decay potential
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2021 ◽  
Vol 11 (24) ◽  
pp. 11614
Author(s):  
Andrea Franco ◽  
Barbara Schneider-Muntau ◽  
Nicholas J. Roberts ◽  
John J. Clague ◽  
Bernhard Gems

In this work, a simple methodology for preliminarily assessing the magnitude of potential landslide-induced impulse waves’ attenuation in mountain lakes is presented. A set of metrics is used to define the geometries of theoretical mountain lakes of different sizes and shapes and to simulate impulse waves in them using the hydrodynamic software Flow-3D. The modeling results provide the ‘wave decay potential’, a ratio between the maximum wave amplitude and the flow depth at the shoreline. Wave decay potential is highly correlated with what is defined as the ‘shape product’, a metric that represents lake geometry. The relation between these two parameters can be used to evaluate wave dissipation in a natural lake given its geometric properties, and thus estimate expected flow depth at the shoreline. This novel approach is tested by applying it to a real-world event, the 2007 landslide-generated wave in Chehalis Lake (Canada), where the results match well with those obtained using the empirical equation provided by ETH Zurich (2019 Edition). This work represents the initial stage in the development of this method, and it encourages additional research and modeling in which the influence of the impacting characteristics on the resulting waves and flow depths is investigated.


2020 ◽  
Author(s):  
Mohamad Mohebifar ◽  
Christopher Rowley

A molecular mechanical model for liquid water is developed that uses a physically-motivated potential to represent Pauli repulsion and dispersion instead of the standard Lennard-Jones potential. The model has three-atomic sites and a virtual site located on the ∠HOH bisector (i.e., a TIP4P-type model). Pauli-repulsive interactions are represented using a Buckingham-type exponential decay potential. Dispersion interactions are represented by both and terms. This higher order dispersion term has been neglected by most force fields. The ForceBalance code was used to define parameters that optimally reproduce the experimental physical properties of liquid water. The resulting model is in good agreement with the experimental density, dielectric constant, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, diffusion coefficient, and radial distribution function. A GPU-accelerated implementation of this improved non-bonded potential can be employed in OpenMM without modification by using the CustomNonBondedForce feature. Efficient and automated parameterization of these non-bonded potentials provides a rational strategy to define a new molecular mechanical force field that treats repulsion and dispersion interactions more rigorously without major modifications to existing simulation codes or a substantially larger computational cost.


2020 ◽  
Author(s):  
Mohamad Mohebifar ◽  
Christopher Rowley

A molecular mechanical model for liquid water is developed that uses a physically-motivated potential to represent Pauli repulsion and dispersion instead of the standard Lennard-Jones potential. The model has three-atomic sites and a virtual site located on the ∠HOH bisector (i.e., a TIP4P-type model). Pauli-repulsive interactions are represented using a Buckingham-type exponential decay potential. Dispersion interactions are represented by both and terms. This higher order dispersion term has been neglected by most force fields. The ForceBalance code was used to define parameters that optimally reproduce the experimental physical properties of liquid water. The resulting model is in good agreement with the experimental density, dielectric constant, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, diffusion coefficient, and radial distribution function. A GPU-accelerated implementation of this improved non-bonded potential can be employed in OpenMM without modification by using the CustomNonBondedForce feature. Efficient and automated parameterization of these non-bonded potentials provides a rational strategy to define a new molecular mechanical force field that treats repulsion and dispersion interactions more rigorously without major modifications to existing simulation codes or a substantially larger computational cost.


2020 ◽  
Author(s):  
Mohamad Mohebifar ◽  
Christopher Rowley

A molecular mechanical model for liquid water is developed that uses a physically-motivated potential to represent Pauli repulsion and dispersion instead of the standard Lennard-Jones potential. The model has three-atomic sites and a virtual site located on the ∠HOH bisector (i.e., a TIP4P-type model). Pauli-repulsive interactions are represented using a Buckingham-type exponential decay potential. Dispersion interactions are represented by both and terms. This higher order dispersion term has been neglected by most force fields. The ForceBalance code was used to define parameters that optimally reproduce the experimental physical properties of liquid water. The resulting model is in good agreement with the experimental density, dielectric constant, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, diffusion coefficient, and radial distribution function. A GPU-accelerated implementation of this improved non-bonded potential can be employed in OpenMM without modification by using the CustomNonBondedForce feature. Efficient and automated parameterization of these non-bonded potentials provides a rational strategy to define a new molecular mechanical force field that treats repulsion and dispersion interactions more rigorously without major modifications to existing simulation codes or a substantially larger computational cost.


