Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CONTRACTION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12

Positive contraction mappings for classical and quantum Schrödinger systems

The classical Schrödinger bridge seeks the most likely probability law for a diffusion process, in path space, that matches marginals at two end points in time; the likelihood is quantified by the relative entropy between the sought law and a prior. Jamison proved that the new law is obtained through a multiplicative functional transformation of the prior. This transformation is characterised by an automorphism on the space of endpoints probability measures, which has been studied by Fortet, Beurling, and others. A similar question can be raised for processes evolving in a discrete time and space as well as for processes defined over non-commutative probability spaces. The present paper builds on earlier work by Pavon and Ticozzi and begins by establishing solutions to Schrödinger systems for Markov chains. Our approach is based on the Hilbert metric and shows that the solution to the Schrödinger bridge is provided by the fixed point of a contractive map. We approach, in a similar manner, the steering of a quantum system across a quantum channel. We are able to establish existence of quantum transitions that are multiplicative functional transformations of a given Kraus map for the cases where the marginals are either uniform or pure states. As in the Markov chain case, and for uniform density matrices, the solution of the quantum bridge can be constructed from the fixed point of a certain contractive map. For arbitrary marginal densities, extensive numerical simulations indicate that iteration of a similar map leads to fixed points from which we can construct a quantum bridge. For this general case, however, a proof of convergence remains elusive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of a contracted glow in low-frequency plasma-jet discharges operating with argon

In this work, we present an experimental and theoretical study of a low frequency, atmospheric plasma-jet discharge in argon. The discharge has the characteristics of a contracted glow with a current channel of submillimeter diameter and a relatively high voltage cathode layer. In order to interpret the measurements, we consider the separate modeling of each region of the discharge: main channel and cathode layer, which must then be properly matched together. The main current channel was modeled, extending a previous work, as similar to an arc in which joule heating is balanced by lateral heat conduction, without thermal equilibrium between electrons and heavy species. The cathode layer model, on the other hand, includes the emission of secondary electrons by ion impact and by additional mechanisms, of which we considered emission due to collision of atoms excited at metastable levels, and field-enhanced thermionic emission (Schottky effect). The comparison of model and experiment indicates that the discharge can be effectively sustained in its contracted form by the secondary electrons emitted by collision of excited argon atoms, whereas thermionic emission is by far insufficient to provide the necessary electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions

A novel approach to strongly contracted N-electron valence perturbation theory (SC-NEVPT2) as a means of describing dynamic electron correlation for quantum chemical density matrix renormalization group (DMRG) calculations is presented. In this approach the strongly contracted perturber functions are projected onto a renormalized Hilbert space. Compared to a straightforward implementation of SC-NEVPT2 with DMRG wavefunctions, the computational scaling and storage requirements are reduced. This favorable scaling opens up the possibility of calculations with larger active spaces. A specially designed renormalization scheme ensures that both the electronic ground state and the perturber functions are well represented in the renormalized Hilbert space. Test calculations on the N{sub 2} and [Cu{sub 2}O{sub 2}(en){sub 2}]{sup 2+} demonstrate some key properties of the method and indicate its capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI

The association/dissociation reaction path for ozone (O 2 + O ↔ O 3 ) is notoriously difficult to describe accurately using ab initio electronic structure theory, due to the importance of both strong and dynamic electron correlations. Experimentally, spectroscopic studies of the highest lying recorded vibrational states combined with the observed negative temperature dependence of the kinetics of oxygen isotope exchange reactions confirm that the reaction is barrierless, consistent with the latest potential energy surfaces. Previously reported potentials based on Davidson-corrected internally contracted multireference configuration interaction (MRCI) suffer from a spurious reef feature in the entrance channel even when extrapolated towards the complete basis set limit. In this work, we report an analysis of comparisons between a variety of electronic structure methods including internally contracted and uncontracted MRCI (with and without Davidson corrections), as well as full configuration interaction quantum Monte Carlo, fixed-node diffusion Monte Carlo, and density matrix renormalization group.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods

