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At least 631 records · Page 35

Static and dynamic magnetic properties of honeycomb lattice antiferromagnets Na 2 M 2 TeO 6 , M = Co and Ni

The magnetic structures and spin dynamics of Na 2 CO 2 TeO 6 and Na 2 Ni 2 TeO 6 are investigated by means of elastic and inelastic neutron scattering measurements and the results are discussed in the context of a generalized Kitaev-Heisenberg model on a honeycomb lattice with strong spin-orbit coupling. The large number of parameters involved in the Hamiltonian model is evaluated by using an iterative optimization algorithm capable of extracting model solutions and simultaneously estimating their uncertainty. The analyses indicate that both Co 2+ (d 7 ) and Ni 2+ (d 8 ) antiferromagnets realize bond-dependent anisotropic nearest-neighbor interactions and support the theoretical predictions for the realization of Kitaev physics in 3 d electron systems with effective spins S = 1/2 and 1. By studying the Na-doped system Na 2.4 Ni 2 TeO 6 , we show that the control of Na content can provide an effective route for fine-tuning the magnetic lattice dimensionality, as well as to controlling the bond-dependent anisotropic interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nonlinear Lifshitz photon theory in condensed matter systems

We present an interacting theory of a U(1) gauge boson with a quadratic dispersion relation, which we call the "nonlinear Lifshitz photon theory.'' The Lifshitz photon is a three-dimensional generalization of the Tkachenko mode in rotating superfluids. Starting from the Wigner crystal of charged particles coupled to a dynamical U(1) gauge field, after integrating out gapped degrees of freedom, we arrive at the Lagrangian for the nonlinear Lifshitz photon. The symmetries of the theory include a global U(1) 1-form symmetry and nonlinearly realized "magnetic" translation and rotation symmetries. The interaction terms in the theory lead to the decay of the Lifshitz photon, the rate of which we estimate. We show that the Wilson loop, which plays the role of the order parameter of the spontaneous breaking of the 1-form global symmetry, deviates from the perimeter law by an additional logarithmic factor. Here, we explore potential connections to other condensed matter systems, with a particular focus on quantum spin ice and ferromagnets. Finally, we generalize our theory to higher dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mechanistic within-host mathematical model of inhalational anthrax

We present a mathematical model of the dynamics of Bacillus anthracis bacteria within the lymph nodes and blood of a host, following inhalation of an initial dose of spores. We also incorporate the dynamics of protective antigen, which is the binding component of the anthrax toxin produced by the bacteria. The model offers a mechanistic description of the early infection dynamics of inhalational anthrax, while its stochastic nature allows us to study the probabilities of different outcomes (for example, how likely it is that the infection will be cleared for a given inhaled dose of spores) in order to explain dose-response data for inhalational anthrax. The model is calibrated via a Bayesian approach, using in vivo data from New Zealand white rabbit and guinea pig infection studies, enabling within-host parameters to be estimated. We also leverage incubation-period data from the Sverdlovsk 1979 anthrax outbreak to show that the model can accurately describe human time-to-symptoms data under reasonable parameter regimes. Finally, we derive a simple approximate formula for the probability of symptom onset before time t, assuming that the number of inhaled spores has a Poisson distribution.

59 BASIC BIOLOGICAL SCIENCES↗

Fractal Model for Drag Reduction on Multiscale Nonwetting Rough Surfaces

Rough surfaces in contact with a flow of fluid exhibit alternating no-slip and free shear boundary conditions at the solid–liquid and air–liquid interfaces, respectively, thereby potentially offering drag reduction benefits. The balance between the dynamic pressure in the flow and the restoring capillary pressure in the interasperity spaces determines the stability of the Cassie state of wettability and is a function of the relative extent of no-slip and free shear regions per unit surface area. In the present study, using a fractal representation of rough surface topography, an analytical model is developed to quantify the stability of the Cassie state of wettability as well as drag reduction and the friction factor for laminar flow in a rectangular channel between nonwetting multiscale rough surfaces. A systematic study is conducted to quantify the effects of fractal parameters of the surfaces and the flow Reynolds number on drag reduction and the friction factor. The studies are used to develop friction factor curves extending the classical Moody diagram to hydrophobic and superhydrophobic surfaces. On the basis of the studies, regime maps are derived for estimating the extent of drag reduction offered by hydrophobic and superhydrophobic surfaces, revealing that superhydrophobic surfaces do not always offer the best drag reduction performance. The application of the fractal model to practical topographies of nonwetting surfaces of copper, aluminum, and zinc oxide fabricated via electrodeposition and etching is also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aggregation and data driven identification of building thermal dynamic model and unmeasured disturbance

