From 6ffdd13a7435157b2d3ce5198b70ef0299056c08 Mon Sep 17 00:00:00 2001 From: hackbard Date: Tue, 19 Feb 2008 13:28:18 +0100 Subject: [PATCH] added flow chart of prec simulation + other misc fixes --- posic/talks/dpg_2008.tex | 125 ++++++++++++++++++++++++++++++--------- 1 file changed, 96 insertions(+), 29 deletions(-) diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex index d7e97e8..91e7218 100644 --- a/posic/talks/dpg_2008.tex +++ b/posic/talks/dpg_2008.tex @@ -16,6 +16,9 @@ \usepackage{fancyvrb} % Fancy verbatim environments \usepackage{pstricks} % PSTricks with the standard color package +\usepackage{pstricks} +\usepackage{pst-node} + \usepackage{graphicx} \graphicspath{{../img/}} @@ -200,7 +203,7 @@ \small \vspace{6pt} - Supposed mechanism of the conversion of heavily carbon doped Si into SiC: + Supposed conversion mechanism of heavily carbon doped Si into SiC: \vspace{8pt} @@ -322,32 +325,96 @@ \small SiC precipitation experiments: - \begin{itemize} - \item Initial configuration: $31\times31\times31$ unit cells Si - \item Periodic boundary conditions - \item $T=450\, ^{\circ}C$ - \item Steady state time: $600\, fs$ - \item C insertion steps: - \begin{itemize} - \item If $T=450\pm 1\, ^{\circ}C$:\\ - Insertion of 10 atoms at random positions within $V_{ins}$ - \item Otherwise: Annealing for another $100\, fs$ - \end{itemize} - \item Annealing: ($T_a: 450\rightarrow 20 \, ^{\circ}C$) - \begin{itemize} - \item If $T=T_a$: Decrease $T_a$ by $1\, ^{\circ}C$ - \item Otherwise: Annealing for another $50\, fs$ - \end{itemize} - \end{itemize} - Szenarios: - \begin{enumerate} - \item $V_{ins}$: total simulation volume $V$ - \item $V_{ins}$: $12\times12\times12$ SiC unit cells - ($\sim$ volume of minimal SiC precipitation) - \item $V_{ins}$: $9\times9\times9$ SiC unit cells - ($\sim$ volume of necessary amount of Si) - \end{enumerate} + \begin{pspicture}(0,0)(12,8) + % nodes + \rput(4.5,6.5){\rnode{init}{\psframebox{\parbox{7cm}{ + \begin{itemize} + \item Initial configuration: $31\times31\times31$ unit cells Si + \item Periodic boundary conditions + \item $T=450\, ^{\circ}C$ + \item Equilibration of $E_{kin}$ and $E_{pot}$ for $600\, fs$ + \end{itemize} + }}}} + \rput(4.5,4.5){\rnode{tc1}{\psframebox[fillstyle=solid,fillcolor=red]{ + $T=450\pm 1\, ^{\circ}C$}}} + \rput(7,3.5){\rnode{insert}{\psframebox[fillstyle=solid,fillcolor=red]{ + \parbox{3cm}{ + Insertion of 10 atoms\\ + at random positions}}}} + \rput(2,3.5){\rnode{adj1}{\psframebox[fillstyle=solid,fillcolor=red]{ + \parbox{3.5cm}{ + Adjusting temperature\\ + for another $100\, fs$}}}} + \rput(7,2.5){\rnode{nc}{\psframebox[fillstyle=solid,fillcolor=red]{ + $N_{atoms}=6000$}}} + \rput(4.5,2){\rnode{tc2}{\psframebox[fillstyle=solid,fillcolor=cyan]{ + $T=T_{set}$}}} + \rput(7,1){\rnode{td}{\psframebox[fillstyle=solid,fillcolor=cyan]{ + $T_{set}:=T_{set}-1\, ^{\circ}C$}}} + \rput(2,1){\rnode{adj2}{\psframebox[fillstyle=solid,fillcolor=cyan]{ + \parbox{3.5cm}{ + Adjusting temperature\\ + for another $50\, fs$}}}} + \rput(7,0){\rnode{tc3}{\psframebox[fillstyle=solid,fillcolor=cyan]{ + $T_{set}=20\, ^{\circ}C$}}} + \rput(10,0){\rnode{end}{\psframebox{End}}} + % help nodes + \rput(7,4.5){\pnode{tc1-h}} + \rput(2,4.5){\pnode{tc1-hh}} + \rput(4.5,2.5){\pnode{nc-h}} + \rput(9,2.5){\pnode{nc-hh}} + \rput(9,2){\pnode{tc2-h}} + \rput(2,2){\pnode{tc2-hh}} + \rput(4.5,0){\pnode{tc3-h}} + % direct lines + \ncline[]{->}{init}{tc1} + \ncline[]{->}{adj1}{tc1} + \ncline[]{->}{insert}{nc} + \ncline[]{->}{adj2}{tc2} + \ncline[]{->}{tc2}{td} + \lput*{0}{yes} + \ncline[]{->}{td}{tc3} + \ncline[]{->}{tc3}{end} + \lput*{0}{yes} + % lines using help nodes + \ncline[]{tc1}{tc1-h} + \lput*{0}{yes} + \ncline[]{->}{tc1-h}{insert} + \ncline[]{tc1}{tc1-hh} + \lput*{0}{no} + \ncline[]{->}{tc1-hh}{adj1} + \ncline[]{nc}{nc-h} + \lput*{0}{no} + \ncline[]{->}{nc-h}{tc1} + \ncline[]{nc}{nc-hh} + \ncline[]{-}{nc-hh}{tc2-h} + \ncline[]{->}{tc2-h}{tc2} + \lput*{0}{yes, {\footnotesize $T_{set}:=450\, ^{\circ}C$}} + \ncline[]{tc2}{tc2-hh} + \lput*{0}{no} + \ncline[]{->}{tc2-hh}{adj2} + \ncline[]{tc3}{tc3-h} + \lput*{0}{no} + \ncline[]{->}{tc3-h}{tc2} + % insertion volumes + \psframe[fillstyle=solid,fillcolor=white](9.5,1.3)(13.5,5.3) + \psframe[fillstyle=solid,fillcolor=lightgray](10,1.8)(13,4.8) + \psframe[fillstyle=solid,fillcolor=gray](10.5,2.3)(12.5,4.3) + \rput(9.75,3){\pnode{ins1}} + \rput(10.25,3.3){\pnode{ins2}} + \rput(10.75,3.6){\pnode{ins3}} + \ncline[]{-}{insert}{ins1} + \ncline[]{-}{insert}{ins2} + \ncline[]{-}{insert}{ins3} + \psframe[fillstyle=solid,fillcolor=white](9.5,7.6)(13.5,8.1) + \psframe[fillstyle=solid,fillcolor=lightgray](9.5,6.8)(13.5,7.3) + \psframe[fillstyle=solid,fillcolor=gray](9.5,6)(13.5,6.5) + \rput(11.5,7.85){{\tiny Simulation volume: + $31\times31\times31\, a^3_{Si}$}} + \rput(11.5,7.05){{\tiny Volume of minimal SiC precipitation}} + \rput(11.5,6.25){{\tiny Volume of necessary amount of Si}} + \end{pspicture} \end{slide} @@ -374,7 +441,7 @@ \begin{minipage}[t]{4.0cm} \underline{Tetrahedral} \begin{itemize} - \item $E_F=3.41\, eV$ + \item $E_f=3.41\, eV$ \item essentialy tetrahedral\\ bonds \end{itemize} @@ -383,7 +450,7 @@ \begin{minipage}[t]{4.0cm} \underline{110 dumbbell} \begin{itemize} - \item $E_F=4.39\, eV$ + \item $E_f=4.39\, eV$ \item essentially 4 bonds \end{itemize} \end{minipage} @@ -391,7 +458,7 @@ \begin{minipage}[t]{4.0cm} \underline{Hexagonal} \begin{itemize} - \item $E_F^{\star}\approx4.48\, eV$ + \item $E_f^{\star}\approx4.48\, eV$ \item unstable! \end{itemize} \end{minipage} -- 2.20.1