The Finite-Volume-Particle Method for Conservation Laws

In the Finite-Volume-Particle Method (FVPM), the weak formulation of a hyperbolic conservation law is discretized by restricting it to a discrete set of test functions. In contrast to the usual Finite-Volume approach, the test functions are not taken as characteristic functions of the control volumes in a spatial grid, but are chosen from a partition of unity with smooth and overlapping partition functions (the particles), which can even move along pre­scribed velocity fields. The information exchange between particles is based on standard numerical flux functions. Geometrical information, similar to the surface area of the cell faces in the Finite-Volume Method and the corresponding normal directions are given as integral quantities of the partition functions. After a brief derivation of the Finite-Volume-Particle Method, this work focuses on the role of the geometric coefficients in the scheme

The Transition State in a Noisy Environment

Transition State Theory overestimates reaction rates in solution because conventional dividing surfaces between reagents and products are crossed many times by the same reactive trajectory. We describe a recipe for constructing a time-dependent dividing surface free of such recrossings in the presence of noise. The no-recrossing limit of Transition State Theory thus becomes generally available for the description of reactions in a fluctuating environment

Digital Transformation of Education Credential Processes and Life Cycles – A Structured Overview on Main Challenges and Research Questions

In this article, we look at the challenges that arise in the use and management of education credentials, and from the switch from analogue, paper-based education credentials to digital education credentials. We propose a general methodology to capture qualitative descriptions and measurable quantitative results that allow to estimate the effectiveness of a digital credential management system in solving these challenges. This methodology is applied to the EU H2020 project QualiChain use case, where five pilots have been selected to study a broad field of digital credential workflows and credential management. Copyright (c) IARIA, 202

Unexpectedly High Cover of Acropora cervicornis on Offshore Reefs in Roatan (Honduras)

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Action-derived molecular dynamics in the study of rare events

We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural application in the study of rare events. Its capabilities are illustrated by non-trivial examples. The algorithm lends itself to straightforward parallelization, and when combined with molecular dynamics (MD) it promises to offer a powerful tool for the study of chemical reactions.Comment: 7 Pages, 4 Figures (3 in color), submitted to Phys. Rev. Let

Stochastic Transition States: Reaction Geometry amidst Noise

Classical transition state theory (TST) is the cornerstone of reaction rate theory. It postulates a partition of phase space into reactant and product regions, which are separated by a dividing surface that reactive trajectories must cross. In order not to overestimate the reaction rate, the dynamics must be free of recrossings of the dividing surface. This no-recrossing rule is difficult (and sometimes impossible) to enforce, however, when a chemical reaction takes place in a fluctuating environment such as a liquid. High-accuracy approximations to the rate are well known when the solvent forces are treated using stochastic representations, though again, exact no-recrossing surfaces have not been available. To generalize the exact limit of TST to reactive systems driven by noise, we introduce a time-dependent dividing surface that is stochastically moving in phase space such that it is crossed once and only once by each transition path

Acceptance test report MICON software exhaust fan control

This test procedure specifies instructions for acceptance testing of software for exhaust fan control under Project ESPT (Energy Savings Performance Contract). The software controls the operation of two emergency exhaust fans when there is a power failure. This report details the results of acceptance testing for the MICON software upgrades. One of the modifications is that only one of the emergency fans will operate at all times. If the operating fan shuts off or fails, the other fan will start and the operating fan will be stopped