An aggregate model is a single-zone equivalent of a multi-zone building, and is useful for many purposes, including model based control of large heating, ventilation and air conditioning (HVAC) equipment. This paper deals with the problem of simultaneously identifying an aggregate thermal dynamic model and unknown disturbances from input–output data of multi-zone buildings. The unknown disturbance is a key challenge since it is not measurable but non-negligible. In this paper, we first present a principled method to aggregate a multi-zone building model into a single zone model, and show the aggregation is not as trivial as it has been assumed in the prior art. We then provide a method to identify the parameters of the model and the unknown disturbance for this aggregate (single-zone) model. Finally, we test our proposed identification algorithm to data collected from a multi-zone building testbed in Oak Ridge National Laboratory. A key insight provided by the aggregation method allows us to recognize under what conditions the estimation of the disturbance signal will be necessarily poor and uncertain, even in the case of a specially designed test in which the disturbances affecting each zone are known (as the case of our experimental testbed). This insight is used to provide a heuristic that can be used to assess when the identification results are likely to have high or low accuracy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Spin dynamics in the stripe-ordered buckled honeycomb lattice antiferromagnet Ba 2 NiTeO 6

We carried out inelastic neutron scattering experiments on a buckled honeycomb lattice antiferromagnet Ba 2 NiTeO 6 exhibiting a stripe structure at a low temperature. Magnetic excitations are observed in the energy range of ℏω≲10 meV having an anisotropy gap of 2 meV at 2 K. We perform spin-wave calculations to identify the spin model. The obtained microscopic parameters are consistent with the location of the stripe structure in the classical phase diagram. Furthermore, the Weiss temperature independently estimated from a bulk magnetic susceptibility is consistent with the microscopic parameters. The results reveal that a competition between the nearest-neighbor and next-nearest-neighbor interactions that together with a relatively large single-ion magnetic anisotropy stabilize the stripe magnetic structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

STOCHASTIC VARIABILITY IN X-RAY EMISSION FROM THE BLACK HOLE BINARY GRS 1915+105

We examine stochastic variability in the dynamics of X-ray emission from the black hole system GRS 1915+105, a strongly variable microquasar commonly used for studying relativistic jets and the physics of black hole accretion. The analysis of sample observations for 13 different states in both soft (low) and hard (high) energy bands is performed by flicker-noise spectroscopy (FNS), a phenomenological time series analysis method operating on structure functions and power spectrum estimates. We find the values of FNS parameters, including the Hurst exponent, flicker-noise parameter, and characteristic timescales, for each observation based on multiple 2500 s continuous data segments. We identify four modes of stochastic variability driven by dissipative processes that may be related to viscosity fluctuations in the accretion disk around the black hole: random (RN), power-law (1F), one-scale (1S), and two-scale (2S). The variability modes are generally the same in soft and hard energy bands of the same observation. We discuss the potential for future FNS studies of accreting black holes.

