclear matter, especially its symmetry energy term. Within the Bayesian statistical approach using an explicitly isospin-dependent parametric EOS for the core of NSs, we infer the EOS parameters of superdense neutron-rich nuclear matter from three sets of imagined mass–radius correlation data representing typical predictions by various nuclear many-body theories, that is, the radius stays the same, decreases, or increases with increasing NS mass within ±15% between 1.4 and 2.0 M$_\odot$. The corresponding NS average density increases quickly or slowly or slightly decreases as the NS mass increases from 1.4 to 2.0 M$_\odot$. While the EOSs of symmetric nuclear matter (SNM) inferred from the three data sets are approximately the same, the corresponding symmetry energies above about twice the saturation density of nuclear matter are very different, indicating that the radii of massive NSs carry important information about the high-density behavior of nuclear symmetry energy with little influence from the remaining uncertainties of the SNM EOS at suprasaturation densities.

79 ASTRONOMY AND ASTROPHYSICS↗

Ginsparg-Wilson Hamiltonians with Improved Chiral Symmetry

We construct a family of Ginsparg-Wilson Hamiltonians with improved chiral properties, starting from a construction of Creutz-Horvath-Neuberger that provides a doubler-free Hamiltonian lattice regularization for Dirac fermions in even spacetime dimensions. We use a higher-order generalization of the Ginsparg-Wilson relation due to Fujikawa, which yields an order-$k$ Hamiltonian overlap operator for each integer $k \geq 0$, with an exactly conserved but nonquantized chiral charge that becomes quantized as $k \to \infty$. Our construction provides physical insight into how Fujikawa's higher-order Ginsparg-Wilson relation improves chiral symmetry while reproducing the anomaly, highlighting the trade-offs inherent in any Hamiltonian lattice realization of an anomalous chiral symmetry. This class of Hamiltonian lattice regularizations, with their tunable chiral symmetry properties, offers potential advantages for quantum and tensor-network simulations.

Singh, Hersh [Fermilab]↗

A theoretical and experimental investigation of the hypersonic turbulent boundary layer subject to normal and longitudinal pressure gradients and cross flow along a windward plane of symmetry.

A theoretical and experimental investigation for the hypersonic turbulent boundary layer undergoing both normal and longitudinal pressure gradients and cross flow along the plane of symmetry on the windward side of a body of revolution is presented. The purpose of this investigation is to provide a method for calculating boundary layers that occur on the centerline of symmetry of an inlet. The three-dimensional compressible integral equations are written along the symmetry plane and integrated numerically, and the effect of the cross flow on the behavior of the boundary layer is also studied. The experiments were performed at Mach number 6 and Reynolds number of 44,000,000/ft for the axisymmetric case and for the case with cross flow. The velocity profiles and the boundary layer parameters agree relatively well with theoretical values with and without cross flow effects. The presence of the cross flow alters significantly the value of the profiles. Total temperature-velocity correlations deviate from the linear Crocco distribution. Heat transfer rates agree with theoretical values and values obtained by the flat plate reference enthalpy method. Cross flow influence on the heat transfer rates is of minor relevance.

Zakkay, V.↗

Theorems on symmetries and flux conservation in radiative transfer using the matrix operator theory.

The matrix operator approach to radiative transfer is shown to be a very powerful technique in establishing symmetry relations for multiple scattering in inhomogeneous atmospheres. Symmetries are derived for the reflection and transmission operators using only the symmetry of the phase function. These results will mean large savings in computer time and storage for performing calculations for realistic planetary atmospheres using this method. The results have also been extended to establish a condition on the reflection matrix of a boundary in order to preserve reciprocity. Finally energy conservation is rigorously proven for conservative scattering in inhomogeneous atmospheres.

