Thickness;#8208;dependent domain wall reorientation in 70/30 lead magnesium niobate;#8208; lead titanate thin films
Abstract not provided
Keech, Ryan↗
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The simulated features of heliospheric cosmic-ray modulation with a time-dependent drift model. II - On the energy dependence of the onset of new modulation in 1987
Time-dependent heliospheric cosmic-ray modulation for the period 1985-1989 is simulated by means of a time-dependent axially symmetric drift model with an emulated wavy heliospheric neutral sheet (HNS). The model is used to extend previous calculations to other energies in order to study a possible energy-dependence of the onset of new modulation at various radial distances in 1987. The model, with the outward propagating changes of the HNS as the only time-dependent parameters, is found to predict essentially no energy-dependence in the time when new modulation started in the simulated 1987. When a more practical approach in defining 'constant' modulation in 1987 is followed, the present calculations can be interpreted to indicate that the end of the recovery period in 1987 happened progressively earlier and the onset of new modulation progressively later the higher the rigidity of the cosmic rays. This period of relatively unchanged modulation is predicted to last longer with increasing radial distance.
Le Roux, J. A.↗
Time-dependent non-equilibrium dielectric response in QM/continuum approaches
The Polarizable Continuum Models (PCMs) are some of the most inexpensive yet successful methods for including the effects of solvation in quantum-mechanical calculations of molecular systems. However, when applied to the electronic excitation process, these methods are restricted to dichotomously assuming either that the solvent has completely equilibrated with the excited solute charge density (infinite-time limit), or that it retains the configuration that was in equilibrium with the solute prior to excitation (zero-time limit). This renders the traditional PCMs inappropriate for resolving time-dependent solvent effects on non-equilibrium solute electron dynamics like those implicated in the instants following photoexcitation of a solvated molecular species. To extend the existing methods to this non-equilibrium regime, we herein derive and apply a new formalism for a general time-dependent continuum embedding method designed to be propagated alongside the solute’s electronic degrees of freedom in the time domain. Given the frequency-dependent dielectric constant of the solvent, an equation of motion for the dielectric polarization is derived within the PCM framework and numerically integrated simultaneously with the time-dependent Hartree fock/density functional theory equations. Results for small molecular systems show the anticipated dipole quenching and electronic state dephasing/relaxation resulting from out-of-phase charge fluctuations in the dielectric and embedded quantum system.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Lie algebraic approach to the time-dependent quantum general harmonic oscillator and the bi-dimensional charged particle in time-dependent electromagnetic fields
We discuss the one-dimensional, time-dependent general quadratic Hamiltonian and the bi-dimensional charged particle in time-dependent electromagnetic fields through the Lie algebraic approach. Such method consists in finding a set of generators that form a closed Lie algebra in terms of which it is possible to express a quantum Hamiltonian and therefore the evolution operator. The evolution operator is then the starting point to obtain the propagator as well as the explicit form of the Heisenberg picture position and momentum operators. First, the set of generators forming a closed Lie algebra is identified for the general quadratic Hamiltonian. This algebra is later extended to study the Hamiltonian of a charged particle in electromagnetic fields exploiting the similarities between the terms of these two Hamiltonians. These results are applied to the solution of five different examples: the linear potential which is used to introduce the Lie algebraic method, a radio frequency ion trap, a Kanai–Caldirola-like forced harmonic oscillator, a charged particle in a time dependent magnetic field, and a charged particle in constant magnetic field and oscillating electric field. In particular we present exact analytical expressions that are fitting for the study of a rotating quadrupole field ion trap and magneto-transport in two-dimensional semiconductor heterostructures illuminated by microwave radiation. In these examples we show that this powerful method is suitable to treat quadratic Hamiltonians with time dependent coefficients quite efficiently yielding closed analytical expressions for the propagator and the Heisenberg picture position and momentum operators. -- Highlights: •We deal with the general quadratic Hamiltonian and a particle in electromagnetic fields. •The evolution operator is worked out through the Lie algebraic approach. •We also obtain the propagator and Heisenberg picture position and momentum operators. •Analytical expressions for a rotating quadrupole field ion trap are presented. •Exact solutions for magneto-transport in variable electromagnetic fields are shown.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Two-stream instability with time-dependent drift velocity