79 ASTRONOMY AND ASTROPHYSICS↗

BWR transient analysis using neutronic / thermal hydraulic coupled codes including uncertainty quantification

The KIT is involved in the development and qualification of best estimate methodologies for BWR transient analysis in cooperation with industrial partners. The goal is to establish the most advanced thermal hydraulic system codes coupled with 3D reactor dynamic codes to be able to perform a more realistic evaluation of the BWR behavior under accidental conditions. For this purpose a computational chain based on the lattice code (SCALE6/GenPMAXS), the coupled neutronic/thermal hydraulic code (TRACE/PARCS) as well as a Monte Carlo based uncertainty and sensitivity package (SUSA) has been established and applied to different kind of transients of a Boiling Water Reactor (BWR). This paper will describe the multidimensional models of the plant elaborated for TRACE and PARCS to perform the investigations mentioned before. For the uncertainty quantification of the coupled code TRACE/PARCS and specifically to take into account the influence of the kinetics parameters in such studies, the PARCS code has been extended to facilitate the change of model parameters in such a way that the SUSA package can be used in connection with TRACE/PARCS for the U and S studies. This approach will be presented in detail. The results obtained for a rod drop transient with TRACE/PARCS using the SUSA-methodology showed clearly the importance of some kinetic parameters on the transient progression demonstrating that the coupling of a best-estimate coupled codes with uncertainty and sensitivity tools is very promising and of great importance for the safety assessment of nuclear reactors. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Critical Role of the Steric Factor in the Viscoelasticity of Vitrimers

Dynamic covalent networks (DCNs) are a promising solution to mitigate plastic-waste-related issues through improved recyclability enabled by dynamic bonds. However, our understanding of the mechanisms controlling their viscoelasticity, especially in vitrimers where bond exchange relies on associative reactions, remains limited. Here, in this study, we investigate the dynamics in model DCNs with boric ester functionalities, and the analysis of the temperature dependence of their terminal relaxation times revealed a puzzling result: extremely large Arrhenius prefactors associated with their dynamic bond rearrangement times. We ascribe this observation to the often-overlooked chemical steric factor that slows down chemical reactions, therefore decreasing the vitrimers’ bond exchange rate by many orders. The estimated steric factor of the bond exchange in our model DCNs is comparable to those observed in boronic ester exchange reactions between small molecules. Additional analysis of literature data revealed an overall low steric factor also for imine bond exchange, thus highlighting the role of this parameter in tremendously slowing down bond exchange in DCNs despite low activation energy barriers. We propose a general approach for designing vitrimers with desired viscoelastic and creep properties considering the critical role of the steric factor in bond rearrangement mechanisms, in addition to the traditionally considered activation energy and matrix properties.

Carden, Gregory P. [Univ. of Tennessee, Knoxville,↗

A Random Walk Model for Biomass Particle Mixing in Bubbling Fluidized Beds

We propose a physically motivated random walk model to describe the spatial and temporal mixing of a single biomass particle in a bubbling fluidized bed. The model parameters are estimated from measurements of a magnetically tagged simulated biomass particle in a laboratory fluidized bed. We demonstrate that Monte Carlo simulations using the model match key statistical features of the observed behavior reasonably well. These results suggest that a model of this type can simulate the effects of biomass particle mixing in biomass conversion reactors. We suggest possible improvements to the random walk model and propose how it might be used in conjunction with computational fluid dynamics simulations.

09 BIOMASS FUELS↗

Development of diagnostic and manipulation systems for space-charge dominated electron beams and confined electron plasmas in ELTRAP

Modifications have been implemented in the Penning-Malmberg device ELTRAP aimed at performing studies on the dynamics of space-charge dominated nanosecond electron bunches traveling along the magnetic field. In particular, a Thomson backscattering apparatus has been developed where an infrared (IR) laser pulse collides with the bunched electron beam. The frequency-shifted backscattered radiation, acquired by means of a photomultiplier (PMT), can be exploited to evaluate information on energy, energy spread and density of the bunch. The achievable sensitivity of the diagnostics has been estimated, and valuable information on the main parameters affecting the signal-to-noise (S/N) ratio has been obtained [B. Paroli, F. Cavaliere, M. Cavenago, F. De Luca, M. Ikram, G. Maero, C. Marini, R. Pozzoli, and M. Rome, JINST 7, P01008 (2012)]. A series of upgrades are under way, aimed at increasing the S/N ratio through the use of a new laser for the electron source, the insertion of a stray light shield, and the optimization of the detection electronics. Moreover, electromagnetic simulations relevant to the design and implementation of a microwave heating system are presented. The generation of an electron plasma in ELTRAP by means of a low-power radio frequency (RF) drive in the MHz range applied on one of the trap electrodes and under ultra-high vacuum (UHV) conditions has previously been demonstrated [B. Paroli, F. De Luca, G. Maero, F. Pozzoli, and M. Rome, Plasma Sources Sci. Technol. 19, 045013 (2010)]. The new heating system will allow the extension of the RF studies to the GHz range and in particular the production of a more energetic electron plasma via cyclotron resonant excitation.

