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Results for “Consistent Quantum Theory”

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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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Interacting boson model from energy density functionals: {gamma}-softness and the related topics

A comprehensive way of deriving the Hamiltonian of the interacting boson model (IBM) is described. Based on the fact that the multi-nucleon induced surface deformation in finite nucleus is simulated by effective boson degrees of freedom, the potential energy surface calculated with self-consistent mean-field method employing a given energy density functional (EDF) is mapped onto the IBM analog, and thereby the excitation spectra and transition rates with good symmetry quantum numbers are calculated. Recent applications of the proposed approach are reported: (i) an alternative robust interpretation of the {gamma}-soft nuclei and (ii) shape coexistence in lead isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Multiphase equation of state for Ta 2 O 5

A new equation of state for Ta 2 O 5 is presented. The EOS is constructed using the OpenSesame software and is referred to as SESAME 3530. The EOS uses a combination of density functional theory (DFT) calculations and experimental data. DFT calculations include cold curves and phonons of the solid phases, as well as DFT-based molecular dynamics simulations of the liquid phase. Experimental data includes isobaric, diamond anvil cell, and porous shock Hugoniot data. To fit the data, we create a multiphase EOS consisting of two solid phases and the liquid. Overall agreement with experimental data is shown, and we provide some suggestions for future experiments that could improve our knowledge of the phase diagram.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Microscopic Theory of Pinning of Multiquantum Vortex in Cylindrical Cavity

We have proposed and developed a microscopic model of depinning (escape) of a multiquantum vortex in a superconductor with a cylindrical nonconducting cavity with the transverse size smaller than or on the order of the superconducting coherence length ξ{sub 0} at zero temperature. The spectrum of subgap quasiparticle excitations in two- and three-quantum vortices trapped by a cylindrical cavity has been calculated in the quasiclassical approximation. It is shown that the transformation of the spectrum is accompanied by break of anomalous spectral branches due to normal reflection of quasiparticles from the surface of a defect. A microscopic (spectral) criterion for multiquantum vortex pinning has been proposed; according to this criterion, the multiquantum vortex can be trapped in the cavity during the formation of a minigap in the elementary excitation spectrum near the Fermi level. Self-consistent calculations of density of states N(r, ε) for two- and three-quantum vortices trapped by a cylindrical cavity of radius on the order of ξ{sub 0} have been performed using quasiclassical Eilenberger equations. In the pure limit and for low temperatures T ≪ T{sub c}, peculiarities observed in the N(r, ε) distribution reflect the presence of M anomalous spectral branches in the M-quantum vortex and confirm the correctness of the spectral criterion of pinning (depinning) of a multiquantum vortex.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Atomic inner-shell transitions

Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.

Crasemann, B.↗
DOE OSTI2024

Strangeness-correlations on the pseudocritical line in ( 2 + 1 )-flavor QCD

We present some lattice QCD results on first ( χ 1 i ) and second ( χ 2 i ) cumulants of and correlations ( χ 11 i j ) among net baryon-number ( B ), strangeness ( S ) and electric charge ( Q ) along the pseudocritical line [ T p c ( μ B ) ] in the temperature ( T )–baryon chemical potential ( μ B ) phase diagram of ( 2 + 1 )-flavor QCD. We point out that violations of sum rules among second order cumulants, which hold in the isospin symmetric limit of vanishing electric charge chemical potential, are small along the T p c ( μ B ) for the entire range of μ B covered in the RHIC beam energy scan. For the strangeness neutral matter produced in heavy-ion collisions this leads to a close relation between χ 11 B S and χ 11 Q S . We compare lattice QCD results for χ 11 B S / χ 2 S along the T p c ( μ B ) line with preliminary experimental measurements of χ 11 B S / χ 2 S for collision energies 7.7 GeV ≤ s N N ≤ 62.4 GeV . While we find good agreements for s N N ≥ 39 GeV , differences are sizeable at smaller values of s N N . Moreover, we compare lattice QCD results for the ratio of the strangeness ( μ S ) to baryon ( μ B ) chemical potentials, which define a strangeness neutral system with fixed electric charge to baryon number density, with experimental results obtained by the STAR collaboration for μ S / μ B using strange baryon yields on the freeze-out line. Finally, we determine the baryon chemical potential at the freeze-out ( μ B f ) by comparing χ 1 B / χ 2 B along the T p c ( μ B ) with the experimentally measured net-proton cumulants χ 1 p / χ 2 p . We find that { μ B f , T p c ( μ B f ) } are consistent with the freeze-out parameters of the statistical-model fits to experimentally measured hadron yields for s N N ≥ 11.5 GeV . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Polymorphism influences singlet fission rates in tetracene thin films

