scholarly journals Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

2018 ◽  
Vol 148 (10) ◽  
pp. 102336 ◽  
Author(s):  
Michael J. Willatt ◽  
Michele Ceriotti ◽  
Stuart C. Althorpe
Keyword(s):  
Liquid Water ◽  
Model Tests ◽  
Planetary Model

Influence of Air Entrappment on Flood Embankment Failure Mechanism - Model Tests

2008 ◽  
Vol 11 (-1) ◽  
pp. 188-201 ◽  
Author(s):  
Piotr Bogacz ◽  
Jarosława Kaczmarek ◽  
Danuta Leśniewska
Keyword(s):  
Failure Mechanism ◽  
Model Tests ◽  
Mechanism Model

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

2019 ◽  
Author(s):  
Asmus Ougaard Dohn ◽  
Elvar Jónsson ◽  
Hannes Jonsson
Keyword(s):  
Density Functional Theory ◽  
Liquid Water ◽  
Density Functional ◽  
Water Clusters ◽  
Theory Model ◽  
Coupling Scheme ◽  
Functional Theory ◽  
Total Polarization ◽  
Electrostatic Embedding ◽  
Polarizable Embedding

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.

Lichens of the Oasis Molodyozhnyi and adjacent areas (Enderby Land, Antarctic)

2013 ◽  
Vol 47 ◽  
pp. 167-178 ◽  
Author(s):  
M. P. Andreev
Keyword(s):  
Liquid Water ◽  
Climate Conditions ◽  
Water Ice ◽  
Buellia Frigida ◽  
Antarctic Continent ◽  
Harsh Climate ◽  
The Antarctic ◽  
First Time ◽  
Lichen Flora

Lichen flora and vegetation in the vicinity of the Russian base «Molodyozhnaya» (Enderby Land, Antarctica) were investigated in 2010–2011 in details for the first time. About 500 specimens were collected in 100 localities in all available ecotopes. The lichen flora is the richest in the region and numbers 39 species (21 genera, 11 families). The studied vegetation is very poor and sparse, but typical for coastal oases of the Antarctic continent. The poorness is caused by the extremely harsh climate conditions, insufficient availability of liquid water, ice-free land, and high insolation levels. The dominant and most common lichens are Rinodina olivaceobrunnea, Amandinea punctata, Candelariella flava, Physcia caesia, Caloplaca tominii, Lecanora expectans, Caloplaca ammiospila, Lecidea cancriformis, Pseudephebe minuscula, Lecidella siplei, Umbilicaria decussata, Buellia frigida, Lecanora fuscobrunnea, Usnea sphacelata, Lepraria and Buellia spp.

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