43 PARTICLE ACCELERATORS↗

M31 GLOBULAR CLUSTER STRUCTURES AND THE PRESENCE OF X-RAY BINARIES

The Andromeda galaxy, M31, has several times the number of globular clusters found in the Milky Way. It contains a correspondingly larger number of low-mass X-ray binaries (LMXBs) associated with globular clusters, and as such can be used to investigate the cluster properties that lead to X-ray binary formation. The best tracer of the spatial structure of M31 globulars is the high-resolution imaging available from the Hubble Space Telescope (HST), and we have used HST data to derive structural parameters for 29 LMXB-hosting M31 globular clusters. These measurements are combined with structural parameters from the literature for a total of 41 (of 50 known) LMXB clusters and a comparison sample of 65 non-LMXB clusters. Structural parameters measured in blue bandpasses are found to be slightly different (smaller core radii and higher concentrations) than those measured in red bandpasses; this difference is enhanced in LMXB clusters and could be related to stellar population differences. Clusters with LMXBs show higher collision rates for their mass compared to clusters without LMXBs, and collision rates estimated at the core radius show larger offsets than rates estimated at the half-light radius. These results are consistent with the dynamical formation scenario for LMXBs. A logistic regression analysis finds that, as expected, the probability of a cluster hosting an LMXB increases with increasing collision rate and proximity to the galaxy center. The same analysis finds that probability of a cluster hosting an LMXB decreases with increasing cluster mass at a fixed collision rate, although we caution that this could be due to sample selection effects. Metallicity is found to be a less important predictor of LMXB probability than collision rate, mass, or distance, even though LMXB clusters have a higher metallicity on average. This may be due to the interaction of location and metallicity: a sample of M31 LMXBs with a greater range in galactocentric distance would likely contain more metal-poor clusters and make it possible to disentangle the two effects.

79 ASTRONOMY AND ASTROPHYSICS↗

The older plant gets the sun: Age-related changes in Miscanthus × giganteus phenology

Age-related changes are usually overlooked in perennial grass research; when they are considered it is usually as a change in plant size (e.g., biomass). Whether other physiological or developmental aspects change as stands age, and how those aspects may impact long-term stand dynamics, remains unclear. Conventional experimental designs study a single stand over multiple growing seasons and thereby confound age-related changes with growing season conditions. Here we used a staggered-start experimental design with three repeated planting years over two growing seasons to isolate growing season effects. We studied changes in Miscanthus × giganteus phenology during its yield-building stage (first 3 years) and estimated age, growing season and nitrogen (N) effects on development using nonlinear regression parameters. Stand age clearly changed plant growth; faster developmental rates were usually seen in 1-year-old stands (young), but because 2- and 3-year-old stands (mature) emerged 3 months earlier than newly planted stands they produced ~30% more stems with 30%–60% more leaves. Nitrogen fertilization modulated some age-related phenological changes. Fertilized 2-year-old stands reached similar stem densities as unfertilized 3-year-old stands and had fewer number of senesced leaves like 1-year-old stands. In addition, N fertilization had no effect on young M. × giganteus , but extended mature stands’ growing season more than 2 weeks by hastening emergence and delaying senescence. It also delayed flowering regardless of stand age. Our results suggest that, along with changes in size, M. × giganteus stands showed shifts in developmental strategies: young stands emerged later and developed faster, while mature stands grew for longer but more slowly. In temperate regions, where hard frost events are likely to interrupt development in late autumn, rapid early development is critical to plant survival. Nonlinear regression parameter differences proved effective in identifying phenological shifts.

