Inter-comparison and performance evaluation of chemistry transport models over Indian region

Aerosol loading over the South Asian region has the potential to affect the monsoon rainfall, Himalayan glaciers and regional air-quality, with implications for the billions in this region. While field campaigns and network observations provide primary data, they tend to be location/season specific. Numerical models are useful to regionalize such location-specific data. Studies have shown that numerical models underestimate the aerosol scenario over the Indian region, mainly due to shortcomings related to meteorology and the emission inventories used. In this context, we have evaluated the performance of two such chemistry-transport models: WRF-Chem and SPRINTARS over an India-centric domain. The models differ in many aspects including physical domain, horizontal resolution, meteorological forcing and so on etc. Despite these differences, both the models simulated similar spatial patterns of Black Carbon (BC) mass concentration, (with a spatial correlation of 0.9 with each other), and a reasonable estimates of its concentration, though both of them under-estimated vis-a-vis the observations. While the emissions are lower (higher) in SPRINTARS (WRF-Chem), overestimation of wind parameters in WRF-Chem caused the concentration to be similar in both models. Additionally, we quantified the under-estimations of anthropogenic BC emissions in the inventories used these two models and three other widely used emission inventories. Our analysis indicates that all these emission inventories underestimate the emissions of BC over India by a factor that ranges from 1.5 to 2.9. We have also studied the model simulations of aerosol optical depth over the Indian region. The models differ significantly in simulations of AOD, with WRF-Chem having a better agreement with satellite observations of AOD as far as the spatial pattern is concerned. It is important to note that in addition to BC, dust can also contribute significantly to AOD. The models differ in simulations of the spatial pattern of mineral dust over the Indian region. We find that both meteorological forcing and emission formulation contribute to these differences. Since AOD is column integrated parameter, description of vertical profiles in both models, especially since elevated aerosol layers are often observed over Indian region, could be also a contributing factor. Additionally, differences in the prescription of the optical properties of BC between the models appear to affect the AOD simulations. We also compared simulation of sea-salt concentration in the two models and found that WRF-Chem underestimated its concentration vis-a-vis SPRINTARS. The differences in near-surface oceanic wind speeds appear to be the main source of this difference. In-spite of these differences, we note that there are similarities in their simulation of spatial patterns of various aerosol species (with each other and with observations) and hence models could be valuable tools for aerosol-related studies over the Indian region. Better estimation of emission inventories could improve aerosol-related simulations. (C) 2015 Elsevier Ltd. All rights reserved.

Computationally efficient models for simulation of non-ideal DC-DC converters operating in continuous and discontinuous conduction modes

This paper discusses dynamic modeling of non-isolated DC-DC converters (buck, boost and buck-boost) under continuous and discontinuous modes of operation. Three types of models are presented for each converter, namely, switching model, average model and harmonic model. These models include significant non-idealities of the converters. The switching model gives the instantaneous currents and voltages of the converter. The average model provides the ripple-free currents and voltages, averaged over a switching cycle. The harmonic model gives the peak to peak values of ripple in currents and voltages. The validity of all these models is established by comparing the simulation results with the experimental results from laboratory prototypes, at different steady state and transient conditions. Simulation based on a combination of average and harmonic models is shown to provide all relevant information as obtained from the switching model, while consuming less computation time than the latter.

Polaronic correction to the first excited electronic energy level in an anisotropic semiconductor quantum dot

Within the framework of second-order Rayleigh-Schrodinger perturbation theory, the polaronic correction to the first excited state energy of an electron in an quantum dot with anisotropic parabolic confinements is presented. Compared with isotropic confinements, anisotropic confinements will make the degeneracy of the excited states to be totally or partly lifted. On the basis of a three-dimensional Frohlich's Hamiltonian with anisotropic confinements, the first excited state properties in two-dimensional quantum dots as well as quantum wells and wires can also be easily obtained by taking special limits. Calculations show that the first excited polaronic effect can be considerable in small quantum dots.

