Nonadiabatic Motion Research Articles

Baryogenesis via QCD preheating with nonadiabatic baryon chemical potential

The chiral phase transition in QCD can be supercooled in the thermal history of the universe to be instantaneously out-of equilibrium, if QCD is coupled to a dark QCD sector exhibiting the dark chiral phase transition of the first order. In that case the QCD sigma meson field (as the chiral order parameter, or the light quark condensate) starts to roll in a nonadiabatic way down to the true QCD vacuum. Meanwhile a dynamic baryonic chemical potential can be generated solely within QCD, which is governed by the dynamic motion of the QCD sigma meson field, analogously to the spontaneous baryogenesis or the leptogenesis via the Higgs or axionlike relaxation scenario. When QCD is further allowed to communicate with a dark fermion with mass of order of 1 GeV and the baryon number violating coupling to neutron, the nonadiabatic QCD sigma motion along with the nonadiabatic baryon chemical potential can trigger the preheating and produce the baryon number asymmetry. We discuss this scenario in details to find that the QCD-induced dynamic baryon chemical potential plays a significant role for the QCD preheating and the baryogenesis, which yields the desired amount of the asymmetry today consistently with current astrophysical, cosmological, and terrestrial experimental constraints. Cosmological and phenomenological consequences characteristic to the present scenario are also addressed.

Modeling Field Line Curvature Scattering Loss of 1–10 MeV Protons During Geomagnetic Storms

AbstractThe proton radiation belt contains high fluxes of adiabatically trapped protons varying in energy from ∼one to hundreds of megaelectron volts (MeV). At large radial distances, magnetospheric field lines become stretched on the nightside of Earth and exhibit a small radius of curvature RC near the equator. This leads protons to undergo field line curvature (FLC) scattering, whereby changes to the first adiabatic invariant accumulate as field strength becomes nonuniform across a gyroorbit. The outer boundary of the proton belt at a given energy corresponds to the range of magnetic L shell over which this transition to nonadiabatic motion takes place, and is sensitive to the occurrence of geomagnetic storms. In this work, we first find expressions for nightside equatorial RC and field strength Be as functions of Dst and L* to fit the TS04 field model. We then apply the Tu et al. (2014, https://doi.org/10.1002/2014ja019864) condition for nonadiabatic onset to solve the outer boundary L*, and refine our expression for RC to achieve agreement with Van Allen Probes observations of 1–50 MeV proton flux over the 2014–2018 era. Finally, we implement this nonadiabatic onset condition into the British Antarctic Survey proton belt model (BAS‐PRO) to solve the temporal evolution of proton fluxes at L ≤ 4. Compared with observations, BAS‐PRO reproduces storm losses due to FLC scattering, but there is a discrepancy in mid‐2017 that suggests a ∼5 MeV proton source not accounted for. Our work sheds light on outer zone proton belt variability at 1–10 MeV and demonstrates a useful tool for real‐time forecasting.

Reconnection in a pinch

A recently published analysis of current sheets has updated the classic Harris 1D static solution by considering multiple classes of charged particle trajectories in a generalized and dynamic current sheet. It uses a 1D PIC simulation to describe dynamic pinching and bifurcation of the current sheet. These 1D results strongly suggest that properties of the inflowing plasma, including the plasma beta, have an important effect on the equilibrium thickness of the pinched current sheet. Since 1D studies cannot describe magnetic reconnection, the time appears right to carry such 1D studies over to 2D or 3D simulations to explore current sheet thickness effects on reconnection. The Magnetospheric Multiscale Mission (MMS), with its well-resolved multipoint measurements of collisionless plasma and fields, has found that collisionless reconnection is accompanied by non-adiabatic motions of electrons that only occur in magnetic structures with a narrow scale comparable to electron inertial lengths (de). The recent 1D studies suggest that a plasma pinch to such scales may only occur for inflowing magnetized plasmas with relatively low plasma beta. We conclude that a parametric exploration of simulated and observed reconnection inflow conditions, particularly plasma beta, should shed light on the enablement of reconnection in collisionless plasmas.