59 BASIC BIOLOGICAL SCIENCES↗

Stability and convergence analysis of the quasi-dynamics method for the initial pebble packing

The simulation for the pebble flow recirculation within Pebble Bed Reactors (PBRs) requires an efficient algorithm to generate an initial overlap-free pebble configuration within the reactor core. In the previous work, a dynamics-based approach, the Quasi-Dynamics Method (QDM), has been proposed to generate densely distributed pebbles in PBRs with cylindrical and annular core geometries. However, the stability and the efficiency of the QDM were not fully addressed. In this work, the algorithm is reformulated with two control parameters and the impact of these parameters on the algorithm performance is investigated. Firstly, the theoretical analysis for a 1-D packing system is conducted and the range of the parameter in which the algorithm is convergent is estimated. Then, this estimation is verified numerically for a 3-D packing system. Finally, the algorithm is applied to modeling the PBR fuel loading configuration and the convergence performance at different packing fractions is presented. Results show that the QDM is efficient in packing pebbles within the realistic range of the packing fraction in PBRs, and it is capable in handling cylindrical geometry with packing fractions up to 63.5%. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Phonons and magnetic excitation correlations in weak ferromagnetic YCrO{sub 3}

Here, we report the temperature dependent Raman spectroscopic studies on orthorhombically distorted perovskite YCrO{sub 3} over a temperature range of 20–300 K. Temperature dependence of DC-magnetization measurements under field cooled and zero field cooled protocols confirmed a Néel transition at T{sub N} ∼ 142 K. Magnetization isotherms recorded at 125 K show a clear loop opening without any magnetization saturation up to 20 kOe, indicating a coexistence of antiferromagnetic (AFM) and weak ferromagnetic (WFM) phases. Estimation of exchange constants using mean-field approximation further confirm the presence of a complex magnetic phase below T{sub N}. Temperature evolution of Raman line-shape parameters of the selected modes (associated with the octahedral rotation and A(Y)-shift in the unit-cell) reveal an anomalous phonon shift near T{sub N}. An additional phonon anomaly was identified at T{sup *} ∼ 60 K, which could possibly be attributed to the change in the spin dynamics. Moreover, the positive and negative shifts in Raman frequencies between T{sub N} and T{sup *} suggest competing WFM and AFM interactions. A close match between the phonon frequency of B{sub 3g} (3)-octahedral rotation mode with the square of sublattice magnetization between T{sub N} and T{sup *} is indicative of the presence of spin-phonon coupling in multiferroic YCrO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Resistive hose modes in tokamak runaway electron beams

Beams of energetic runaway electrons are generated during disruptions in tokamaks, and fluid models are used to study their effects on macroscale dynamics. Linear computations of a massless, runaway electron beam coupled to MHD plasma show that resistive hose instabilities grow faster than tearing modes at large resistivity. Eigenvalue results with reduced models of the resistive hose instability are compared with results from the full MHD and beam system, showing that the resistive hose decouples from any plasma response. An estimate of plasma temperature at which growth of the resistive hose dominates tearing for post-disruption DIII-D plasma parameters is in a physically relevant regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

THE MOLECULAR GAS IN LUMINOUS INFRARED GALAXIES. II. EXTREME PHYSICAL CONDITIONS AND THEIR EFFECTS ON THE X{sub co} FACTOR