Here, we report the effect of crystal structure and crystallite grain size on singlet fission (SF) in polycrystalline tetracene, one of the most widely studied SF and organic semiconductor materials. SF has been comprehensively studied in one polymoprh (Tc I), but not in the other, less stable polymorph (Tc II). Using carefully controlled thermal evaporation deposition conditions and high sensitivity ultrafast transient absorption spectroscopy, we found that for large crystallite size samples, SF in nearly pure Tc II films is significantly faster than SF in Tc I films. We also discovered that crystallite size has a minimal impact on the SF rate in Tc II films, but a significant influence in Tc I films. Large crystallites exhibit SF times of 125 ps and 22 ps in Tc I and Tc II, respectively, whereas small crystallites have SF times of 31 ps and 33 ps. Our results demonstrate first, that attention must be paid to polymorphism in obtaining a self-consistent rate picture for SF in tetracene and second, that control of polymorphism can play a significant role towards achieving a mechanistic understanding of SF in polycrystalline systems. In this latter context we show that conventional theory based on non-covalent tetracene couplings is insufficient, thus highlighting the need for models that capture the delocalized and highly mobile nature of excited states in elucidating the full photophysical picture.

14 SOLAR ENERGY↗
DOE OSTI2014

Omnidirectional refractive devices for flexural waves based on graded phononic crystals

Different omnidirectional refractive devices for flexural waves in thin plates are proposed and numerically analyzed. Their realization is explained by means phononic crystal plates, where a previously developed homogenization theory is employed for the design of graded index refractive devices. These devices consist of a circular cluster of inclusions with a properly designed gradient in their radius. With this approach, the Luneburg and Maxwell lenses and a family of beam splitters for flexural waves are proposed and analyzed. Results show that these devices work properly in a broadband frequency region, being therefore an efficient approach for the design of refractive devices specially interesting for nano-scale applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Determination of characteristics of a magneto-optical trap by the spectral width of coherent two-photon resonance

A technique is proposed for studying the thermal motion of {sup 7}Li atoms in a magneto-optical trap (MOT), based on a comparative analysis of coherent two-photon resonances at the 2S – 2P – nS (n = 38 – 120) transition using counter- and co-propagating laser beams with wavelengths of 671 and 350 nm (differential two-photon spectroscopy). A self-consistent theoretical model is constructed. The dependences of the broadening of two-photon resonance on the frequency detuning of cooling optical beams in the MOT are presented. A good agreement of theory with experimental results is obtained. The developed technique is nondestructive and can be used to determine the parameters of cold atoms in various traps, including the parameters of hydrogen and antihydrogen atoms in magnetic traps. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The S matrix of 6D super Yang-Mills and maximal supergravity from rational maps

We present new formulas for n-particle tree-level scattering amplitudes of six-dimensional N = (1,1) super Yang-Mills (SYM) and N = (2,2) supergravity (SUGRA). They are written as integrals over the moduli space of certain rational maps localized on the (n – 3)! solutions of the scattering equations. Due to the properties of spinor-helicity variables in six dimensions, the even- n and odd- n formulas are quite different and have to be treated separately. We first propose a manifestly supersymmetric expression for the even- n amplitudes of N = (1,1) SYM theory and perform various consistency checks. By considering soft-gluon limits of the even- n amplitudes, we deduce the form of the rational maps and the integrand for n odd. The odd- n formulas obtained in this way have a new redundancy that is intertwined with the usual SL(2, C) invariance on the Riemann sphere. We also propose an alternative form of the formulas, analogous to the Witten-RSV formulation, and explore its relationship with the symplectic (or Lagrangian) Grassmannian. Since the amplitudes are formulated in a way that manifests double-copy properties, formulas for the six-dimensional N = (2,2) SUGRA amplitudes follow. Furthermore, these six-dimensional results allow us to deduce new formulas for five-dimensional SYM and SUGRA amplitudes, as well as massive amplitudes of four-dimensional N = 4 SYM on the Coulomb branch.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Creation of quantum entanglement with two separate diamond nitrogen vacancy centers coupled to a photonic molecule