Magnetic Structure of CoO

The paper reports evidence that the multi-spin-axis magnetic structure proposed in 1964 by van Laar is realized in antiferromagnetic CoO. This tetragonal spin arrangement produces both the strong tetragonal and the weaker monoclinic distortion experimentally observed in this material. The monoclinic distortion is proposed to be a “monoclinic-like” distortion of the array of the oxygen atoms, comparable with the rhombohedral-like distortion of the oxygen atoms recently proposed to be present in NiO and MnO. The monoclinic-like distortion has no influence on the tetragonal magnetic structure, which is generated by a special nonadiabatic atomic-like motion of the electrons near the Fermi level. It is argued that it is this atomic-like motion that qualifies CoO to be a Mott insulator.

Acceleration of Oxygen Ions In Dipolarization Events: 2. PSBL Distributions

AbstractThis paper represents the second part of an investigation of the acceleration of energetic oxygen ions from encounters with a dipolarization front (DF), based on test particle tracing in the fields of an MHD simulation. In this paper, we focus on distributions in the plasma sheet boundary layer (PSBL). O+ beams close to the plasma sheet boundary are found to be less pronounced and/or delayed against the H+ beams. The reason is that these particles are accelerated by nonadiabatic motion in the duskward electric field such that O+ ions gain the same amount of energy, but only 1/4 of the speed of protons. This causes a delay and larger equatorward displacement by the E × B drift. In contrast, the O+ beams somewhat deeper inside the plasma sheet, where previously multiple proton beams were found, are accelerated at an earthward propagating DF just like H+, forming a field‐aligned beam at a similar speed as the lowest‐energy H+ beam. We found that the source location depends on the adiabaticity of the orbit. For larger adiabaticity, the beam ions originate initially from the outer plasma sheet, but later from the opposite PSBL or lobe, but for low adiabaticity, sources are well inside the plasma sheet. The energy gained from a single encounter of a DF is comparable to the kinetic energy associated with the front speed. Assuming maximum speeds of 500–1,000 km/s, this yields a mass dependent acceleration of about 1–5 keV for protons and 20–80 keV for oxygen ions, independent of their charge state.

Nonadiabatic Atomic-Like State Stabilizing Antiferromagnetism and Mott Insulation in MnO

This paper reports evidence that the antiferromagnetic and insulating ground state of MnO is caused by a nonadiabatic atomic-like motion, as is evidently the case in NiO. In addition, it is shown that experimental findings on the displacements of the Mn and O atoms in the antiferromagnetic phase of MnO corroborate the presented suggestion that the rhombohedral-like distortion in antiferromagnetic MnO, as well as in antiferromagnetic NiO is an inner distortion of the monoclinic base-centered Bravais lattice of the antiferromagnetic phases.

Wannier States of FCC Symmetry Qualifying Paramagnetic NiO to Be a Mott Insulator

This letter extends my recent paper on antiferromagnetic NiO [Structural Distortion Stabilizing the Antiferromagnetic and Insulating Ground State of NiO, Symmetry 2020, 12(1), 56] by including also the paramagnetic phase of this compound. I report evidence that paramagnetic NiO possesses a narrow, roughly half-filled energy band that produces a nonadiabatic atomic-like motion providing the basis for a Mott insulator in the paramagnetic phase. While the atomic-like motion operating in the antiferromagnetic phase is adapted to the symmetry of the antiferromagnetic state, in the paramagnetic phase, the related localized states are represented by optimally localized Wannier functions possessing the full fcc symmetry of paramagnetic NiO. The nonadiabatic Wannier states are twofold degenerate, have d-like symmetry, and are situated at the Ni atoms.

