Variational data assimilation for parameter estimation: application to a simple morphodynamic model

Data assimilation is a sophisticated mathematical technique for combining observational data with model predictions to produce state and parameter estimates that most accurately approximate the current and future states of the true system. The technique is commonly used in atmospheric and oceanic modelling, combining empirical observations with model predictions to produce more accurate and well-calibrated forecasts. Here, we consider a novel application within a coastal environment and describe how the method can also be used to deliver improved estimates of uncertain morphodynamic model parameters. This is achieved using a technique known as state augmentation. Earlier applications of state augmentation have typically employed the 4D-Var, Kalman filter or ensemble Kalman filter assimilation schemes. Our new method is based on a computationally inexpensive 3D-Var scheme, where the specification of the error covariance matrices is crucial for success. A simple 1D model of bed-form propagation is used to demonstrate the method. The scheme is capable of recovering near-perfect parameter values and, therefore, improves the capability of our model to predict future bathymetry. Such positive results suggest the potential for application to more complex morphodynamic models.

Parameter sensitivity and predictive uncertainty in a new water quality model, Q(2)

A new dynamic model of water quality, Q(2), has recently been developed, capable of simulating large branched river systems. This paper describes the application of a generalized sensitivity analysis (GSA) to Q(2) for single reaches of the River Thames in southern England. Focusing on the simulation of dissolved oxygen (DO) (since this may be regarded as a proxy for the overall health of a river); the GSA is used to identify key parameters controlling model behavior and provide a probabilistic procedure for model calibration. It is shown that, in the River Thames at least, it is more important to obtain high quality forcing functions than to obtain improved parameter estimates once approximate values have been estimated. Furthermore, there is a need to ensure reasonable simulation of a range of water quality determinands, since a focus only on DO increases predictive uncertainty in the DO simulations. The Q(2) model has been applied here to the River Thames, but it has a broad utility for evaluating other systems in Europe and around the world.

Searching for the perfect surface area normalizing term - a comparison of BET surface area-, geometric surface area- and mass-normalized dissolution rates of anorthite and biotite

Dissolution rates were calculated for a range of grain sizes of anorthite and biotite dissolved under far from equilibrium conditions at pH 3, T = 20 degrees C. Dissolution rates were normalized to initial and final BET surface area, geometric surface area, mass and (for biotite only) geometric edge surface area. Constant (within error) dissolution rates were only obtained by normalizing to initial BET surface area for biotite. The normalizing term that gave the smallest variation about the mean for anorthite was initial BET surface area. In field studies, only current (final) surface area is measurable. In this study, final geometric surface area gave the smallest variation for anorthite dissolution rates and final geometric edge surface area for biotite dissolution rates. (c) 2005 Published by Elsevier B.V.

The role of eddies in driving the tropospheric response to stratospheric heating perturbations

A simplified general circulation model has been used to investigate the chain of causality whereby changes in tropospheric circulation and temperature are produced in response to stratospheric heating perturbations. Spinup ensemble experiments have been performed to examine the evolution of the tropospheric circulation in response to such perturbations. The primary aim of these experiments is to investigate the possible mechanisms whereby a tropospheric response to changing solar activity over the 11-yr solar cycle could be produced in response to heating of the equatorial lower stratosphere. This study therefore focuses on a stratospheric heating perturbation in which the heating is largest in the tropics. For comparison, experiments are also performed in which the stratosphere is heated uniformly at all latitudes and in which it is heated preferentially in the polar region. Thus, the mechanisms discussed have a wider relevance for the impact of stratospheric perturbations on the troposphere. The results demonstrate the importance of changing eddy momentum fluxes in driving the tropospheric response. This is confirmed by the lack of a similar response in a zonally symmetric model with fixed eddy forcing. Furthermore, it is apparent that feedback between the tropospheric eddy fluxes and tropospheric circulation changes is required to produce the full model response. The quasigeostrophic index of refraction is used to diagnose the cause of the changes in eddy behavior. It is demonstrated that the latitudinal extent of stratospheric heating is important in determining the direction of displacement of the tropospheric jet and storm track.