A model for energy and morphology of crystalline grain boundaries with arbitrary geometric character

It has been well-established that interfaces in crystalline materials are key players in the mechanics of a variety of mesoscopic processes such as solidification, recrystallization, grain boundary migration, and severe plastic deformation. In particular, interfaces with complex morphologies have been observed to play a crucial role in many micromechanical phenomena such as grain boundary migration, stability, and twinning. Interfaces are a unique type of material defect in that they demonstrate a breadth of behavior and characteristics eluding simplified descriptions. Indeed, modeling the complex and diverse behavior of interfaces is still an active area of research, and to the author's knowledge there are as yet no predictive models for the energy and morphology of interfaces with arbitrary character. The aim of this thesis is to develop a novel model for interface energy and morphology that i) provides accurate results (especially regarding "energy cusp" locations) for interfaces with arbitrary character, ii) depends on a small set of material parameters, and iii) is fast enough to incorporate into large scale simulations.

In the first half of the work, a model for planar, immiscible grain boundary is formulated. By building on the assumption that anisotropic grain boundary energetics are dominated by geometry and crystallography, a construction on lattice density functions (referred to as "covariance") is introduced that provides a geometric measure of the order of an interface. Covariance forms the basis for a fully general model of the energy of a planar interface, and it is demonstrated by comparison with a wide selection of molecular dynamics energy data for FCC and BCC tilt and twist boundaries that the model accurately reproduces the energy landscape using only three material parameters. It is observed that the planar constraint on the model is, in some cases, over-restrictive; this motivates an extension of the model.

In the second half of the work, the theory of faceting in interfaces is developed and applied to the planar interface model for grain boundaries. Building on previous work in mathematics and materials science, an algorithm is formulated that returns the minimal possible energy attainable by relaxation and the corresponding relaxed morphology for a given planar energy model. It is shown that the relaxation significantly improves the energy results of the planar covariance model for FCC and BCC tilt and twist boundaries. The ability of the model to accurately predict faceting patterns is demonstrated by comparison to molecular dynamics energy data and experimental morphological observation for asymmetric tilt grain boundaries. It is also demonstrated that by varying the temperature in the planar covariance model, it is possible to reproduce a priori the experimentally observed effects of temperature on facet formation.

Finally, the range and scope of the covariance and relaxation models, having been demonstrated by means of extensive MD and experimental comparison, future applications and implementations of the model are explored.

Age and growth of spiny dogfish (Squalus acanthias) in the Gulf of Alaska: analysis of alternative growth models

Ten growth models were fitted to age and growth data for spiny dogfish (Squalus acanthias) in the Gulf of Alaska. Previous studies of spiny dogfish growth have all fitted the t0 formulation of the von Bertalanffy model without examination of alternative models. Among the alternatives, we present a new two-phase von Bertalanffy growth model formulation with a logistically scaled k parameter and which estimates L0. A total of 1602 dogfish were aged from opportunistic collections with longline, rod and reel, set net, and trawling gear in the eastern and central Gulf of Alaska between 2004 and 2007. Ages were estimated from the median band count of three independent readings of the second dorsal spine plus the estimated number of worn bands for worn spines. Owing to a lack of small dogfish in the samples, lengths at age of small individuals were back-calculated from a subsample of 153 dogfish with unworn spines. The von Bertalanffy, two-parameter von Bertalanffy, two-phase von Bertalanffy, Gompertz, two-parameter Gompertz, and logistic models were fitted to length-at-age data for each sex separately, both with and without back-calculated lengths at age. The two-phase von Bertalanffy growth model produced the statistically best fit for both sexes of Gulf of Alaska spiny dogfish, resulting in L∞ = 87.2 and 102.5 cm and k= 0.106 and 0.058 for males and females, respectively.