Structural Distortion Stabilizing the Antiferromagnetic and Insulating Ground State of NiO

We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modifies the symmetry of the crystal in such a way that the antiferromagnetic state becomes an eigenstate of the electronic Hamiltonian. This deformation closely resembles a rhombohedral contraction, but does not possess the perfect symmetry of a trigonal (rhombohedral) space group. We determine the monoclinic base centered magnetic space group of the antiferromagnetic structure within the deformed crystal which is strongly influenced by the time-inversion symmetry of the Hamiltonian. The antiferromagnetic state is evidently stabilized by a nonadiabatic atomic-like motion of the electrons near the Fermi level. This atomic-like motion is characterized by the symmetry of the Bloch functions near the Fermi level and provides in NiO a perfect basis for a Mott insulator in the antiferromagnetic phase.

Molecular orbitals of delocalized electron clouds in neuronal domains

We have further developed the two-brains hypothesis as a form of complementarity (or complementary relationship) of endogenously induced weak magnetic fields in the electromagnetic brain. The locally induced magnetic field between electron magnetic dipole moments of delocalized electron clouds in neuronal domains is complementary to the exogenous electromagnetic waves created by the oscillating molecular dipoles in the electro-ionic brain. In this paper, we mathematically model the operation of the electromagnetic grid, especially in regard to the functional role of atomic orbitals of dipole-bound delocalized electrons. A quantum molecular dynamic approach under quantum equilibrium conditions is taken to illustrate phase differences between quasi-free electrons tethered to an oscillating molecular core. We use a simplified version of the many-body problem to analytically solve the macro-quantum wave equation (equivalent to the Kohn-Sham equation). The resultant solution for the mechanical angular momentum can be used to approximate the molecular orbital of the dipole-bound delocalized electrons. In addition to non-adiabatic motion of the molecular core, ‘guidance waves’ may contribute to the delocalized macro-quantum wave functions in generating nonlocal phase correlations. The intrinsic magnetic properties of the origins of the endogenous electromagnetic field are considered to be a nested hierarchy of electromagnetic fields that may also include electromagnetic patterns in three-dimensional space. The coupling between the two-brains may involve an ‘anticipatory affect’ based on the conceptualization of anticipation as potentiality, arising either from the macro-quantum potential energy or from the electrostatic effects of residual charges in the quantum and classical subsystems of the two-brains that occurs through partitioning of the potential energy of the combined quantum molecular dynamic system.

Non-adiabatic corrections to electric current in molecular junctions due to nuclear motion at the molecule-electrode interfaces.

We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We separate time scales in the Green's functions as fast relative time and slow central time. The derivative with respect to the central time serves as a small parameter in the theory. We solve the real-time Kadanoff-Baym equations for molecular Green's functions using Wigner representation and keep terms up to the second order with respect to the central time derivatives. Molecular Green's functions and consequently the electric current are expressed as functions of molecular junction coordinates as well as velocities and accelerations of molecule-electrode interface nuclei. We apply the theory to model a molecular system and study the effects of non-adiabatic nuclear motion on molecular junction conductivity.

Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport.

We develop nonequilibrium Green's function-based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow and fast time scales in the equations of motion for Green's functions by means of the Wigner representation. Time derivatives with respect to central time serve as a small parameter in the perturbative expansion enabling the computation of nonadiabatic corrections to molecular Green's functions. Consequently, we produce a series of analytic expressions for non-adiabatic electronic Green's functions (up to the second order in the central time derivatives), which depend not solely on the instantaneous molecular geometry but likewise on nuclear velocities and accelerations. An extended formula for electric current is derived which accounts for the non-adiabatic corrections. This theory is concisely illustrated by the calculations on a model molecular junction.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Electron dynamics surrounding the X line in asymmetric magnetic reconnection