In this work, we introduce a diagrammatic approach to facilitate the automatic derivation of analytical nuclear gradients for tensor hyper-contraction (THC) based electronic structure methods. The automatically derived gradients are guaranteed to have the same scaling in terms of both operation count and memory footprint as the underlying energy calculations, and the computation of a gradient is roughly three times as costly as the underlying energy. The new diagrammatic approach enables the first cubic scaling implementation of nuclear derivatives for THC tensors fitted in molecular orbital basis (MO-THC). Furthermore, application of this new approach to THC-MP2 analytical gradients leads to an implementation, which is at least four times faster than the previously reported, manually derived implementation. Finally, we apply the new approach to the 14 tensor contraction patterns appearing in the supporting subspace formulation of multireference perturbation theory, laying the foundation for developments of analytical nuclear gradients and nonadiabatic coupling vectors for multi-state CASPT2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LARGE-SCALE CONTRACTION AND SUBSEQUENT DISRUPTION OF CORONAL LOOPS DURING VARIOUS PHASES OF THE M6.2 FLARE ASSOCIATED WITH THE CONFINED FLUX ROPE ERUPTION

We investigate evolutionary phases of an M6.2 flare and the associated confined eruption of a prominence. The pre-flare phase exhibits spectacular large-scale contraction of overlying extreme ultraviolet (EUV) coronal loops during which the loop system was subjected to an altitude decrease of ∼20 Mm (40% of the initial height) for an extended span of ∼30 minutes. This contraction phase is accompanied by sequential EUV brightenings associated with hard X-ray (HXR; up to 25 keV) and microwave (MW) sources from low-lying loops in the core region which together with X-ray spectra indicate strong localized heating in the source region before the filament activation. With the onset of the flare’s impulsive phase, we detect HXR and MW sources that exhibit intricate temporal and spatial evolution in relation to the fast rise of the prominence. Following the flare maximum, the filament eruption slowed down and subsequently became confined within the large overlying active region loops. During the confinement process of the erupting prominence, we detect MW emission from the extended coronal region with multiple emission centroids, which likely represent emission from hot blobs of plasma formed after the collapse of the expanding flux rope and entailing prominence material. RHESSI spectroscopy reveals high plasma temperature (∼30 MK) and substantial non-thermal characteristics (δ ∼ 5) during the impulsive phase of the flare. The time evolution of thermal energy exhibits a good correspondence with the variations in cumulative non-thermal energy, which suggests that the energy of accelerated particles is efficiently converted to hot flare plasma, implying an effective validation of the Neupert effect.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum simulation of bosons with the contracted quantum eigensolver

Abstract Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model entangled many-boson system with the contracted quantum eigensolver (CQE). We generalize the CQE to many-boson systems by encoding the bosonic wavefunction on qubits. The CQE provides a compact ansatz for the bosonic wave function whose gradient is proportional to the residual of a contracted Schrödinger equation. We apply the CQE to a bosonic system, where N quantum harmonic oscillators are coupled through a pairwise quadratic repulsion. The model is relevant to the study of coupled vibrations in molecular systems on quantum devices. Results demonstrate the potential efficiency of the CQE in simulating bosonic processes such as molecular vibrations with good accuracy and convergence even in the presence of noise.

Physics↗

Quantum simulation of excited states from parallel contracted quantum eigensolvers

Abstract Computing excited-state properties of molecules and solids is considered one of the most important near-term applications of quantum computers. While many of the current excited-state quantum algorithms differ in circuit architecture, specific exploitation of quantum advantage, or result quality, one common feature is their rooting in the Schrödinger equation. However, through contracting (or projecting) the eigenvalue equation, more efficient strategies can be designed for near-term quantum devices. Here we demonstrate that when combined with the Rayleigh–Ritz variational principle for mixed quantum states, the ground-state contracted quantum eigensolver (CQE) can be generalized to compute any number of quantum eigenstates simultaneously. We introduce two excited-state (anti-Hermitian) CQEs that perform the excited-state calculation while inheriting many of the remarkable features of the original ground-state version of the algorithm, such as its scalability. To showcase our approach, we study several model and chemical Hamiltonians and investigate the performance of different implementations.