The classical two-stream instability driven by a constant relative drift velocity between two plasma components is extended to the case with time-dependent drift velocity. A solution method is developed to rigorously define and calculate the instability growth rate for linear perturbations relative to the time-dependent unperturbed two-stream motions. The stability diagrams for the oscillating two-stream instability are presented over a large region of parameter space. It is shown that the growth rate for the classical two-stream instability can be significantly reduced by adding an oscillatory component to the relative drift velocity.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Multi-fluid transport code modeling of time-dependent recycling in ELMy H-mode
Simulations of a high-confinement-mode (H-mode) tokamak discharge with infrequent giant type-I ELMs are performed by the multi-fluid, multi-species, two-dimensional transport code UEDGE-MB, which incorporates the Macro-Blob approach for intermittent non-diffusive transport due to filamentary coherent structures observed during the Edge Localized Modes (ELMs) and simple time-dependent multi-parametric models for cross-field plasma transport coefficients and working gas inventory in material surfaces. Temporal evolutions of pedestal plasma profiles, divertor recycling, and wall inventory in a sequence of ELMs are studied and compared to the experimental time-dependent data. Short- and long-time-scale variations of the pedestal and divertor plasmas where the ELM is described as a sequence of macro-blobs are discussed. It is shown that the ELM recovery includes the phase of relatively dense and cold post-ELM divertor plasma evolving on a several ms scale, which is set by the transport properties of H-mode barrier. The global gas balance in the discharge is also analyzed. The calculated rates of working gas deposition during each ELM and wall outgassing between ELMs are compared to the ELM particle losses from the pedestal and neutral-beam-injection fueling rate, correspondingly. A sensitivity study of the pedestal and divertor plasmas to model assumptions for gas deposition and release on material surfaces is presented. The performed simulations show that the dynamics of pedestal particle inventory is dominated by the transient intense gas deposition into the wall during each ELM followed by continuous gas release between ELMs at roughly a constant rate.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Sublinear scaling for time-dependent stochastic density functional theory
A stochastic approach to time-dependent density functional theory is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves time-propagation of a small set of stochastic orbitals which are first projected on the occupied space and then propagated in time according to the time-dependent Kohn-Sham equations. The evolving electron density is exactly represented when the number of random orbitals is infinite, but even a small number (≈16) of such orbitals is enough to obtain meaningful results for absorption spectrum and the RPA correlation energy per electron. We implement the approach for silicon nanocrystals using real-space grids and find that the overall scaling of the algorithm is sublinear with computational time and memory.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Frequency-dependent polarization-angle-phase-shift in the microwave-induced magnetoresistance oscillations
Linear polarization angle, θ, dependent measurements of the microwave radiation-induced oscillatory magnetoresistance, R{sub xx}, in high mobility GaAs/AlGaAs 2D electron devices have shown a θ dependence in the oscillatory amplitude along with magnetic field, frequency, and extrema-dependent phase shifts, θ{sub 0}. Here, we suggest a microwave frequency dependence of θ{sub 0}(f) using an analysis that averages over other smaller contributions, when those contributions are smaller than estimates of the experimental uncertainty.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Growth temperature dependence of Si doping efficiency and compensating deep level defect incorporation in Al{sub 0.7}Ga{sub 0.3}N
The growth temperature dependence of Si doping efficiency and deep level defect formation was investigated for n-type Al{sub 0.7}Ga{sub 0.3}N. It was observed that dopant compensation was greatly reduced with reduced growth temperature. Deep level optical spectroscopy and lighted capacitance-voltage were used to understand the role of acceptor-like deep level defects on doping efficiency. Deep level defects were observed at 2.34 eV, 3.56 eV, and 4.74 eV below the conduction band minimum. The latter two deep levels were identified as the major compensators because the reduction in their concentrations at reduced growth temperature correlated closely with the concomitant increase in free electron concentration. Possible mechanisms for the strong growth temperature dependence of deep level formation are considered, including thermodynamically driven compensating defect formation that can arise for a semiconductor with very large band gap energy, such as Al{sub 0.7}Ga{sub 0.3}N.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Temperature-dependent optical measurements of the dominant recombination mechanisms in InAs/InAsSb type-2 superlattices
Temperature-dependent measurements of carrier recombination rates using a time-resolved optical pump-probe technique are reported for mid-wave infrared InAs/InAs{sub 1−x}Sb{sub x} type-2 superlattices (T2SLs). By engineering the layer widths and alloy compositions, a 16 K band-gap of ∼235 ± 10 meV was achieved for five unintentionally and four intentionally doped T2SLs. Carrier lifetimes were determined by fitting lifetime models based on Shockley-Read-Hall (SRH), radiative, and Auger recombination processes to the temperature and excess carrier density dependent data. The minority carrier (MC), radiative, and Auger lifetimes were observed to generally increase with increasing antimony content and decreasing layer thickness for the unintentionally doped T2SLs. The MC lifetime is limited by SRH processes at temperatures below 200 K in the unintentionally doped T2SLs. The extracted SRH defect energy levels were found to be near mid-bandgap. Also, it is observed that the MC lifetime is limited by Auger recombination in the intentionally doped T2SLs with doping levels greater than n ∼ 10{sup 16} cm{sup −3}.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Size-dependent error of the density functional theory ionization potential in vacuum and solution
Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potential for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)
A coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Time-dependent analysis of visible helium line-ratios for electron temperature and density diagnostic using synthetic simulations on NSTX-U
Helium line-ratios for electron temperature (T{sub e}) and density (n{sub e}) plasma diagnostic in the Scrape-Off-Layer (SOL) and edge regions of tokamaks are widely used. Due to their intensities and proximity of wavelengths, the singlet, 667.8 and 728.1 nm, and triplet, 706.5 nm, visible lines have been typically preferred. Time-dependency of the triplet line (706.5 nm) has been previously analyzed in detail by including transient effects on line-ratios during gas-puff diagnostic applications. In this work, several line-ratio combinations within each of the two spin systems are analyzed with the purpose of eliminating transient effects to extend the application of this powerful diagnostic to high temporal resolution characterization of plasmas. The analysis is done using synthetic emission modeling and diagnostic for low electron density NSTX SOL plasma conditions by several visible lines. Quasi-static equilibrium and time-dependent models are employed to evaluate transient effects of the atomic population levels that may affect the derived electron temperatures and densities as the helium gas-puff penetrates the plasma. The analysis of a wider range of spectral lines will help to extend this powerful diagnostic to experiments where the wavelength range of the measured spectra may be constrained either by limitations of the spectrometer or by other conflicting lines from different ions.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Main-sequence Scatter is Real: The Joint Dependence of Galaxy Clustering on Star Formation and Stellar Mass
We present new measurements of the clustering of stellar-mass-complete samples of ∼40,000 SDSS galaxies at z ∼ 0.03 as a joint function of stellar mass and specific star formation rate (sSFR). Our results confirm what Coil et al. find at z ∼ 0.7: galaxy clustering is a stronger function of sSFR at fixed stellar mass than of stellar mass at fixed sSFR. We also find that galaxies above the star-forming main sequence (SFMS) with higher sSFR are less clustered than galaxies below the SFMS with lower sSFR, at a given stellar mass. A similar trend is present for quiescent galaxies. This confirms that main-sequence scatter, and scatter within the quiescent sequence, is physically connected to the large-scale cosmic density field. We compare the resulting galaxy bias versus sSFR, and relative bias versus sSFR ratio, for different galaxy samples across 0 < z < 1.2 to mock galaxy catalogs based on the empirical galaxy evolution model of Behroozi et al. This model fits PRIMUS and DEEP2 clustering data well at intermediate redshift, but agreement with SDSS is not as strong. We show that increasing the correlation between galaxy SFR and halo accretion rate at z ∼ 0 in the model substantially improves agreement with SDSS data. Mock catalogs suggest that central galaxies contribute substantially to the dependence of clustering on sSFR at a given stellar mass and that the signal is not simply an effect of satellite galaxy fraction differences with sSFR. Our results are highly constraining for galaxy evolution models and show that the stellar-to-halo mass relation depends on sSFR.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Uncovering the Size-dependent Thermal Solid Transformation of Akaganéite
Investigating the structural evolution and phase transformation of iron oxides is crucial for gaining a deeper understanding of geological changes on diverse planets and preparing oxide materials suitable for industrial applications. In this study, we employed in-situ heating techniques in conjunction with transmission electron microscopy (TEM) observations and ex-situ characterization to thoroughly analyze the thermal solid-phase transformation of akaganéite one-dimensional (1D) nanostructures with varying diameters. Our findings offer compelling evidence for a size-dependent morphology evolution in akaganéite 1D nanostructures, which can be attributed to the transformation from akaganéite to maghemite (?-Fe2O3) and subsequent crystal growth. Specifically, we observed that akaganéite nanorods with a diameter of around 50 nm transformed into hollow polycrystalline maghemite nanorods, which demonstrated remarkable stability without arresting crystal growth under continuous heating. In contrast, smaller akaganéite nanoneedles or nanowires with a diameter ranging from 20 to 8 nm displayed a propensity for forming single-crystal nanoneedles or nanowires through phase transformation and densification. By manipulating the size of the precursors, we have developed a straightforward method for the synthesis of single-crystal and polycrystalline maghemite nanowires through solid-phase transformation. These significant findings provide new insights into the size-dependent structural evolution and phase transformation of iron oxides at the nanoscale.