VTI各向异性叠前深度偏移及速度分析

Theoretical research, laboratory test and field observation show that most of sediment rock has anisotropic features. It will produce some notable errors when applying isotropic methods such as prestack depth migration and velocity analysis to dada acquired under anisotropic condition; it also has a bad effect on geologic interpretation. Generally speaking, the vertical transverse isotropic media is a good approximation to geologic structure, thus it has an important realistic meaning for anisotropic prestack depth migration theory researching and precise complex geologic imaging if considering anisotropic effect of seismic wave propagation. There are two indispensable parts in prestack depth migration of realistic records, one is proper prestack depth migration algorithm, and the other is velocity analysis using prestack seismic data. The paper consists of the two aspects. Based on implicit finite difference research proposed by Dietrich Ristow et al （1997） about VTI media prestack depth migration, the paper proposed split-step Fourier prestack depth migration algorithm （VTISSF） and Fourier finite difference algorithm （VTIFFD） based on wave equation for VTI media, program are designed and the depth migration method are tested using synthetic model. The result shows that VTISSF is a stable algorithm, it generally gets a good result if the reflector dip is not very steep, while undermigration phenomena appeared in steep dips case; the VTIFFD algorithm bring us better result in steep dips with lower efficiency and frequency dispersion. For anisotropic prestack depth migration velocity analysis of VTI media, The paper discussed the basic hypothesis of VTI model in velocity analysis algorithm, basis of anisotropic prestack depth migration velocity analysis and travel time table calculation of VTI media in integral prestack depth migration. Then , analyzed the P-wave common imaging gather in the case of homogeneous velocity and vertically variable velocity . studied the residual correction in common imaging gather produced by media parameter error, analyzed the condition of flat event and correct depth in common imaging gather . In this case, the anisotropic model parameter vector is , is vertical velocity of a point at top surface, is vertical velocity gradient, and are anisotropic parameter. We can get vertical velocity gradient from seismic data; then the P-wave common imaging gather of VTI media whose velocity varies in vertical and horizontal direction, the relationship between media parameter and event residual time shift of common image gather are studied. We got the condition of flattening common imaging gather with correct depth. In this case the anisotropic model parameter vector is , is velocity gradient in horizontal direction. As a result, the vertical velocity grads can be decided uniquely, but horizontal velocity grads and anisotropic parameter can’t be distinguished if no priori information available, our method is to supply parameter by velocity scanning; then, as soon as is supplied we can get another four parameters of VTI media from seismic data. Based on above analysis, the paper discussed the feasibility of migration velocity analysis in vertically and horizontally varied VTI media, synthetic record of three models are used to test the velocity analysis method . Firstly, anisotropic velocity analysis test is done using a simple model with one block, then we used a model with multiple blocks, thirdly, we analyzed the anisotropic velocity using a part of Marmousi model. The model results show that this velocity analysis method is feasible and correct.

地球介质非线性与各向异性的地震波响应及其成像效应

The practice of geophysical prospecting shows us the complex interior earth. The studies of the complexity play an important role and practical guide for the subsurface structure. At present, the complexity of the earth mainly means lateral and vertical homogeneity, anisotropy and non-linear quality. And the anisotropy and non-linear media studies become the frontier in seismology and exploration seismology. This paper summarizes the development of complexities and presents the forward and inverse in the non-linear and anisotropic media. Firstly, the paper introduces the theory of seismic wave propagation in the non-linear and anisotropic media, the theoretical basis for simulation and inversion research. Secondly, high quality numerical simulation method with little dispersion has been developed to investigate the influence of complexity including anisotropy and non-linear multi-component seismograms. Because most real data in seismology have a single component, we developed two aspects work on anisotropic multi-component imaging. One is prestack reflection migration. The result show that distorted images are obtained if data from anisotropic media are migrated using isotropic extrapolation. Moreover, image quality will be improved greatly after considering anisotropy in subsurface layers. The other one is the we take advantage of multi-component data to inversion of the anisotropic parameters jointly seimic reflection travel time and polarization information. Based on these research works, we get the following results: 1.Combing numerical simulation, systematical studies indicate that anisotropy and non-linear seismograms characters are significant to detect cracked belts in the earth and to understand deformation field and mechanism. 2.Based on anisotropic media models, we developed an efficient prestack migration method for subsurface structure and different observation methods seismic data, which improving the imaging quality with VSP, seismograms and real data. 3.Jointly seismic inversion combining seismic anisotropic reflection traveltimes and polarizations data show that the complete wrong inversion and the following explanation will be resulted by ignoring anisotropy.