Kattawar, G. W.↗

The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctions

A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering, without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species

Shavitt, I.↗

Soft CP violation and the global matter-antimatter symmetry of the universe

Scenarios for baryon production are considered within the context of SU(5) and SO(10) grand unified theories where CP violation arises spontaneously. The spontaneous CP symmetry breaking then results in a matter-antimatter domain structure in the universe. Two possible, distinct types of theories of soft CP violation are defined. In the first type the CP nonconservation originates only from the breaking of SU(2) sub L X U(1) symmetry, and in the second type, even at the unification temperature scale, CP violation can emerge as a result of symmetry breaking by the vacuum expectation values of the superheavy Higgs sector scalars.

Senjanovic, G.↗

The plane of symmetry of interplanetary dust in the inner solar system

Observations of the zodiacal light from the space probes Helios 1 and 2 between 1.0 and 0.3 AU show - superimposed on the general radial dependence - a systematic variation of brightness and brightness distribution with position in the orbit which is caused by the inclination of the symmetry plane of interplanetary dust with respect to the ecliptic. By suitable choice of the observing geometry, the inclination and the ascending node of the symmetry plane can be determined directly from the data without recourse to model calculations. The resulting values of i equals 3.0 plus or minus 0.3 deg, Omega equals 87 plus or minus 4 deg are not compatible with a concentration of interplanetary dust to the invariable plane of the solar system. The data support the simple view that the distribution of interplanetary dust in the inner solar system is characterized throughout by one plane of symmetry and suggest that this plane extends to at least 1 AU.

Leinert, C.↗

The symmetry plane of the zodiacal cloud near 1 AU

Analysis of zodiacal light observations from Mt. Haleakala, Hawaii shows that the symmetry plane of the zodiacal cloud near 1 A.U. is close to the invariable plane of the solar system. Since the symmetry plane of the inner zodiacal cloud is close to the orbital plane of Venus (Misconi and Weinberg, 1978; Leinert et al., 1979), it is suggested that the symmetry plane changes inclination with heliocentric distance.

Misconi, N. Y.↗

Questions on universal constants and four-dimensional symmetry from a broad viewpoint. I

It is demonstrated that there is a flexibility in clock synchronizations and that four-dimensional symmetry framework can be viewed broadly. The true universality of basic constants is discussed, considering a class of measurement processes based on the velocity = distance/time interval, which always yields some number when used by an observer. The four-dimensional symmetry framework based on common time for all observers is formulated, and related processes of measuring light speed are discussed. Invariant 'action functions' for physical laws in the new four-dimensional symmetry framework with the common time are established to discuss universal constants. Truly universal constants are demonstrated, and it is shown that physics in this new framework and in special relativity are equivalent as far as one-particle systems and the S-matrix in field theories are concerned.

Hsu, J. P.↗

Bilateral topographic symmetry patterns across Aphrodite Terra, Venus

Topographic profiles have been obtained across Aphrodite Terra to test for bilateral symmetry of the type associated with thermal boundary layer topography at divergent plate boundaries on earth. In addition to a broad bilateral symmetry at a range of angles across Aphrodite Terra, detailed bilateral symmetry is noted within domains between linear discontinuities in directions parallel to the strike of the discontinuities. The results suggest that western Aphrodite Terra is similar to terrestrial oceanic divergent plate boundary environments, and that the cross-strike discontinuities are analogous to oceanic fracture zones rather than strike-slip faults.

Crumpler, L. S.↗

A torus bifurcation theorem with symmetry

Hopf bifurcation in the presence of symmetry, in situations where the normal form equations decouple into phase/amplitude equations is described. A theorem showing that in general such degeneracies are expected to lead to secondary torus bifurcations is proved. By applying this theorem to the case of degenerate Hopf bifurcation with triangular symmetry it is proved that in codimension two there exist regions of parameter space where two branches of asymptotically stable two-tori coexist but where no stable periodic solutions are present. Although a theory was not derived for degenerate Hopf bifurcations in the presence of symmetry, examples are presented that would have to be accounted for by any such general theory.

