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\begin{document} |
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\title{Simulating interfacial thermal conductance at metal-solvent |
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interfaces: the role of chemical capping agents} |
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\title{Simulating Interfacial Thermal Conductance at Metal-Solvent |
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Interfaces: the Role of Chemical Capping Agents} |
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\author{Shenyu Kuang and J. Daniel |
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Gezelter\footnote{Corresponding author. \ Electronic mail: gezelter@nd.edu} \\ |
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to solvent) provides a mechanism for rapid thermal transport across |
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the interface. Our calculations also suggest that this is a |
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non-monotonic function of the fractional coverage of the surface, as |
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moderate coverages allow convective heat transport of solvent |
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moderate coverages allow {\bf vibrational heat diffusion} of solvent |
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molecules that have been in close contact with the capping agent. |
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\end{abstract} |
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\label{demoPic} |
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\end{figure} |
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{\bf We attempt another approach by assuming that temperature is |
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continuous and differentiable throughout the space. Given that |
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$\lambda$ is also differentiable, $G$ can be defined as its |
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gradient. This quantity has the same unit as the commonly known $G$, |
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and the maximum of its magnitude denotes where thermal conductivity |
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has the largest change, i.e. the interface. And vector |
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$\nabla\lambda$ is normal to the interface. In a simplified |
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condition here, we have both $\vec{J}$ and the thermal gradient |
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paralell to the $z$ axis and yield the formula used in our |
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computations.} |
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(original text) |
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The other approach is to assume a continuous temperature profile along |
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the thermal gradient axis (e.g. $z$) and define $G$ at the point where |
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the magnitude of thermal conductivity ($\lambda$) change reaches its |
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capping agent. Table \ref{modelTest} summarizes the results of these |
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studies. |
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{\bf MAY NOT NEED $J_z$ IN TABLE} |
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\begin{table*} |
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\begin{minipage}{\linewidth} |
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\begin{center} |
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investigations in that we can rely on $G$ measurement with only a |
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small number $J_z$ values. |
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{\bf MAY MOVE TO SUPPORT INFO} |
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\begin{table*} |
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\begin{minipage}{\linewidth} |
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\begin{center} |
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temperature values reported are for the entire system, and not for the |
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liquid phase, so at a given $\langle T \rangle$, the system with |
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positive $J_z$ has a warmer liquid phase. This means that if the |
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liquid carries thermal energy via convective transport, {\it positive} |
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liquid carries thermal energy via diffusive transport, {\it positive} |
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$J_z$ values will result in increased molecular motion on the liquid |
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side of the interface, and this will increase the measured |
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conductivity. |
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of one side of the interface (notably the density) change rapidly as a |
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function of temperature. |
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{\bf MAY MOVE TO SUPPORT INFO} |
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\begin{table*} |
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\begin{minipage}{\linewidth} |
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\begin{center} |