Switching Between Discrete and Continuous Process Models to Predict Molecular Genetic Activity

Two kinds of process models have been used in programs that reason about change: Discrete and continuous models. We describe the design and implementation of a qualitative simulator, PEPTIDE, which uses both kinds of process models to predict the behavior of molecular energetic systems. The program uses a discrete process model to simulate both situations involving abrupt changes in quantities and the actions of small numbers of molecules. It uses a continuous process model to predict gradual changes in quantities. A novel technique, called aggregation, allows the simulator to switch between theses models through the recognition and summary of cycles. The flexibility of PEPTIDE's aggregator allows the program to detect cycles within cycles and predict the behavior of complex situations.

A comparison of dimensional models of emotion: evidence from emotions, prototypical events, autobiographical memories, and words.

The intensity and valence of 30 emotion terms, 30 events typical of those emotions, and 30 autobiographical memories cued by those emotions were each rated by different groups of 40 undergraduates. A vector model gave a consistently better account of the data than a circumplex model, both overall and in the absence of high-intensity, neutral valence stimuli. The Positive Activation - Negative Activation (PANA) model could be tested at high levels of activation, where it is identical to the vector model. The results replicated when ratings of arousal were used instead of ratings of intensity for the events and autobiographical memories. A reanalysis of word norms gave further support for the vector and PANA models by demonstrating that neutral valence, high-arousal ratings resulted from the averaging of individual positive and negative valence ratings. Thus, compared to a circumplex model, vector and PANA models provided overall better fits.

Demonstration thermo-electric and MHD mathematical models of a 500 kA A1 electrolysis cell

In the present study, a 3D full cell quarter thermo-electric model of a 500kA demonstration cell has been developed and solved. In parallel, a non-linear wave MHD model of the same 500 kA demonstration cell has been developed and solved. A preliminary study of the impact of the interactions between the cell thermo-electric and MHD models will be presented.

Willingness to Pay for Rural Landscape Improvements: Combining Mixed Logit and Random-Effects Models

This paper reports the findings from a discrete-choice experiment designed to estimate the economic benefits associated with rural landscape improvements in Ireland. Using a mixed logit model, the panel nature of the dataset is exploited to retrieve willingness-to-pay values for every individual in the sample. This departs from customary approaches in which the willingness-to-pay estimates are normally expressed as measures of central tendency of an a priori distribution. Random-effects models for panel data are subsequently used to identify the determinants of the individual-specific willingness-to-pay estimates. In comparison with the standard methods used to incorporate individual-specific variables into the analysis of discrete-choice experiments, the analytical approach outlined in this paper is shown to add considerable explanatory power to the welfare estimates.

Influence of compaction procedure on the mechanical behaviour of an unsaturated compacted clay. Part 2: shearing and constitutive modelling

