Conservation Properties of the Trapezoidal Rule in Linear Time Domain Analysis of Acoustics and Structures

The trapezoidal rule, which is a special case of the Newmark family of algorithms, is one of the most widely used methods for transient hyperbolic problems. In this work, we show that this rule conserves linear and angular momenta and energy in the case of undamped linear elastodynamics problems, and an ``energy-like measure'' in the case of undamped acoustic problems. These conservation properties, thus, provide a rational basis for using this algorithm. In linear elastodynamics problems, variants of the trapezoidal rule that incorporate ``high-frequency'' dissipation are often used, since the higher frequencies, which are not approximated properly by the standard displacement-based approach, often result in unphysical behavior. Instead of modifying the trapezoidal algorithm, we propose using a hybrid finite element framework for constructing the stiffness matrix. Hybrid finite elements, which are based on a two-field variational formulation involving displacement and stresses, are known to approximate the eigenvalues much more accurately than the standard displacement-based approach, thereby either bypassing or reducing the need for high-frequency dissipation. We show this by means of several examples, where we compare the numerical solutions obtained using the displacement-based and hybrid approaches against analytical solutions.

Ab Initio MD Simulations of the Bronsted Acidity of Glutathione in Aqueous Solutions: Predicting pK(a) Shifts of the Cysteine Residue

The tripeptide glutathione (GSH) is one of the most abundant peptides and the major repository for nonprotein sulfur in both animal and plant cells. It plays a critical role in intracellular oxidative stress management by the reversible formation of glutathione disulfide with the thiol-disulfide pair acting as a redox buffer. The state of charge of the ionizable groups of GSH can influence the redox couple, and hence the pK(a) value of the cysteine residue of GSH is critical to its functioning. Here we report ab initio Car-Parrinello molecular dynamics simulations of glutathione solvated by 200 water molecules, all of which are considered in the simulation. We show that the free-energy landscape for the protonation-deprotonation reaction of the cysteine residue of GSH computed using metadynamics sampling provides shift in the dissociation constant values as compared with the isolated accurate estimates of the pK(a) and correctly predicts the cysteine amino acid.

Prediction of Indian rainfall during the summer monsoon season on the basis of links with equatorial Pacific and Indian Ocean climate indices

Interannual variation of Indian summer monsoon rainfall (ISMR) is linked to El Nino-Southern oscillation (ENSO) as well as the Equatorial Indian Ocean oscillation (EQUINOO) with the link with the seasonal value of the ENSO index being stronger than that with the EQUINOO index. We show that the variation of a composite index determined through bivariate analysis, explains 54% of ISMR variance, suggesting a strong dependence of the skill of monsoon prediction on the skill of prediction of ENSO and EQUINOO. We explored the possibility of prediction of the Indian rainfall during the summer monsoon season on the basis of prior values of the indices. We find that such predictions are possible for July-September rainfall on the basis of June indices and for August-September rainfall based on the July indices. This will be a useful input for second and later stage forecasts made after the commencement of the monsoon season.

A family of interesting exact solutions of the sine-Gordon equation

By using AKNS [Phys. Rev. Lett. 31 (1973) 125] system and introducing the wave function, a family of interesting exact solutions of the sine-Gordon equation are constructed. These solutions seem to be some soliton, kink, and anti-kink ones respectively for the different choice of the spectrum, whereas due to the interaction between two traveling-waves they have some properties different from usual soliton, kink, and anti-kink solutions.

User’s Guide to ADMB2R: A Set of AD Model Builder Output Routines Compatible with the R Statistics Language

ADMB2R is a collection of AD Model Builder routines for saving complex data structures into a file that can be read in the R statistics environment with a single command.1 ADMB2R provides both the means to transfer data structures significantly more complex than simple tables, and an archive mechanism to store data for future reference. We developed this software because we write and run computationally intensive numerical models in Fortran, C++, and AD Model Builder. We then analyse results with R. We desired to automate data transfer to speed diagnostics during working-group meetings. We thus developed the ADMB2R interface to write an R data object (of type list) to a plain-text file. The master list can contain any number of matrices, values, dataframes, vectors or lists, all of which can be read into R with a single call to the dget function. This allows easy transfer of structured data from compiled models to R. Having the capacity to transfer model data, metadata, and results has sharply reduced the time spent on diagnostics, and at the same time, our diagnostic capabilities have improved tremendously. The simplicity of this interface and the capabilities of R have enabled us to automate graph and table creation for formal reports. Finally, the persistent storage in files makes it easier to treat model results in analyses or meta-analyses devised months—or even years—later. We offer ADMB2R to others in the hope that they will find it useful. (PDF contains 30 pages)