In this work, we conclude the analysis of our CO line survey of luminous infrared galaxies (LIRGs: L{sub IR} {approx}> 10{sup 11} L{sub Sun }) in the local universe (Paper I) by focusing on the influence of their average interstellar medium (ISM) properties on the total molecular gas mass estimates via the so-called X{sub co} = M(H{sub 2})/L{sub co,1-0} factor. One-phase radiative transfer models of the global CO spectral line energy distributions (SLEDs) yield an X{sub co} distribution with (X{sub co}) {approx} (0.6 {+-} 0.2) M{sub Sun} (K km s{sup -1} pc{sup 2}){sup -1} over a significant range of average gas densities, temperatures, and dynamic states. The latter emerges as the most important parameter in determining X{sub co}, with unbound states yielding low values and self-gravitating states yielding the highest ones. Nevertheless, in many (U)LIRGs where available higher-J CO lines (J = 3-2, 4-3, and/or J = 6-5) or HCN line data from the literature allow a separate assessment of the gas mass at high densities ({>=}10{sup 4} cm{sup -3}) rather than a simple one-phase analysis, we find that near-Galactic X{sub co} {approx} (3-6) M{sub Sun} (K km s{sup -1} pc{sup 2}){sup -1} values become possible. We further show that in the highly turbulent molecular gas in ULIRGs, a high-density component will be common and can be massive enough for its high X{sub co} to dominate the average value for the entire galaxy. Using solely low-J CO lines to constrain X{sub co} in such environments (as has been the practice up until now) may have thus resulted in systematic underestimates of molecular gas mass in ULIRGs, as such lines are dominated by a warm, diffuse, and unbound gas phase with low X{sub co} but very little mass. Only well-sampled high-J CO SLEDs (J = 3-2 and higher) and/or multi-J observations of heavy rotor molecules (e.g., HCN) can circumvent such a bias, and the latter type of observations may have actually provided early evidence of it in local ULIRGs. The only way that the global X{sub co} of such systems could be significantly lower than Galactic is if the average dynamic state of the dense gas is strongly gravitationally unbound. This is an unlikely possibility that must nevertheless be examined, with lines of rare isotopologues of high gas density tracers (e.g., H{sup 13}CN, high-J{sup 13}CO lines) being very valuable in yielding (along with the lines of the main isotopes) such constraints. For less IR-luminous, disk-dominated systems, we find that the galaxy-averaged X{sub co} deduced by one-phase models of global SLEDs can also underestimate the total molecular gas mass when much of it lies in an star-formation-quiescent phase extending beyond a central star-forming region. This is because such a phase (and its large X{sub co}) remains inconspicuous in global CO SLEDs. Finally, detailed studies of a subsample of galaxies find ULIRGs with large amounts ({approx}10{sup 9} M{sub Sun }) of very warm ({>=}100 K) and dense gas ({approx}>10{sup 5} cm{sup -3}), which could represent a serious challenge to photon-dominated regions as the main energy portals in the molecular ISM of such systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulating the biogeochemical and biogeophysical impacts of transient land cover change and wood harvest in the Community Climate System Model (CCSM4) from 1850 to 2100

To assess the climate impacts of historical and projected land cover change and land use in the Community Climate System Model (CCSM4) we have developed new time series of transient Community Land Model (CLM4) Plant Functional Type (PFT) parameters and wood harvest parameters. The new parameters capture the dynamics of the Coupled Model Inter-comparison Project phase 5 (CMIP5) land cover change and wood harvest trajectories for the historical period from 1850 to 2005, and for the four Representative Concentration Pathways (RCP) periods from 2006 to 2100. Analysis of the biogeochemical impacts of land cover change in CCSM4 with the parameters found the model produced an historical cumulative land use flux of 148.4 PgC from 1850 to 2005, which was in good agreement with other global estimates of around 156 PgC for the same period. The biogeophysical impacts of only applying the transient land cover change parameters in CCSM4 were cooling of the near surface atmospheric over land by -0.1OC, through increased surface albedo and reduced shortwave radiation absorption. When combined with other transient climate forcings, the higher albedo from land cover change was overwhelmed at global scales by decreases in snow albedo from black carbon deposition and from high latitude warming. At regional scales however the land cover change forcing persisted resulting in reduced warming, with the biggest impacts in eastern North America. The future CCSM4 RCP simulations showed that the CLM4 transient PFT and wood harvest parameters could be used to represent a wide range of human land cover change and land use scenarios. Furthermore, these simulations ranged from the RCP 4.5 reforestation scenario that was able to draw down 82.6 PgC from the atmosphere, to the RCP 8.5 wide scale deforestation scenario that released 171.6 PgC to the atmosphere.

54 ENVIRONMENTAL SCIENCES↗