We explore the entanglement generation and the corresponding dynamics between two separate nitrogen-vacancy (NV) centers in diamond nanocrystal coupled to a photonic molecule consisting of a pair of coupled photonic crystal (PC) cavities. By calculating the entanglement concurrence with readily available experimental parameters, it is found that the entanglement degree strongly depends on the cavity-cavity hopping strength and the NV-center-cavity detuning. High concurrence peak and long-lived entanglement plateau can be achieved by properly adjusting practical system parameters. Meanwhile, we also discuss the influence of the coupling strength between the NV centers and the cavity modes on the behavior of the concurrence. Such a PC-NV system can be employed for quantum entanglement generation and represents a building block for an integrated nanophotonic network in a solid-state cavity quantum electrodynamics platform. In addition, the present theory can also be applied to other similar systems, such as two single quantum emitters positioned close to a microtoroidal resonator with the whispering-gallery-mode fields propagating inside the resonator.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory

Extended symmetry-adapted perturbation theory (XSAPT) uses a self-consistent charge embedding to capture many-body polarization, in conjunction with a pairwise-additive SAPT calculation of intermolecular interaction energies. The original implementation of XSAPT is based on charges that are fit to reproduce molecular electrostatic potentials, but this becomes a computational bottleneck in large systems. Charge embedding based on modified Hirshfeld atomic charges is reported here, which dramatically reduces the computational cost without compromising accuracy. Exemplary calculations are presented for supramolecular complexes such as C 60 @C 60 H 28 , a DNA intercalation complex, and a 323-atom model of a drug molecule bound to an enzyme active site. The proposed charge embedding should be useful in other fragment-based quantum chemistry methods as well.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

The classical double copy in three spacetime dimensions

The double copy relates scattering amplitudes in gauge and gravity theories, and has also been extended to classical solutions. In this paper, we study solutions in three spacetime dimensions, where the double copy may be expected to be problematic due to the absence of propagating degrees of freedom for the graviton, and the lack of a Newtonian limit. In particular, we examine the double copy of a gauge theory point charge. This is a vacuum solution in gauge theory, but leads to a non-vacuum solution in gravity, which we show is consistent with previously derived constraints. Furthermore, we successfully interpret the non-trivial stress-energy tensor on the gravity side as arising from a dilaton profile, and the Newtonian description of a point charge emerges as expected in the appropriate limit. Thus, our results provide a non-trivial cross-check of the classical Kerr-Schild double copy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Probing atomic physics at ultrahigh pressure using laser-driven implosions

Abstract Spectroscopic measurements of dense plasmas at billions of atmospheres provide tests to our fundamental understanding of how matter behaves at extreme conditions. Developing reliable atomic physics models at these conditions, benchmarked by experimental data, is crucial to an improved understanding of radiation transport in both stars and inertial fusion targets. However, detailed spectroscopic measurements at these conditions are rare, and traditional collisional-radiative equilibrium models, based on isolated-atom calculations and ad hoc continuum lowering models, have proved questionable at and beyond solid density. Here we report time-integrated and time-resolved x-ray spectroscopy measurements at several billion atmospheres using laser-driven implosions of Cu-doped targets. We use the imploding shell and its hot core at stagnation to probe the spectral changes of Cu-doped witness layer. These measurements indicate the necessity and viability of modeling dense plasmas with self-consistent methods like density-functional theory, which impact the accuracy of radiation transport simulations used to describe stellar evolution and the design of inertial fusion targets.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Observation of the effect of gravity on the motion of antimatter

Einstein’s general theory of relativity from 1915 remains the most successful description of gravitation. From the 1919 solar eclipse to the observation of gravitational waves, the theory has passed many crucial experimental tests. However, the evolving concepts of dark matter and dark energy illustrate that there is much to be learned about the gravitating content of the universe. Singularities in the general theory of relativity and the lack of a quantum theory of gravity suggest that our picture is incomplete. It is thus prudent to explore gravity in exotic physical systems. Antimatter was unknown to Einstein in 1915. Dirac’s theory appeared in 1928; the positron was observed in 1932. There has since been much speculation about gravity and antimatter. The theoretical consensus is that any laboratory mass must be attracted by the Earth, although some authors have considered the cosmological consequences if antimatter should be repelled by matter. In the general theory of relativity, the weak equivalence principle (WEP) requires that all masses react identically to gravity, independent of their internal structure. Here we show that antihydrogen atoms, released from magnetic confinement in the ALPHA-g apparatus, behave in a way consistent with gravitational attraction to the Earth. Repulsive ‘antigravity’ is ruled out in this case. This experiment paves the way for precision studies of the magnitude of the gravitational acceleration between anti-atoms and the Earth to test the WEP.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Wave operators, similarity and dynamics for a class of Schrödinger operators with generic non-mixed interface conditions in 1D

