About: Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present MD simulations of self-diffusion in the quasi-liquid layer on ice. Our results indicate a positive Arrhenius curvature, implying a change in the mechanism of self-diffusion from low to high temperature, with a concomitant increase in energy of activation from 29.1 kJ mol^1 at low temperature to 53.8 kJ mol^1 close to the melting point. In addition, we find that the surface self-diffusion is anisotropic at lower temperatures, transitioning to isotropic in the temperature range of 240–250 K. We present MD simulations of self-diffusion in the quasi-liquid layer on ice. Our results indicate a positive Arrhenius curvature, implying a change in the mechanism of self-diffusion from low to high temperature, with a concomitant increase in energy of activation from 29.1 kJ mol^1 at low temperature to 53.8 kJ mol^1 close to the melting point. In addition, we find that the surface self-diffusion is anisotropic at lower temperatures, transitioning to isotropic in the temperature range of 240–250 K. (en)
Title	Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice (en)
skos:prefLabel	Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice (en)
skos:notation	RIV/61388963:_____/11:00367189!RIV12-AV0-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GAP208/10/1724), P(LC512), P(ME09064), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	44
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Roeselová, Martina Jungwirth, Pavel Maršálek, Ondřej Gladich, Ivan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	187105
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/11:00367189
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	molecular dynamics simulation; ice-vapor interface; quasi-liquid layer (en)
http://linked.open.../riv/klicoveSlovo	ice-vapor interface molecular dynamics simulation quasi-liquid layer
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F00E4ADF5770]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular simulation studies of structure and dynamics of ice surfaces in the presence of impurities and atmospheric pollutants Center for biomolecules and complex molecular systems Chemistry at atmospheric surfaces: Molecular level investigation usány laboratory experiments and computer simulations
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	13
http://linked.open...iv/tvurceVysledku	Gladich, Ivan Jungwirth, Pavel Maršálek, Ondřej Neshyba, S. Pfalzgraff, W. Roeselová, Martina
http://linked.open...ain/vavai/riv/wos	000296383100034
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1463-9076
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c1cp22238d
is http://linked.open...avai/riv/vysledek of	Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice

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