Wang, Xiang↗
Rapidity and transverse-momentum dependence of the inclusive J/ψ nuclear modification factor in p-Pb collisions at $ \sqrt{s_{N\ N}} $ = 5.02 TeV
We have studied the transverse-momentum (p T ) dependence of the inclusive J/ψ production in p-Pb collisions at $\sqrt{^sNN}$ = 5.02 TeV, in three center-of-mass rapidity (y cms ) regions, down to zero p T . Results in the forward and backward rapidity ranges (2.03 < y cms < 3.53 and –4.46 < y cms < –2.96) are obtained by studying the J/ψ decay to μ + μ – , while the mid-rapidity region (–1.37 < y cms < 0.43) is investigated by measuring the e + e – decay channel. The p T dependence of the J/ψ production cross section and nuclear modification factor are presented for each of the rapidity intervals, as well as the J/ψ mean p T values. Forward and mid-rapidity results show a suppression of the J/ψ yield, with respect to pp collisions, which decreases with increasing p T . At backward rapidity no significant J/ψ suppression is observed. Theoretical models including a combination of cold nuclear matter effects such as shadowing and partonic energy loss, are in fair agreement with the data, except at forward rapidity and low transverse momentum. The implications of the p-Pb results for the evaluation of cold nuclear matter effects on J/ψ production in Pb-Pb collisions are also discussed.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Host-specific and tissue-dependent orchestration of microbiome community structure in traditional rice paddy ecosystems
Abstract Background and aim Rice and duckweed are two monocotyledonous plants that naturally coexist in paddy fields. While the presence of duckweed in paddy fields significantly improves rice productivity, the interplay between soil microbes and the two plant hosts in this agroecosystem remains unexplored. Methods We compared the bacterial community structure between duckweed, rice and soil from multiple rice paddies. We also isolated bacteria from these communities and characterized their modes of bacterial colonization and plant growth-promotion using model plants. Results Our data indicate that host-specific and tissue-dependent factors reproducibly orchestrate the bacterial community structure associated with their plant hosts. This is corroborated by results from culture-dependent approaches in which the dominant genus Pantoea isolated from rice aerial tissues can strongly attach and colonize gnotobiotic duckweed in spite of the low representation of this bacterial genus in the natural duckweed microbiome. Our study identified a core of 254 bacterial taxa that are consistently found in all rice and duckweed tissue samples from rice paddy fields. Furthermore, characterizing auxin-producing bacteria isolates from both plant species identified potential plant growth-promoting bacteria that may improve growth for both duckweed and rice in paddy fields. Conclusions Results from this work provide evidence for the importance of the host tissue and species context in determining plant colonization by microbes in the paddy field system. The resources generated in this study could facilitate the agronomic deployment of microbes for more sustainable rice production.
Agriculture↗
FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation
The time-dependent generator coordinate method (TDGCM) is a powerful method to study the largeamplitude collective motion of quantum many-body systems such as atomic nuclei. Under the GaussianOverlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in amulti-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solvesthe collective Schrödinger equation in a finite element basis. This new version features: (i) the ability tosolve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) supportfor new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonianand overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylovapproximation of the time propagator for time integration instead of the implicit Crank–Nicolson methodimplemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on ananalytic problem as well as on realistic two-dimensional calculations of the low-energy fission of240Puand256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplexelements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectralelement method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fissionmass distributions of240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numericalprecision of a few percents).
Regnier, D.↗