We consider a simple modification of the 1D-Laplacian where non-mixed interface conditions occur at the boundaries of a finite interval. It has recently been shown that Schrödinger operators having this form allow a new approach to the transverse quantum transport through resonant heterostructures. In this perspective, it is important to control the deformations effects introduced on the spectrum and on the time propagator by this class of non-selfadjoint perturbations. In order to obtain uniform-in-time estimates of the perturbed semigroup, our strategy consists in constructing stationary wave operators allowing to intertwine the modified non-selfadjoint Schrödinger operator with a “physical” Hamiltonian. For small values of a deformation parameter “θ,” this yields a dynamical comparison between the two models showing that the distance between the corresponding semigroups is dominated by ‖θ‖ uniformly in time in the L{sup 2}-operator norm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Short-time dynamics of 2-thiouracil in the light absorbing S{sub 2}(ππ{sup ∗}) state

Ultrahigh quantum yields of intersystem crossing to the lowest triplet state T{sub 1} are observed for 2-thiouracils (2TU), which is in contrast to the natural uracils that predominantly exhibit ultrafast internal conversion to the ground state upon excitation to the singlet excited state. The intersystem crossing mechanism of 2TU has recently been investigated using second-order perturbation methods with a high-level complete-active space self-consistent field. Three competitive nonadiabatic pathways to the lowest triplet state T{sub 1} from the initially populated singlet excited state S{sub 2} were proposed. We investigate the initial decay dynamics of 2TU from the light absorbing excited states using resonance Raman spectroscopy, time-dependent wave-packet theory in the simple model, and complete-active space self-consistent field (CASSCF) and time dependent-Becke’s three-parameter exchange and correlation functional with the Lee-Yang-Parr correlation functional (TD-B3LYP) calculations. The obtained short-time structural dynamics in easy-to-visualize internal coordinates were compared with the CASSCF(16,11) predicted key nonadiabatic decay routes. Our results indicate that the predominant decay pathway initiated at the Franck-Condon region is toward the S{sub 2}/S{sub 1} conical intersection point and S{sub 2}T{sub 3} intersystem crossing point, but not toward the S{sub 2}T{sub 2} intersystem crossing point.

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

A new mathematical model for the equation of state of an asymmetric infinite nuclear matter

In this paper, the average energy variation with respect to the density of a system of nucleons is studied. A new formula is presented for the nuclear equation of state. This formula is related to an infinite system of protons and neutrons with relatively small thermal excitations. It is shown that the proposed formulation for the nuclear equation of state reproduces the results obtained in the Skyrme-Hartree-Fock (SHF) and Relativistic Mean-Field (RMF) models of nuclear matter. It should be realized that the consistency of the obtained results for nuclear matter with the predictions of well-known SHF and RMF models for symmetric and asymmetric system of nucleons indicates the reliability of this formulation for different types of nuclear matter in large scales such as neutron stars.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Decoupled spin dynamics in the rare-earth orthoferrite YbFeO 3 : Evolution of magnetic excitations through the spin-reorientation transition

In this study, we present a comprehensive study of magnetic dynamics in the rare-earth orthoferrite YbFeO 3 at temperatures below and above the spin-reorientation (SR) transition T SR =7.6K, in magnetic fields applied along the a,b, and c axes. Using single-crystal inelastic neutron scattering, we observed that the spectrum of magnetic excitations consists of two collective modes well separated in energy: 3D gapped magnons with a bandwidth of ~60meV, associated with the antiferromagnetically (AFM) ordered Fe subsystem, and quasi-1D AFM fluctuations of ~1meV within the Yb subsystem, with no hybridization of those modes. The spin dynamics of the Fe subsystem changes very little through the SR transition and could be well described in the frame of semiclassical linear spin-wave theory. On the other hand, the rotation of the net moment of the Fe subsystem at T SR drastically changes the excitation spectrum of the Yb subsystem, inducing the transition between two regimes with magnon and spinonlike fluctuations. At T < T SR , the Yb spin chains have a well defined field-induced ferromagnetic (FM) ground state, and the spectrum consists of a sharp single-magnon mode, a two-magnon bound state, and a two-magnon continuum, whereas at T > T SR only a gapped broad spinonlike continuum dominates the spectrum. In this work we show that a weak quasi-1D coupling within the Yb subsystem J Yb-Yb , mainly neglected in previous studies, creates unusual quantum spin dynamics on the low-energy scales. The results of our work may stimulate further experimental search for similar compounds with several magnetic subsystems and energy scales, where low-energy fluctuations and underlying physics could be “hidden” by a dominating interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