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Merge pull request #28 from RemDelaporteMathurin/rewrite_chapter3
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Chapter 3 remake
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RemDelaporteMathurin authored Jun 15, 2022
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15,704 changes: 7,972 additions & 7,732 deletions bibfile.bib

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2 changes: 1 addition & 1 deletion chapters/chapter2/model_description.tex
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Expand Up @@ -194,7 +194,7 @@ \subsubsection{Analytical simplification for an implanted source of H} \label{tr
In this expression, $R_i = (p / (k c_\mathrm{max}) + 1)^{-1}$ represents the maximum filling ratio of the trap $i$ and $n_i$ is the trap density.
When $t \gg \tau$, $c_\mathrm{max}(t) \approx \frac{R_p \varphi_\mathrm{imp}}{D} + \sqrt{\frac{\varphi_\mathrm{imp}}{K_r}}$

\subsection{Interface condition: conservation of chemical potential}
\subsection{Interface condition: conservation of chemical potential}\labsec{conservation of chemical potential}
% According to Krom \textit{et al} \sidecite{krom_hydrogen_2000}, since the solubility of hydrogen atoms in solids is low, the chemical potential of solute hydrogen $\mu$ is expressed by:
% \begin{equation}
% \mu = \mu_0 + RT \ln\left( \frac{c_\mathrm{m}}{N_L}\right)
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@@ -1,9 +1,9 @@
The FESTIM code was compared to TMAP7 \sidecite{longhurst_tmap7_2008} on a 1D case.

The 1D simulation case is a \SI{8.5}{mm}-thick composite slab made of W, Cu and CuCrZr (see Figure \ref{fig: monoblock 1D geometry}).
The 1D simulation case is a \SI{8.5}{mm}-thick composite slab made of W, Cu and CuCrZr (see \reffig{monoblock 1D geometry}).
The plasma facing surface $\Gamma_\mathrm{top}$ is located at $x=\SI{0}{mm}$ and the surface cooled by water $\Gamma_\mathrm{coolant}$ is located at $x=\SI{8.5}{mm}$.
The trapping parameters are detailed in Table \ref{tab:materials properties_1}.
The boundary conditions are detailed in Equation \ref{eq: code comparison BCs}.
The trapping parameters are detailed in \reftab{traps comparison tmap}.
The boundary conditions are detailed in \refeq{code comparison BCs}.

\begin{figure}
\begin{overpic}[width=0.75\linewidth]{Figures/Chapter3/monoblocks/interface_condition/iter case/Monoblock 1D.pdf}
Expand All @@ -16,25 +16,46 @@
\put(6, 25){\large$\Gamma_\mathrm{top}$}
\put(85, 25){\large$\Gamma_\mathrm{coolant}$}
\end{overpic}
\caption{TMAP7 - FESTIM comparison 1D geometry showing W \cruleme[grey]{0.3cm}{0.3cm}, Cu \cruleme[orange]{0.3cm}{0.3cm}, CuCrZr \cruleme[yellow]{0.3cm}{0.3cm}}
\label{fig: monoblock 1D geometry}
\caption{TMAP7 - FESTIM comparison 1D geometry showing W \cruleme[grey]{0.3cm}{0.3cm}, Cu \cruleme[orange]{0.3cm}{0.3cm}, CuCrZr \cruleme[yellow]{0.3cm}{0.3cm}}
\labfig{monoblock 1D geometry}
\end{figure}

\begin{table*}
\centering
\begin{tabular}{L{1.5cm} L{1.5cm} R{1.7cm} R{1.1cm} R{1.6cm} R{1.1cm} R{1.9cm}}
& Material & $k_0 (\si{m^3.s^{-1}})$ & $E_k (\si{eV})$ & $p_0 (\si{s^{-1}})$ & $E_p (\si{eV})$ & $n_i (\si{at.fr.})$ \\
\hline
\\
Trap 1 & W & $3.8 \times 10^{-17}$ & 0.39 & $8.4 \times 10^{12}$& 1.20 & $5.0 \times 10^{-4}$ \\
\\
Trap 2 & W & $3.8 \times 10^{-17}$ & 0.39 & $8.4 \times 10^{12}$& 1.40 & $5.0 \times 10^{-3}$ \\
\\
Trap 3 & Cu & $6.0 \times 10^{-17}$ & 0.39 & $8.0 \times 10^{13}$ & 0.50 &$5.0 \times 10^{-5}$\\
\\
Trap 4 & CuCrZr & $1.2\times 10^{-16}$ & 0.42 & $8.0 \times 10^{13}$ & 0.50 &$5.0 \times 10^{-5}$\\
\\
Trap 5 & CuCrZr & $1.2\times 10^{-16}$ & 0.42 & $8.0 \times 10^{13}$ & 0.83 &$4.0 \times 10^{-2}$\\
\\
\end{tabular}
\caption{Traps properties used in the comparison with TMAP7.}
\labtab{traps comparison tmap}
\end{table*}

\begin{subequations}
\begin{align}
T &= \SI{1200}{K}\quad \text { on } \Gamma_\mathrm{top}\\
c_\mathrm{m} &= \frac{\varphi_\mathrm{imp} \cdot R_p}{D} \quad \text { on } \Gamma_\mathrm{top}\\
T &= \SI{373}{K} \quad \text { on } \Gamma_\mathrm{coolant}\\
-D \nabla c_\mathrm{m} \cdot \mathbf{n} &= K_\mathrm{CuCrZr} \cdot c_\mathrm{m}^{2} \quad \text { on } \Gamma_\mathrm{coolant}
\end{align}
\label{eq: code comparison BCs}
\labeq{code comparison BCs}
\end{subequations}
with $\varphi_\mathrm{imp} = \SI{5e23}{m^{-2}.s^{-1}}$ the implanted particle flux, $R_p = \SI{1.25}{nm}$ the implantation depth, $\mathbf{n}$ the normal vector and $K_\mathrm{CuCrZr} = 2.9 \times 10^{-14}\cdot \exp{(-1.92/(k_B\cdot T))}$ the recombination coefficient of the CuCrZr (in vacuum) expressed in \si{m^4.s^{-1}} \sidecite{anderl_deuterium_1999}.

The Dirichlet boundary condition on $\Gamma_\mathrm{top}$ for the hydrogen transport corresponds to a flux balance between the implanted flux and the flux that is retro-desorbed at the surface (see Section \ref{triangle model}).
The temperature profile in TMAP7 was fixed on the temperature profile produced by FESTIM (see \reffig{temperature}).

TMAP7 and FESTIM were found to be in very good agreement (see Figure \ref{fig: code comparison}).
TMAP7 and FESTIM were found to be in very good agreement (see Figure \reffig{code comparison}).

\begin{figure*} [h]
\centering
Expand All @@ -47,6 +68,6 @@
\centering
\includegraphics[width=\linewidth]{Figures/Chapter3/monoblocks/interface_condition/iter case/comparison_codes.pdf}
\caption{Comparison of results provided by FESTIM and TMAP7}
\label{fig: code comparison}
\labfig{code comparison}
\end{figure}

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