The global response to tropical heating in the Madden-Julian oscillation during the northern winter

A life cycle of the Madden–Julian oscillation (MJO) was constructed, based on 21 years of outgoing long-wave radiation data. Regression maps of NCEP–NCAR reanalysis data for the northern winter show statistically significant upper-tropospheric equatorial wave patterns linked to the tropical convection anomalies, and extratropical wave patterns over the North Pacific, North America, the Atlantic, the Southern Ocean and South America. To assess the cause of the circulation anomalies, a global primitive-equation model was initialized with the observed three-dimensional (3D) winter climatological mean flow and forced with a time-dependent heat source derived from the observed MJO anomalies. A model MJO cycle was constructed from the global response to the heating, and both the tropical and extratropical circulation anomalies generally matched the observations well. The equatorial wave patterns are established in a few days, while it takes approximately two weeks for the extratropical patterns to appear. The model response is robust and insensitive to realistic changes in damping and basic state. The model tropical anomalies are consistent with a forced equatorial Rossby–Kelvin wave response to the tropical MJO heating, although it is shifted westward by approximately 20° longitude relative to observations. This may be due to a lack of damping processes (cumulus friction) in the regions of convective heating. Once this shift is accounted for, the extratropical response is consistent with theories of Rossby wave forcing and dispersion on the climatological flow, and the pattern correlation between the observed and modelled extratropical flow is up to 0.85. The observed tropical and extratropical wave patterns account for a significant fraction of the intraseasonal circulation variance, and this reproducibility as a response to tropical MJO convection has implications for global medium-range weather prediction. Copyright © 2004 Royal Meteorological Society

Parameter estimation using a particle method: inferring mixing coefficients from sea level observations

This paper presents a first attempt to estimate mixing parameters from sea level observations using a particle method based on importance sampling. The method is applied to an ensemble of 128 members of model simulations with a global ocean general circulation model of high complexity. Idealized twin experiments demonstrate that the method is able to accurately reconstruct mixing parameters from an observed mean sea level field when mixing is assumed to be spatially homogeneous. An experiment with inhomogeneous eddy coefficients fails because of the limited ensemble size. This is overcome by the introduction of local weighting, which is able to capture spatial variations in mixing qualitatively. As the sensitivity of sea level for variations in mixing is higher for low values of mixing coefficients, the method works relatively well in regions of low eddy activity.

The effects of environmental perturbation and measurement error on estimates of the shape parameter in the theta-logistic model of population regulation

The theta-logistic is a widely used generalisation of the logistic model of regulated biological processes which is used in particular to model population regulation. Then the parameter theta gives the shape of the relationship between per-capita population growth rate and population size. Estimation of theta from population counts is however subject to bias, particularly when there are measurement errors. Here we identify factors disposing towards accurate estimation of theta by simulation of populations regulated according to the theta-logistic model. Factors investigated were measurement error, environmental perturbation and length of time series. Large measurement errors bias estimates of theta towards zero. Where estimated theta is close to zero, the estimated annual return rate may help resolve whether this is due to bias. Environmental perturbations help yield unbiased estimates of theta. Where environmental perturbations are large, estimates of theta are likely to be reliable even when measurement errors are also large. By contrast where the environment is relatively constant, unbiased estimates of theta can only be obtained if populations are counted precisely Our results have practical conclusions for the design of long-term population surveys. Estimation of the precision of population counts would be valuable, and could be achieved in practice by repeating counts in at least some years. Increasing the length of time series beyond ten or 20 years yields only small benefits. if populations are measured with appropriate accuracy, given the level of environmental perturbation, unbiased estimates can be obtained from relatively short censuses. These conclusions are optimistic for estimation of theta. (C) 2008 Elsevier B.V All rights reserved.

Rapid, uncatalyzed ring-opening polymerization of individual macrocyclic poly(arylene thioether ketone)s under dynamic heating conditions

Uncatalyzed, ring-opening polymerization of individual macrocyclic poly(arylene thioether ketone)s (1-4) and mixtures (5) under dynamic heating conditions has been demonstrated for the first time. High-molecular-weight, film-forming products were obtained after heating of the macrocycles up to 480 degreesC, with a heating rate of 10-20 degreesC /min. Depending on the macrocyclic structure and heat treatment conditions, the polymers obtained were amorphous or semicrystalline, soluble or slightly crosslinked. NMR analyses of the soluble polymers revealed their linear, highly regular structure. According to NMR, DSC, and TGA studies, the polymers obtained do not contain any residual macrocycles. The polymers with thio-p-arylene moieties in the main chain were thermally stabile. The catalyzed ring opening polymerization of 5 carried out in diphenyl sulfone solution is also reported for comparison. Using quantum mechanical calculations of the ring opening of macrocycles, a reaction mechanism is suggested. Preparation of nanosized poly(thioether ketone) fibrils by a replication method is described.