AbstractElectron dynamics surrounding the X line in magnetopause‐type asymmetric reconnection is investigated using a two‐dimensional particle‐in‐cell simulation. We study electron properties of three characteristic regions in the vicinity of the X line. The fluid properties, velocity distribution functions (VDFs), and orbits are studied and cross‐compared. On the magnetospheric side of the X line, the normal electric field enhances the electron meandering motion from the magnetosheath side. The motion leads to a crescent‐shaped component in the electron VDF, in agreement with recent studies. On the magnetosheath side of the X line, the magnetic field line is so stretched in the third dimension that its curvature radius is comparable with typical electron Larmor radius. The electron motion becomes nonadiabatic, and therefore the electron idealness is no longer expected to hold. Around the middle of the outflow regions, the electron nonidealness is coincident with the region of the nonadiabatic motion. Finally, we introduce a finite‐time mixing fraction (FTMF) to evaluate electron mixing. The FTMF marks the magnetospheric side of the X line, where the nonideal energy dissipation occurs.

Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective.

It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H2+ can have large contributions arising from dynamic electron-nuclear correlation, going beyond what any Coulombic-based model can provide. This potential is defined via the exact factorization of the molecular wavefunction that allows the construction of a Schrödinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the nuclear system and any external fields. Here we study enhanced ionization in isotopologues of H2+ in order to investigate the nuclear-mass-dependence of these terms for this process. We decompose the exact potential into components that naturally arise from the conditional wavefunction, and also into components arising from the marginal electronic wavefunction, and compare the performance of propagation on these different components as well as approximate potentials based on the quasi-static or Hartree approximation with the exact propagation. A quasiclassical analysis is presented to help analyse the structure of different non-Coulombic components of the potential driving the ionizing electron.

Thin energetic O+ layer embedded in the magnetotail reconnection current sheet observed by Cluster

AbstractIn the classical picture of the magnetotail current sheet, the current carriers are mainly ions that undergo nonadiabatic motions. Oxygen ions could contribute a thicker current sheet than the protons due to their large gyroradii. In this paper, however, we report a thin energetic O+ layer embedded in the magnetotail proton current sheet observed by Cluster on 11 October 2001. The thickness of the O+ layer is estimated to be smaller than the half thickness of the local current sheet. And the layer is formed by energetic O+ with energy larger than 20 keV moving along the +Y direction in GSE coordinates. It is inferred that these energetic O+ are probably generated due to the selective acceleration effect of the thin reconnection electric field to the upstreaming ionospheric O+ ions with different initial condition.

Relativistic electron precipitation as seen by NOAA POES

AbstractWe performed a survey of relativistic electron precipitation (REP) events revealed by the Medium Energy Proton and Electron Detector instrument on board NOAA Polar‐orbiting Operational Environmental Satellites during a 38 day interval. We have divided the observed REP events into three groups with respect to the simultaneous observations of energetic (>30 keV) electron and proton precipitation. The first group consists of REP enhancements forming the isotropy zone at the poleward edge of trapped relativistic electron fluxes. These REP events are observed on the nightside, and they are, apparently, produced by isotropization process related to nonadiabatic motion of particles in the stretched magnetic field. The second group are the REP events related to simultaneous enhancements of energetic >30–300 keV electrons. These events have a wider magnetic local time range of occurrence with a maximum in the premidnight sector. They can be related to the interaction of electrons with waves whose possible nature is briefly discussed on the basis of comparison with the cold plasma density in the conjugated region of the equatorial plane. The third group consists of the REP events correlated with the burst‐like precipitation of >30–keV protons within an anisotropy zone, where the trapped flux dominates. These events are found in the dusk sector in association with enhanced cold plasma density in the conjugate equatorial magnetosphere. As is known, proton bursts within the anisotropy zone indicate the location of the electromagnetic ion cyclotron (EMIC) wave source. Such REP events can be due to scattering of the relativistic electrons by EMIC waves. However, we noted that some of these REP events are associated with precipitation of energetic electrons with low‐energy cutoff below 100 keV. We suggest that in such cases the electrons within a wide energy range are precipitated by other waves (probably, by plasmaspheric hiss).

Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics

Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

Energy–latitude dispersion patterns near the isotropy boundaries of energetic protons

Abstract. Non-adiabatic motion of plasma sheet protons causes pitch-angle scattering and isotropic precipitation to the ionosphere, which forms the proton auroral oval. This mechanism related to current sheet scattering (CSS) provides a specific energy–latitude dispersion pattern near the equatorward boundary of proton isotropic precipitation (isotropy boundary, IB), with precipitation sharply decreasing at higher (lower) latitude for protons with lower (higher) energy. However, this boundary maps to the inner magnetosphere, where wave-induced scattering may provide different dispersion patterns as recently demonstrated by Liang et al. (2014). Motivated by the potential usage of the IBs for the magnetotail monitoring as well as by the need to better understand the mechanisms forming the proton IB, we investigate statistically the details of particle flux patterns near the proton IB using NOAA-POES polar spacecraft observations made during September 2009. By comparing precipitated-to-trapped flux ratio (J0/J90) at >30 and >80 keV proton energies, we found a relatively small number of simple CSS-type dispersion events (only 31 %). The clear reversed (wave-induced) dispersion patterns were very rare (5 %). The most frequent pattern had nearly coinciding IBs at two energies (63 %). The structured precipitation with multiple IBs was very frequent (60 %), that is, with two or more significant J0/J90 dropouts. The average latitudinal width of multiple IB structures was about 1°. Investigation of dozens of paired auroral zone crossings of POES satellites showed that the IB pattern is stable on a timescale of less than 2 min (a few proton bounce periods) but can evolve on a longer (several minutes) scale, suggesting temporal changes in some mesoscale structures in the equatorial magnetosphere. We discuss the possible role of CSS-related and wave-induced mechanisms and their possible coupling to interpret the emerging complicated patterns of proton isotropy boundaries.

Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization ofH2+

A formulation of a multiconfiguration time-dependent Hartree-Fock (MCTDHF) method with nuclear motion is tested by application to a three-body breakup problem, the dissociative photoionization cross section of the ${\mathrm{H}}_{2}^{+}$ ion. The representation of the wave function in terms of a set of Slater determinants used for all nuclear geometries, with a prescribed parametric dependence upon the nuclear geometry such that the cusps follow the nuclei, times a complete basis expansion in the nuclear degrees of freedom shows promise as a method for treating nonadiabatic electronic and nuclear motion in molecules. However, the method used here for diatomics, in which the parametric dependence is prescribed through the choice of prolate spheroidal coordinates, produces qualitatively incorrect steplike behavior in the calculated cross section near onset. Modifications to the prolate spheroidal coordinate system that would improve this nonadiabatic diatomic MCTDHF representation are proposed.

A possible mechanism of the enhancement and maintenance of the shear magnetic field component in the current sheet of the Earth’s magnetotail

The influence of the shear magnetic field component, which is directed along the electric current in the current sheet (CS) of the Earth’s magnetotail and enhanced near the neutral plane of the CS, on the nonadiabatic dynamics of ions interacting with the CS is studied. The results of simulation of the nonadiabatic ion motion in the prescribed magnetic configuration similar to that observed in the magnetotail CS by the CLUSTER spacecraft demonstrated that, in the presence of some initial shear magnetic field, the north-south asymmetry in the ion reflection/refraction in the CS is observed. This asymmetry leads to the formation of an additional current system formed by the oppositely directed electric currents flowing in the northern and southern parts of the plasma sheet in the planes tangential to the CS plane and in the direction perpendicular to the direction of the electric current in the CS. The formation of this current system perhaps is responsible for the enhancement and further maintenance of the shear magnetic field near the neutral plane of the CS. The CS structure and ion dynamics observed in 17 intervals of the CS crossings by the CLUSTER spacecraft is analyzed. In these intervals, the shear magnetic field was increased near the neutral plane of the CS, so that the bell-shaped spatial distribution of this field across the CS plane was observed. The results of the present analysis confirm the suggested scenario of the enhancement of the shear magnetic field near the neutral plane of the CS due to the peculiarities of the nonadiabatic ion dynamics.