2019 ◽  
Vol 154 ◽  
pp. 155-166 ◽  
Author(s):  
Georgia Nikolitsa ◽  
Christina Giarma
Keyword(s):  

Climate ◽  
2019 ◽  
Vol 7 (2) ◽  
pp. 33 ◽  
Author(s):  
Terje Grøntoft

The wood rot decay of structures and buildings in Norway represents high costs. This paper reports the observed trends for the potential rot decay of Norwegian wood structures in the cities of Oslo and Bergen over the recent 55 years, calculated as the “wood rot climate index” developed by Scheffer, and compares the reports with previous reported values based on climate change modelling. The observed change in the wood rot climate index was close to the modelling result. Bergen is exposed directly to the westerly Atlantic winds and has among the highest rain amounts in Norway, whereas Oslo is shielded by the Scandinavian mountain chain and has much less rain. The change in the wood rot climate index since 1961 was about 20% in both cities, but the trend in the index (climate index change per year) was about 80% stronger in Bergen. The absolute index changes were largest in the summer; then spring (50 to 60% of the summer increase); and small, zero, or even negative (autumn in Oslo) in the remaining seasons. The relative changes were higher in the spring than summer and very high in Bergen in the winter from a low value. The change to positive index values in the spring and winter indicates temperature and humidity conditions favoring the growth of wood rot and, thus, extended the rot duration through the year. The expected increase in the future wood rot decay potential in Norway shows the need for increased focus on adaption measures to reduce the related damages and costs.


2018 ◽  
Vol 22 (4-6) ◽  
pp. 89-97
Author(s):  
C. Brischke ◽  
T. Bornemann ◽  
A.O. Rapp

Abstract Reed (Phragmites australis (Cav.) Trin. ex Steud.) is a traditional building material in many parts of the world and provides service lives of more than 50 years when used for thatching. However, during the last decades a significant number of thatched roofs showed premature failure due to decay. Potential reasons for this are manifold but not clearly identified, yet. This monitoring project aimed therefore on investigating the moisture and temperature conditions within a thatched roof structure showing severe degradation after only seven years in service to obtain more information about the decay risk of reed and its potential causes. Highest moisture loads were found on the outermost layers of the North-faced roof, which also showed superficial growth of algae, lichens, and mosses. However, it stayed unclear if increased moisture content (MC) was the reason for or the consequence of decay. An increased MC was also found where the roof pitch turned from steep to flat. The use of so-called substitute sensors made from preservative treated wood turned out as a useful method to determine equilibrium moisture contents as well as time of wetness in reed structures and might be applied also for further field testing and monitoring with reed, straw, or other organic fibrous materials.


2016 ◽  
Vol 40 (2) ◽  
pp. 363-370
Author(s):  
Douglas Edson Carvalho ◽  
Ana Paula Marques Martins ◽  
Elio José Santini ◽  
Liana Sarturi de Freitas ◽  
Maiara Talgatti ◽  
...  

AB STRACT This study aimed at evaluating the natural durability of Eucalyptus dunnii, Eucalyptus robusta, Eucalyptus tereticornis and Hovenia dulcis woods submitted to a deterioration test in two environments, field and forest. The test samples were buried until half of their length (150 mm). Evaluations were carried out each 45 days, totalizing a 405-day period, with three-repetition withdrawal of each species for environment, totalizing nine samples from each environment, making up 24 test samples for evaluation. After percentage calculations of mass loss and resistance degree classification, the deterioration index was adopted for decomposition evaluation and fungal decay potential determination of test samples. The study has been carried out in completely randomized design (CRD), evaluated through analysis of variance (ANOVA) with subsequent comparison of means by Turkey' s test, in a 5%-level of probability of error, along with regression analysis. Eucalyptus tereticornis wood presented lesser mass loss in both environments. Hovenia dulcis presented lesser deterioration probability in both environments. Forest environment test samples presented greater mass loss percentages and lesser deterioration index.


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