Linear viscoelasticity from molecular dynamics simulation of entangled polymers

The linear viscoelastic (LVE) spectrum is one of the primary fingerprints of polymer solutions and melts, carrying information about most relaxation processes in the system. Many single chain theories and models start with predicting the LVE spectrum to validate their assumptions. However, until now, no reliable linear stress relaxation data were available from simulations of multichain systems. In this work, we propose a new efficient way to calculate a wide variety of correlation functions and mean-square displacements during simulations without significant additional CPU cost. Using this method, we calculate stress−stress autocorrelation functions for a simple bead−spring model of polymer melt for a wide range of chain lengths, densities, temperatures, and chain stiffnesses. The obtained stress−stress autocorrelation functions were compared with the single chain slip−spring model in order to obtain entanglement related parameters, such as the plateau modulus or the molecular weight between entanglements. Then, the dependence of the plateau modulus on the packing length is discussed. We have also identified three different contributions to the stress relaxation:  bond length relaxation, colloidal and polymeric. Their dependence on the density and the temperature is demonstrated for short unentangled systems without inertia.

Linear amplification of marginally neutral baroclinic waves

Baroclinic wave development is investigated for unstable parallel shear flows in the limit of vanishing normal-mode growth rate. This development is described in terms of the propagation and interaction mechanisms of two coherent structures, called counter-propagating Rossby waves (CRWs). It is shown that, in this limit of vanishing normal-mode growth rate, arbitrary initial conditions produce sustained linear amplification of the marginally neutral normal mode (mNM). This linear excitation of the mNM is subsequently interpreted in terms of a resonance phenomenon. Moreover, while the mathematical character of the normal-mode problem changes abruptly as the bifurcation point in the dispersion diagram is encountered and crossed, it is shown that from an initial-value viewpoint, this transition is smooth. Consequently, the resonance interpretation remains relevant (albeit for a finite time) for wavenumbers slightly different from the ones defining cut-off points. The results are further applied to a two-layer version of the classic Eady model in which the upper rigid lid has been replaced by a simple stratosphere.

Boundary value problems for third-order linear PDEs in time-dependent domains

We present the extension of a methodology to solve moving boundary value problems from the second-order case to the case of the third-order linear evolution PDE qt + qxxx = 0. This extension is the crucial step needed to generalize this methodology to PDEs of arbitrary order. The methodology is based on the derivation of inversion formulae for a class of integral transforms that generalize the Fourier transform and on the analysis of the global relation associated with the PDE. The study of this relation and its inversion using the appropriate generalized transform are the main elements of the proof of our results.

Decadal predictability of the Atlantic Ocean in a coupled GCM: forecast skill and optimal perturbations using Linear Inverse Modelling

The decadal predictability of three-dimensional Atlantic Ocean anomalies is examined in a coupled global climate model (HadCM3) using a Linear Inverse Modelling (LIM) approach. It is found that the evolution of temperature and salinity in the Atlantic, and the strength of the meridional overturning circulation (MOC), can be effectively described by a linear dynamical system forced by white noise. The forecasts produced using this linear model are more skillful than other reference forecasts for several decades. Furthermore, significant non-normal amplification is found under several different norms. The regions from which this growth occurs are found to be fairly shallow and located in the far North Atlantic. Initially, anomalies in the Nordic Seas impact the MOC, and the anomalies then grow to fill the entire Atlantic basin, especially at depth, over one to three decades. It is found that the structure of the optimal initial condition for amplification is sensitive to the norm employed, but the initial growth seems to be dominated by MOC-related basin scale changes, irrespective of the choice of norm. The consistent identification of the far North Atlantic as the most sensitive region for small perturbations suggests that additional observations in this region would be optimal for constraining decadal climate predictions.