User’s Guide to C2R: A Set of C Language Output Routines Compatible with the R Statistics Language

C2R is a collection of C routines for saving complex data structures into a file that can be read in the R statistics environment with a single command.1 C2R provides both the means to transfer data structures significantly more complex than simple tables, and an archive mechanism to store data for future reference. We developed this software because we write and run computationally intensive numerical models in Fortran, C++, and AD Model Builder. We then analyse results with R. We desired to automate data transfer to speed diagnostics during working-group meetings. We thus developed the C2R interface to write an R data object (of type list) to a plain-text file. The master list can contain any number of matrices, values, dataframes, vectors or lists, all of which can be read into R with a single call to the dget function. This allows easy transfer of structured data from compiled models to R. Having the capacity to transfer model data, metadata, and results has sharply reduced the time spent on diagnostics, and at the same time, our diagnostic capabilities have improved tremendously. The simplicity of this interface and the capabilities of R have enabled us to automate graph and table creation for formal reports. Finally, the persistent storage in files makes it easier to treat model results in analyses or meta-analyses devised months—or even years—later. We offer C2R to others in the hope that they will find it useful. (PDF contains 27 pages)

The ecological basis of fishery yield of the Puerto Rico-Virgin Islands Insular Shelf: 1987 Assessment

A literature review was conducted to locate information on the flow of energy from primary producers to the fishery stocks of the Puerto Rican-Virgin Islands insular shelf. This report uses site-specific information to describe the major ecological subsystems, or habitats, of the region, to identify the more common species and the subsystems in which they occur, to quantify productivity and biomass, and to outline trophic relationships. Discussions on each topic and subsystem vary in substance and detail, being limited by the availability and accessibility of information. (PDF contains 189 pages) Seven distinct subsystems are described: mangrove estuary, seagrass bed, coral reef, algal plain, sand/mud bottom, shelf break, and overlying pelagic. Over 50 tables provide lists of species found in each habitat on various surveys dating back to 1956. Estimates of density, relative abundance, and productivity are provided when possible. We evaluated whether sufficient information exists to support an analysis of the energy basis of fishery production in the area, beginning with the design and development of an ecosystem model. Data needs in three categories - species lists, biomass, and trophic relations - were examined for each subsystem and for each of three species groups - primary producers, invertebrates, and fish. We concluded that adequate data, sufficient for modeling purposes, are available in 16 (25%) of 64 categories; limited data, those requiring greater extrapolation, are available in 35 (55%) categories; and no data are available in 13 (20%) categories. The best-studied subsystems are seagrass beds and coral reefs, with at least limited data in all categories. Invertebrates, the intermediate link in the food web between primary producers and fishes, are the least quantified group in the region. Primary production and fishes, however, are relatively well-studied, providing sufficient data to support an ecosystem-level analysis and to initiate a modeling effort.

First Biennial Ocean Climate Summit: Finding Solutions for San Francisco Bay Area’s Coast and Ocean. Proceedings of the Summit: April 29, 2008, Golden Gate Club, The Presidio San Francisco, California

Executive Summary: The marine environment plays a critical role in the amount of carbon dioxide (CO2) that remains within Earth’s atmosphere, but has not received as much attention as the terrestrial environment when it comes to climate change discussions, programs, and plans for action. It is now apparent that the oceans have begun to reach a state of CO2 saturation, no longer maintaining the “steady-state” carbon cycle that existed prior to the Industrial Revolution. The increasing amount of CO2 present within the oceans and the atmosphere has an effect on climate and a cascading effect on the marine environment. Potential physical effects of climate change within the marine environment, including ocean acidification, changes in wind and upwelling regimes, increasing global sea surface temperatures, and sea level rise, can lead to dramatic, fundamental changes within marine and coastal ecosystems. Altered ecosystems can result in changing coastal economies through a reduction in marine ecosystem services such as commercial fish stocks and coastal tourism. Local impacts from climate change should be a front line issue for natural resource managers, but they often feel too overwhelmed by the magnitude of this issue to begin to take action. They may not feel they have the time, funding, or staff to take on a challenge as large as climate change and continue to not act as a result. Already, natural resource managers work to balance the needs of humans and the economy with ecosystem biodiversity and resilience. Responsible decisions are made each day that consider a wide variety of stakeholders, including community members, agencies, non-profit organizations, and business/industry. The issue of climate change must be approached as a collaborative effort, one that natural resource managers can facilitate by balancing human demands with healthy ecosystem function through research and monitoring, education and outreach, and policy reform. The Scientific Expert Group on Climate Change in their 2007 report titled, “Confronting Climate Change: Avoiding the Unmanageable and Managing the Unavoidable” charged governments around the world with developing strategies to “adapt to ongoing and future changes in climate change by integrating the implications of climate change into resource management and infrastructure development”. Resource managers must make future management decisions within an uncertain and changing climate based on both physical and biological ecosystem response to climate change and human perception of and response to the issue. Climate change is the biggest threat facing any protected area today and resource managers must lead the charge in addressing this threat. (PDF has 59 pages.)