The influence of compaction pressure, compaction water content and type of compaction (static or dynamic) on subsequent soil behaviour was investigated by conducting controlled-suction triaxial tests on samples of unsaturated compacted speswhite kaolin. Compaction pressure influences initial state, by determining the initial position of the yield surface, thus affecting, among other things, the shape of stress–strain curves during shearing. Compaction pressure also influences, to a limited degree, the positions of the normal compression lines for different values of suction, but it has no effect on critical state relationships. The effect of compaction pressure can probably be modelled solely in terms of initial state if an anisotropic elastoplastic model incorporating rotational hardening is employed, whereas the parameters defining the slopes and intercepts of the normal compression lines for different values of suction require adjustment with variation of compaction pressure if a conventional isotropic hardening elastoplastic model is employed. Compaction water content influences the initial suction, but also has a substantial influence on normal compression lines and a noticeable effect on the volumetric behaviour at critical states. It is likely that soil samples compacted at different water contents will have to be modelled as different materials, irrespective of whether an isotropic or anisotropic hardening elastoplastic model is employed. A change from static to dynamic compaction has no significant effect on subsequent behaviour.

CoMFA and homology-based models of the glycine binding site of N-methyl-D-aspartate receptor

Homology modeling was used to build 3D models of the N-methyl-D-aspartate (NMDA) receptor glycine binding site on the basis of an X-ray structure of the water-soluble AMPA-sensitive receptor. The docking of agonists and antagonists to these models was used to reveal binding modes of ligands and to explain known structure-activity relationships. Two types of quantitative models, 3D-QSAR/CoMFA and a regression model based on docking energies, were built for antagonists (derivatives of 4-hydroxy-2-quinolone, quinoxaline-2,3-dione, and related compounds). The CoMFA steric and electrostatic maps were superimposed on the homology-based model, and a close correspondence was marked. The derived computational models have permitted the evaluation of the structural features crucial for high glycine binding site affinity and are important for the design of new ligands.

The alterations of Ca2+/Calmodulin/CaMKII/CaV1.2 signaling in experimental models of Alzheimer's disease and vascular dementia

The two critical forms of dementia are Alzheimer's disease (AD) and vascular dementia (VD).The alterations of Ca2+/calmodulin/CaMKII/CaV1.2 signaling in AD and VD have not been well elucidated. Here we have demonstrated changes in the levels of CaV1.2, calmodulin, p-CaMKII, p-CREB and BDNF proteins by Western blot analysis and the co-localization of p-CaMKII/CaV1.2 by double-labeling immunofluorescence in the hippocampus of APP/PS1 mice and VD gerbils. Additionally, expression of these proteins and intracellular calcium levels were examined in cultured neurons treated with Aß1–42. The expression of CaV1.2 protein was increased in VD gerbils and in cultured neurons but decreased in APP/PS1 mice; the expression of calmodulin protein was increased in APP/PS1 mice and VD gerbils; levels of p-CaMKII, p-CREB and BDNF proteins were decreased in AD and VD models. The number of neurons in which p-CaMKII and CaV1.2 were co-localized, was decreased in the CA1 and CA3 regions in two models. Intracellular calcium was increased in the cultured neurons treated with Aß1–42. Collectively, our results suggest that the alterations in CaV1.2, calmodulin, p-CaMKII, p-CREB and BDNF can be reflective of an involvement in the impairment in memory and cognition in AD and VD models.

Accurate and Efficient Modelling to Calculate the Voltage Dependence of Liquid Crystal Based Reflectarray Cells

Two models that can predict the voltage-dependent scattering from liquid crystal (LC)-based reflectarray cells are presented. The validity of both numerical techniques is demonstrated using measured results in the frequency range 94-110 GHz. The most rigorous approach models, for each voltage, the inhomogeneous and anisotropic permittivity of the LC as a stratified media in the direction of the biasing field. This accounts for the different tilt angles of the LC molecules inside the cell calculated from the solution of the elastic problem. The other model is based on an effective homogeneous permittivity tensor that corresponds to the average tilt angle along the longitudinal direction for each biasing voltage. In this model, convergence problems associated with the longitudinal inhomogeneity are avoided, and the computation efficiency is improved. Both models provide a correspondence between the reflection coefficient (losses and phase-shift) of the LC-based reflectarray cell and the value of biasing voltage, which can be used to design beam scanning reflectarrays. The accuracy and the efficiency of both models are also analyzed and discussed.