Physics↗

Black hole formation in a contracting universe

We study the evolution of cosmological perturbations in a contracting universe. We aim to determine under which conditions density perturbations grow to form large inhomogeneities and collapse into black holes. Our method consists in solving the cosmological perturbation equations in complete generality for a hydrodynamical fluid. We then describe the evolution of the fluctuations over the different length scales of interest and as a function of the equation of state for the fluid, and we explore two different types of initial conditions: quantum vacuum and thermal fluctuations. We also derive a general requirement for black hole collapse on sub-Hubble scales, and we use the Press-Schechter formalism to describe the black hole formation probability. For a fluid with a small sound speed (e.g., dust), we find that both quantum and thermal initial fluctuations grow in a contracting universe, and the largest inhomogeneities that first collapse into black holes are of Hubble size and the collapse occurs well before reaching the Planck scale. For a radiation-dominated fluid, we find that no black hole can form before reaching the Planck scale. In the context of matter bounce cosmology, it thus appears that only models in which a radiation-dominated era begins early in the cosmological evolution are robust against the formation of black holes. Yet, the formation of black holes might be an interesting feature for other models. We comment on a number of possible alternative early universe scenarios that could take advantage of this feature.

79 ASTRONOMY AND ASTROPHYSICS↗

Ultralocality and slow contraction

Abstract We study the detailed process by which slow contraction smooths and flattens the universe using an improved numerical relativity code that accepts initial conditions with non-perturbativedeviations from homogeneity and isotropy along two independent spatial directions.Contrary to common descriptions of the early universe,we find that the geometry first rapidly converges to an inhomogeneous, spatially-curved and anisotropic ultralocal state in which all spatialgradient contributions to the equations of motion decrease as an exponential in time to negligible values. This is followed by a second stage in which the geometry converges to a homogeneous, spatially flat and isotropic spacetime. In particular, the decay appears to follow the same history whether the entire spacetime or only parts of it are smoothed by the end of slow contraction.

Astronomy & Astrophysics↗

Dynamical attractors in contracting spacetimes dominated by kinetically coupled scalar fields

We present non-perturbative numerical relativity simulations of slowly contracting spacetimes in which the scalar field driving slow contraction is coupled to a second scalar field through an exponential non-linear σ model-type kinetic interaction. These models are important because they can generate a nearly scale-invariant spectrum of super-Hubble density fluctuations fully consistent with cosmic microwave background observations. We show that the non-linear evolution rapidly approaches a homogeneous, isotropic and flat Friedmann-Robertson-Walker (FRW) geometry for a wide range of inhomogeneous and anisotropic initial conditions. Ultimately, we find, the kinetic coupling causes the evolution to deflect away from flat FRW and towards a novel Kasner-like stationary point, but in general this occurs on time scales that are too long to be observationally relevant.

79 ASTRONOMY AND ASTROPHYSICS↗

Smoothing and flattening the universe through slow contraction versus inflation

In a systematic study, we use an equivalent pair of improved numerical relativity codes based on a tetrad-formulation of the classical Einstein-scalar field equations to examine whether slow contraction or inflation (or both) can resolve the homogeneity, isotropy and flatness problems. Our finding, based on a set of gauge/frame invariant diagnostics and the models considered, is that slow contraction robustly and rapidly smooths and flattens spacetime beginning from initial conditions that are outside the perturbative regime of the flat Friedmann-Robertson-Walker metric, whereas inflation fails these tests. We present new numerical evidence supporting the conjecture that the combination of ultralocal evolution and an effective equation-of-state with pressure much greater than energy density is the key to having robust and rapid smoothing. The opposite of ultralocality occurs in expanding spacetimes, which is the leading obstruction to smoothing following a big bang.