Vangils, S. A.↗

Influence of the continuous and dispersed phases on the symmetry of a gas turbine air-blast atomizer

Current trends in liquid-fueled practical combustion systems are leaving less tolerance for fuel injection deficiencies such as poor spray field symmetry. The present paper evaluates the symmetry of the flowfield produced by a practical airblast atomizer. Specifically, the influence of both the continuous phase and dispersed phase on the spray field symmetry is assessed. In the present case, asymmetry in volume flux is associated principally with disparities in the injection of the dispersed phase, which is manifested by a maldistribution of larger drops. Asymmetries observed in the continuous phase without the dispersed phase are reduced in magnitude by the presence of the dispersed phase, but still contribute to asymmetry in radial spread of the dispersed phase.

Mcdonell, V. G.↗

Self-collimated electromagnetic jets from magnetized accretion disks - The even-symmetry case

This paper extends the previous treatment (Lovelace et al., 1987) of the origin of self-collimated EM jets to the case of even field symmetry, where the magnetic flux function Psi(r, z) is an even function of z. A viscous resistive accretion disk is assumed to surround a black hole with a force-free plasma outside of the disk. Inside the disk, the induction equation is solved for Psi(r, z) and the toroidal magnetic field. Outside the disk, previous results are used to study the formation of self-collimated EM jets. In contrast with the odd-symmetry case, for even symmetry the toroidal magnetic field acts to vertically compress the disk; a comparatively large toroidal magnetic field can exist inside the disk; and an appreciable fraction (possibly all) of the available accretion power can go into the jets.

Wang, J. C. L.↗

Relation between perception of vertical axis rotation and vestibulo-ocular reflex symmetry

Subjects seated in a vertical axis rotation chair controlled their rotational velocity by adjusting a potentiometer. Their goal was to null out pseudorandom rotational perturbations in order to remain perceptually stationary. Most subjects showed a slow linear drift of velocity (a constant acceleration) to one side when they were deprived of an earth-fixed visual reference. The amplitude and direction of this drift can be considered a measure of a static bias in the subject's perception of rotation. The presence of a perceptual bias is consistent with a small, constant imbalance of vestibular function which could be of either central or peripheral origin. Deviations from perfect vestibulocular reflex (VOR) symmetry are also assumed to be related to imbalances in either peripheral or central vestibular function. Researchers looked for correlations between perceptual bias and various measures of vestibular reflex symmetry that might suggest a common source for both reflective and perceptual imbalances. No correlations were found. Measurement errors could not account for these results since repeated tests on the same subjects of both perceptual bias and VOR symmetry were well correlated.

Peterka, Robert J.↗

Relation between perception of vertical axis rotation and vestibulo-ocular reflex symmetry

Subjects seated in a vertical axis rotation chair controlled their rotational velocity by adjusting a potentiometer. Their goal was to null out pseudorandom rotational perturbations in order to remain perceptually stationary. Most subjects showed a slow linear drift of velocity (a constant acceleration) to one side when they were deprived of an earth-fixed visual reference. The amplitude and direction of this drift can be considered a measure of a static bias in the subject's perception of rotation. The presence of a perceptual bias is consistent with a small, constant imbalance of vestibular function which could be of either central or peripheral origin. Deviations from perfect vestibulo-ocular reflex (VOR) symmetry are also assumed to be related to imbalances in either peripheral or central vestibular function. Researchers looked for correlations between perceptual bias and various measures of vestibular reflex symmetry that might suggest a common source for both reflective and perceptual imbalances. No correlations were found. Measurement errors could not account for these results since repeated tests on the same subjects of both perceptual bias and VOR symmetry were well correlated.

Peterka, Robert J.↗

Preserving Symmetry in Preconditioned Krylov Subspace Methods

We consider the problem of solving a linear system Ax = b when A is nearly symmetric and when the system is preconditioned by a symmetric positive definite matrix M. In the symmetric case, one can recover symmetry by using M-inner products in the conjugate gradient (CG) algorithm. This idea can also be used in the nonsymmetric case, and near symmetry can be preserved similarly. Like CG, the new algorithms are mathematically equivalent to split preconditioning, but do not require M to be factored. Better robustness in a specific sense can also be observed. When combined with truncated versions of iterative methods, tests show that this is more effective than the common practice of forfeiting near-symmetry altogether.

Chan, Tony F.↗