Cropping systems, carbon sequestration and erosion in Brazil, a review

Soils represent a large carbon pool, approximately 1500 Gt, which is equivalent to almost three times the quantity stored in terrestrial biomass and twice the amount stored in the atmosphere. Any modification of land use or land management can induce variations in soil carbon stocks, even in agricultural systems that are perceived to be in a steady state. Tillage practices often induce soil aerobic conditions that are favourable to microbial activity and may lead to a degradation of soil structure. As a result, mineralisation of soil organic matter increases in the long term. The adoption of no-tillage systems and the maintenance of a permanent vegetation cover using Direct seeding Mulch-based Cropping system or DMC, may increase carbon levels in the topsoil. In Brazil, no-tillage practices (mainly DMC), were introduced approximately 30 years ago in the south in the Parana state, primarily as a means of reducing erosion. Subsequently, research has begun to study the management of the crop waste products and their effects on soil fertility, either in terms of phosphorus management, as a means of controlling soil acidity, or determining how manures can be applied in a more localised manner. The spread of no-till in Brazil has involved a large amount of extension work. The area under no-tillage is still increasing in the centre and north of the country and currently occupies ca. 20 million hectares, covering a diversity of environmental conditions, cropping systems and management practices. Most studies of Brazilian soils give rates of carbon storage in the top 40 cm of the soil of 0.4 to 1.7 t C ha(-1) per year, with the highest rates in the Cerrado region. However, caution must be taken when analysing DMC systems in terms of carbon sequestration. Comparisons should include changes in trace gas fluxes and should not be limited to a consideration of carbon storage in the soil alone if the full implications for global warming are to be assessed.

Autocyclic erosion in tidal marshes

A common mode whereby destruction of coastal lowlands occurs is frontal erosion. The edge cliffing, nonetheless, is also an inherent aspect of salt marsh development in many northwest European tidal marshes. Quite a few geomorphologists in the earlier half of the past century recognized such edge erosion as a definite repetitive stage within an autocyclic mode of marsh growth. A shift in research priorities during the past decades (primarily because of coastal management concerns, however) has resulted in an enhanced focus on sediment-flux measurement campaigns on salt marshes. This, somewhat "object-oriented" strategy hindered any further development of the once-established autocyclic growth concept, which virtually has gone into oblivion in recent times. This work makes an attempt to resurrect the notion of autocyclicity by employing its premises to address edge erosion in tidal marshes. Through a review of intertidal morphosedimentology the underlying framework for autocyclicity is envisaged. The phenomenon is demonstrated in the Holocene salt marsh plain of Moricambe basin in NW England that displays several distinct phases of marsh retreat in the form of abandoned clifflets. The suite of abandoned shorelines and terraces has been identified in detailed field mapping that followed analysis of topographic maps and aerial photographs. Vertical trends in marsh plain sediments are recorded in trenches for signs of past marsh front movements. The characteristic sea level history of the area offers an opportunity to differentiate the morphodynamic variability induced in the autocyclic growth of the marsh plain in scenarios of rising and falling sea level and the accompanied change in sediment budget. The ideas gathered are incorporated to construct a conceptual model that links temporal extent of marsh erosion to inner tidal flat sediment budget and sea level tendency. The review leads to recognition of the necessity of adopting an holistic approach in the morphodynamic investigations where marshes should be treated as a component within the "marsh-mudflat system" as each element apparently modulates evolution of the other, with an eventual linkage to subtidal channels. (C) 2009 Elsevier B.V. All rights reserved.

Linear Contributions of Different Time Scales to Teleconnectivity

The contributions of different time scales to extratropical teleconnections are examined. By applying empirical orthogonal functions and correlation analyses to reanalysis data, it is shown that eddies with periods shorter than 10 days have no linear contribution to teleconnectivity. Instead, synoptic variability follows wavelike patterns along the storm tracks, interpreted as propagating baroclinic disturbances. In agreement with preceding studies, it is found that teleconnections such as the North Atlantic Oscillation (NAO) and the Pacific–North America (PNA) pattern occur only at low frequencies, typically for periods more than 20 days. Low-frequency potential vorticity variability is shown to follow patterns analogous to known teleconnections but with shapes that differ considerably from them. It is concluded that the role, if any, of synoptic eddies in determining and forcing teleconnections needs to be sought in nonlinear interactions with the slower transients. The present results demonstrate that daily variability of teleconnection indices cannot be interpreted in terms of the teleconnection patterns, only the slow part of the variability.