The Influence of Formulation, Buffering, pH and Divalent Cations on the Activity of Endothall on Hydrilla.

Endothall has been used as an aquatic herbicide for more than 40 years and provides very effective weed control of many weeds. Early research regarding the mechanism-of-action of endothall contradicts the symptomology normally associated with the product. Recent studies suggest endothall is a respiratory toxin but the mechanism-of-action remains unknown. To further elucidate the activity of endothall, several endothall formulations were evaluated for their effects on ion leakage, oxygen consumption and photosynthetic oxygen evolution from hydrilla shoot tips. The influence of pH, buffering and divalent cations was also evaluated. (PDF contains 6 pages.)

WEMo (Wave Exposure Model): Formulation, Procedures and Validation

This report describes the working of National Centers for Coastal Ocean Service (NCCOS) Wave Exposure Model (WEMo) capable of predicting the exposure of a site in estuarine and closed water to local wind generated waves. WEMo works in two different modes: the Representative Wave Energy (RWE) mode calculates the exposure using physical parameters like wave energy and wave height, while the Relative Exposure Index (REI) empirically calculates exposure as a unitless index. Detailed working of the model in both modes and their procedures are described along with a few sample runs. WEMo model output in RWE mode (wave height and wave energy) is compared against data collected from wave sensors near Harkers Island, North Carolina for validation purposes. Computed results agreed well with the wave sensors data indicating that WEMo can be an effective tool in predicting local wave energy in closed estuarine environments. (PDF contains 31 pages)

High Order Multi-Moment Constrained Finite Volume Method. Part I: Basic Formulation

A new high-order finite volume method based on local reconstruction is presented in this paper. The method, so-called the multi-moment constrained finite volume (MCV) method, uses the point values defined within single cell at equally spaced points as the model variables (or unknowns). The time evolution equations used to update the unknowns are derived from a set of constraint conditions imposed on multi kinds of moments, i.e. the cell-averaged value and the point-wise value of the state variable and its derivatives. The finite volume constraint on the cell-average guarantees the numerical conservativeness of the method. Most constraint conditions are imposed on the cell boundaries, where the numerical flux and its derivatives are solved as general Riemann problems. A multi-moment constrained Lagrange interpolation reconstruction for the demanded order of accuracy is constructed over single cell and converts the evolution equations of the moments to those of the unknowns. The presented method provides a general framework to construct efficient schemes of high orders. The basic formulations for hyperbolic conservation laws in 1- and 2D structured grids are detailed with the numerical results of widely used benchmark tests. (C) 2009 Elsevier Inc. All rights reserved.

A fully-nonlocal energy-based formulation and high-performance realization of the quasicontinuum method

The quasicontinuum (QC) method was introduced to coarse-grain crystalline atomic ensembles in order to bridge the scales from individual atoms to the micro- and mesoscales. Though many QC formulations have been proposed with varying characteristics and capabilities, a crucial cornerstone of all QC techniques is the concept of summation rules, which attempt to efficiently approximate the total Hamiltonian of a crystalline atomic ensemble by a weighted sum over a small subset of atoms. In this work we propose a novel, fully-nonlocal, energy-based formulation of the QC method with support for legacy and new summation rules through a general energy-sampling scheme. Our formulation does not conceptually differentiate between atomistic and coarse-grained regions and thus allows for seamless bridging without domain-coupling interfaces. Within this structure, we introduce a new class of summation rules which leverage the affine kinematics of this QC formulation to most accurately integrate thermodynamic quantities of interest. By comparing this new class of summation rules to commonly-employed rules through analysis of energy and spurious force errors, we find that the new rules produce no residual or spurious force artifacts in the large-element limit under arbitrary affine deformation, while allowing us to seamlessly bridge to full atomistics. We verify that the new summation rules exhibit significantly smaller force artifacts and energy approximation errors than all comparable previous summation rules through a comprehensive suite of examples with spatially non-uniform QC discretizations in two and three dimensions. Due to the unique structure of these summation rules, we also use the new formulation to study scenarios with large regions of free surface, a class of problems previously out of reach of the QC method. Lastly, we present the key components of a high-performance, distributed-memory realization of the new method, including a novel algorithm for supporting unparalleled levels of deformation. Overall, this new formulation and implementation allows us to efficiently perform simulations containing an unprecedented number of degrees of freedom with low approximation error.