79 ASTRONOMY AND ASTROPHYSICS↗

Transient lattice contraction in the solid-to-plasma transition

In condensed matter systems, strong optical excitations can induce phonon-driven processes that alter their mechanical properties. We report on a new phenomenon where a massive electronic excitation induces a collective change in the bond character that leads to transient lattice contraction. Single large van der Waals clusters were isochorically heated to a nanoplasma state with an intense 10-fs x-ray (pump) pulse. The structural evolution of the nanoplasma was probed with a second intense x-ray (probe) pulse, showing systematic contraction stemming from electron delocalization during the solid-to-plasma transition. These findings are relevant for any material in extreme conditions ranging from the time evolution of warm or hot dense matter to ultrafast imaging with intense x-ray pulses or, more generally, any situation that involves a condensed matter-to-plasma transition.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Scalaron production in contracting astrophysical objects

We study the creation of high-energy SM particles in the Starobinsky model of dark energy (a variant of F(R)-gravity) inside the regions contracting due to the Jeans instability. In this modification of gravity, the additional degree of freedom—a scalaron—behaves as a particle with the mass depending on matter density. Therefore, when the mass changes, light scalarons could be created at a nonadiabatic stage. Later, the scalaron mass grows and can reach large values, even the value 10{sup 13} GeV, favored by early time inflation. Heavy scalarons decay contributing to the cosmic ray flux. We analytically calculate the number density of created particles for the exponential (Jeans) contraction and find it negligibly small for the phenomenologically viable and cosmologically interesting range of model parameters. We expect similar results for a generic model of F(R)-gravity mimicking the cosmological constant.

79 ASTRONOMY AND ASTROPHYSICS↗

Limiting case of modified electroweak model for contracted gauge group

The modification of the Electroweak Model with 3-dimensional spherical geometry in the matter fields space is suggested. The Lagrangian of this model is given by the sum of the free (without any potential term) matter fields Lagrangian and the standard gauge fields Lagrangian. The vector boson masses are generated by transformation of this Lagrangian from Cartesian coordinates to coordinates on the sphere S{sup 3}. The limiting case of the bosonic part of the modified model, which corresponds to the contracted gauge group SU(2; j) x U(1) is discussed. Within framework of the limit model Z boson and electromagnetic fields can be regarded as external ones with respect to W-boson fields in the sence that W-boson fields do not effect on these external fields. The masses of all particles of the Electroweak Model remain the same, but field interactions in contracted model are more simple as compared with the standard Electroweak Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Two-dimensional imaginary lobachevsky space. Separation of variables and contractions

The Inoenue-Wigner contraction from the SO(2, 1) group to the E(1, 1) group is used to relate the separation of variables in Laplace-Beltrami (Helmholtz) equations for the corresponding two-dimensional homogeneous spaces: two-dimensional one sheeted hyperboloid and two-dimensional pseudo-Euclidean space. Here we consider the contraction limits of some basis functions for the subgroup coordinates only.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Contraction of electroweak model can explain the interactions neutrinos with matter

The very rare interactions neutrinos with matter and the dependence of the corresponding cross-section on neutrinos energy are explained as contraction of the gauge group of the Electroweak Model already at the level of classical gauge fields. Small contraction parameter is connected with the universal Fermi constant of weak interactions and neutrino energy as {sup 2}(s)=√(G{sub F{sup S}}).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Separations of Variables and Analytic Contractions on Two-Dimensional Hyperboloids

In this review we present recent results in the field of analytical contraction of Lie algebra in two-dimensional hyperbolic space. A complete geometric description for all possible orthogonal and nonorthogonal (related to the first order symmetries) systems of coordinates, which allow separation of variables of two-dimensional Laplace–Beltrami or Helmholtz equation on the two-sheeted (upper sheet) H{sub 2} and the one-sheeted H-tilde {sub 2} hyperboloids is given. The limiting transition between non subgroup (mostly parametric) and subgroup systems is conducted. The analytic contractions between various systems of coordinates in two hyperbolic spaces and Euclidean E{sub 2} and Minkowski E{sub 1,1} spaces are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