Population dynamics of the skipjack tuna (Katsuwonus pelamis) of the Eastern Pacific Ocean

ENGLISH: Catches of skipjack tuna supporting major fisheries in parts of the western, central and eastern Pacific Ocean have increased in recent years; thus, it is important to examine the dynamics of the fishery to determine man's effect on the abundance of the stocks. A general linear hypothesis model was developed to standardize fishing effort to a single vessel size and gear type. Standardized effort was then used to compute an index of abundance which accounts for seasonal variability in the fishing area. The indices of abundance were highly variable from year to year in both the northern and southern areas of the fishery but indicated a generally higher abundance in the south. Data from 438 fish tagged and recovered in the eastern Pacific Ocean were used to compute growth curves. A least-squares technique was used to estimate the parameters of the von Bertalanffy growth function. Two estimates of the parameters were made by analyzing the same data in different ways. For the first set of estimates, K= 0.819 on an annual instantaneous basis and L= 729 mm; for the second, K = 0.431 and L=881. These compared well with estimates derived using the Chapman-Richards growth function, which includes the von Bertalanffy function as a special case. It was concluded that the latter function provided an adequate empirical fit to the skipjack data since the more complicated function did not significantly improve the fit. Tagging data from three cruises involving 8852 releases and 1777 returns were used to compute mortality rates during the time the fish were in the fishery. Two models were used in the analyses. The best estimates of the catchability coefficient (q) in the north and south were 8.4 X 10- 4 and 5.0 X 10- 5 respectively. The other loss rate (X), which included losses due to emigration, natural mortality and mortality due to carrying a tag, was 0.14 on an annual instantaneous basis for both areas. To detect the possible effect of fishing on abundance and total yield, the relation between abundance and effort and between total catch and effort was examined. It was found that at levels of intensity observed in the fishery, fishing does not appear to have had any measurable effect on the stocks. It was concluded therefore that the total catch could probably be increased by substantially increasing total effort beyond the present level, and that the fluctuations in abundance are fishery-independent. The estimates of growth, mortality and fishing effort were used to compute yield-per-recruitment isopleths for skipjack in both the northern and southern areas. For a size at first entry of about 425 mm, the yield per recruitment was calculated at 3 pounds in the north and 1.5 pounds in the south. In both areas it would be possible to increase the yield per recruitment by increasing fishing effort. It was not possible to assess potential production of the skipjack stocks fished in the eastern Pacific, except to note that the fishery had not affected their abundance and that they were certainly under-exploited. It was concluded that the northern and southern stocks could support increased harvests, especially the latter. SPANISH: Las capturas de atún barrilete que sostienen las pesquerías principales de la parte occidental, central y oriental del Océano Pacífico han aumentado en los últimos años; así que es importante examinar la dinámica de la pesquería para determinar el efecto que pueda tener sobre la abundancia de los stocks. Se desarrolló un modelo hipotético, lineal para standardizar el esfuerzo de pesca a un solo tamaño de barco y tipo de arte. Luego se usó el esfuerzo standardizado para computar un índice de la abundancia que pueda dar razón de la variabilidad estacional en el área de pesca. Los índices de la abundancia variaron mucho de un año a otro tanto en el área septentrional como en el área meridional de la pesquería, pero indicaron una abundancia generalmente superior en el sur. Se emplearon los datos de 438 peces marcados y recuperados en el Océano Pacífico oriental para computar las curvas de crecimiento. Una técnica de mínimos cuadrados fue usada para estimar los parámetros de la función de crecimiento de van Bertalanffy. Se hicieron dos estimativos de los parámetros mediante el análisis de los mismos datos, de diferente manera. Para el primer juego de estimativos, K=0.819 sobre una base anual instantánea y L∞=729 mm; para el segundo, K=0.431 y L∞=881. Estos se correlacionaron bien con los estimativos obtenidos usando la función de crecimiento de Chapman-Richards, que incluye la de von Bertalanffy como un caso especial. Se decidió que la última función proveía un ajuste empírico, adecuado a los datos del barrilete, ya que la función más complicada no mejoró significativamente el ajuste. Los datos de marcación de tres cruceros incluyendo 8852 liberaciones y 1777 retornos, fueron usados para computar las tasas de mortalidad durante el tiempo en que los peces estuvieron en la pesquería. Se usaron dos modelos en los análisis. Los mejores estimativos del coeficiente de capturabilidad (q) en el norte y en el sur fueron 8.4 X 10-4 y 5.0 X 10-5 , respectivamente. La otra tasa de pérdida (X), la cual incluyó pérdidas debidas a la emigración, mortalidad natural y mortalidad debida a llevar una marca, fue 0.14 sobre una base anual instantánea para las dos áreas. Con el fin de descubrir el efecto que posiblemente pueda tener la pesca sobre la abundancia y el rendimiento total, se examinó la relación entre la abundancia y el esfuerzo y entre la captura total y el esfuerzo. Se encontró que a los niveles de la intensidad observada en la pesquería, la pesca no parece haber tenido ningún efecto perceptible en los stocks. Por lo tanto se decidió que mediante un aumento substancial del esfuerzo total, más allá del nivel actual, la captura total probablemente podría aumentarse, y que las fluctuaciones de la abundancia son independientes de la pesquería. Los estimativos del crecimiento, mortalidad y esfuerzo de pesca fueron usados para computar las isopletas del rendimiento por recluta del barrilete, tanto en las áreas del norte como del sur. Para una talla de primera entrada de unos 425 mm, el rendimiento por recluta fue calculado en 3 libras en el norte y 1.5 libras en el sur. En ambas áreas sería posible aumentar el rendimiento por recluta mediante un aumento del esfuerzo de pesca. No fue posible determinar la producción potencial de los stocks del barrilete pescado en el Pacífico oriental, excepto para observar que la pesquería no ha afectado su abundancia y que ciertamente se encuentran subexplotados. Se concluyó que los stocks norte y sur pueden soportar un aumento en el rendimiento, especialmente este último. (PDF contains 274 pages.)

