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% talk about what we will present in this paper |
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%Gay02: cites many other ice/water papers, make sure to cite them. |
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Understanding the ice/water interface is essential for explaining complex processes such as nucleartion and crystal growth\cite{Han92,Granasy95,Vanfleet95}, crystal melting\cite{Weber83,Han92,Sakai96,Sakai96B}, and biological interfacial processes, such as the antifreeze protein found in winter flounder\cite{Wierzbicki07, Chapsky97}. |
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Understanding the ice/water interface is essential for explaining complex processes such as nucleartion and crystal growth\cite{Han92,Granasy95,Vanfleet95}, crystal melting\cite{Weber83,Han92,Sakai96,Sakai96B}, and biological interfacial processes, such as the antifreeze protein found in winter flounder\cite{Wierzbicki07, Chapsky97}. These processes have been studied at the fundamental level of the ice/water interface by several groups, including studying the structure and width of the interface. Haymet \emph{et al.} have done extensive work on ice Ih, the most common form of ice on Earth, including characterizing and determining the width of the ice/water interface for the SPC, SPC/E, CF1, and TIP4P models for water. \cite{Karim87,Karim88,Karim90,Hayward01,Bryk02,Hayward02,Gay02} More recently, Haymet \emph{et al.} have been investigating the effects cations and anions have on crystal nucleation\cite{Bryk04,Smith05,Wilson08,Wilson10}. Nada \emph{et al.} have also studied the ice/water interface\cite{Nada95,Nada00,Nada03,Nada12}. They have found that the different facets of ice Ih have different growth rates, primarily, that the prismatic facet grows faster than the basal facet due to the mechanism of the crystal growth being the reordering of the hydrogen bonding network\cite{Nada05}. |
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Haymet \emph{et al.} have done extensive work on ice Ih, including characterizing and determining the width of the ice/water interface for the SPC, SPC/E, CF1, and TIP4P models for water. \cite{Karim87,Karim88,Karim90,Hayward01,Bryk02,Hayward02,Gay02} More recently, Haymet \emph{et al.} have been investigating the effects cations and anions have on crystal nucleation\cite{Bryk04,Smith05,Wilson08,Wilson10}. Nada \emph{et al.} have also studied the ice/water interface\cite{Nada95,Nada00,Nada03,Nada12}. They have found that the different facets of ice Ih have different growth rates, primarily, that the prismatic facet grows faster than the basal facet due to the mechanism of the crystal growth being the reordering of the hydrogen bonding network\cite{Nada05}. Other groups \cite{Baez95,Arbuckle02,}. |
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%Other people looking at the ice/water interface, bio, crystal nucleation, kinetics, etc. |
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%Geologists are concerned with the flow of water over ice |
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%Antifreeze protein in fish--Haymet's group has cited this before |
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%Paragraph explaining why the ice/water interface is important |
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%Paragraph on what other people have done / lead into what hasn't been done |
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%Paragraph on what I'm going to do |
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With the recent development of velocity shearing and scaling reverse non-equilibrium molecular dynamics (VSS-RNEMD), it is now possible to calculate transport properties from heterogeneous systems.\cite{Kuang12} This method can create simultaneous temperature and velocity gradients and allow the measurement of friction and thermal transport properties at interfaces. This allows for the study of the width of the ice/water interface as the ice is sheared through the liquid, while imposing a thermal gradient to prevent frictional heating of the interface. |
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In this paper, we investigate the width and the friction coefficient of the ice/water interface as the ice is sheared through the liquid. |
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Another complex process which requires investigation at the ice/water interface is the movement of water over ice, such as icebergs floating in the ocean. In addition to understanding the structure and width of the interface, it is pertinent to understand the friction caused by the shearing of water across the ice to understand this process. However, until recently, simulations of this nature were not possible. |
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With the recent development of velocity shearing and scaling reverse non-equilibrium molecular dynamics (VSS-RNEMD), it is now possible to calculate transport properties from heterogeneous systems.\cite{Kuang12} This method can create simultaneous temperature and velocity gradients and allow the measurement of friction and thermal transport properties at interfaces. This allows for the study of the width of the ice/water interface as the ice is sheared through the liquid, while imposing a thermal gradient to prevent frictional heating of the interface. In this paper, we investigate the width and the friction coefficient of the ice/water interface as the ice is sheared through the liquid under a weak thermal gradient. |
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\section{Methodology} |
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