The stability of traveling wave solutions of parabolic equations

A method for determining by inspection the stability or instability of any solution u(t,x) = ɸ(x-ct) of any smooth equation of the form u_t = f(u_(xx),u_x,u where ∂/∂a f(a,b,c) > 0 for all arguments a,b,c, is developed. The connection between the mean wavespeed of solutions u(t,x) and their initial conditions u(0,x) is also explored. The mean wavespeed results and some of the stability results are then extended to include equations which contain integrals and also to include some special systems of equations. The results are applied to several physical examples.

Theoretical and experimental investigations of the flocculation of charged particles in aqueous solutions by polyelectrolytes of opposite charge

An electrostatic mechanism for the flocculation of charged particles by polyelectrolytes of opposite charge is proposed. The difference between this and previous electrostatic coagulation mechanisms is the formation of charged polyion patches on the oppositely charged surfaces. The size of a patch is primarily a function of polymer molecular weight and the total patch area is a function of the amount of polymer adsorbed. The theoretical predictions of the model agree with the experimental dependence of the polymer dose required for flocculation on polymer molecular weight and solution ionic strength.

A theoretical analysis based on the Derjaguin-Landau, Verwey- Overbeek electrical double layer theory and statistical mechanical treatments of adsorbed polymer configurations indicates that flocculation of charged particles in aqueous solutions by polyelectrolytes of opposite charge does not occur by the commonly accepted polymerbridge mechanism.

A series of 1, 2-dimethyl-5 -vinylpyridinium bromide polymers with a molecular weight range of 6x10^3 to 5x10^6 was synthesized and used to flocculate dilute polystyrene latex and silica suspensions in solutions of various ionic strengths. It was found that with high molecular weight polymers and/or high ionic strengths the polymer dose required for flocculation is independent of molecular weight. With low molecular weights and/or low ionic strengths, the flocculation dose decreases with increasing molecular weight.

Oyster spat set on natural clutch in the Maryland portion of the Chesapeake Bay (1939 - 1975)

Basically this report is an attempt to document trends in oyster recruitment since 1939 and to relate those trends to the actual oyster harvest throughout the Maryland portion of the Chesapeake Bay. It is also hoped that the data as well as the charts compiled in this report will serve as a reference to aid in future studies on Chesapeake Bay oysters. A few if the major biological factors that affect the natural reproduction of the oyster and environmental degradations that may possibly affect oyster reproduction or harvest in the Chesapeake Bay are also briefly discussed. (PDF contains 32 pages)