X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Ftalks%2Fdpg_2008.tex;h=483f760d62bb05491b787a15b3cff0c3e487fc77;hp=de7bc056d32938bfc93a5868e51493a3a012202a;hb=f14aef6d5395a7e3ec537b6025aa36a1490464d9;hpb=bf5c410802c94887cf7e49fad9ad06e450ad8069 diff --git a/posic/talks/dpg_2008.tex b/posic/talks/dpg_2008.tex index de7bc05..483f760 100644 --- a/posic/talks/dpg_2008.tex +++ b/posic/talks/dpg_2008.tex @@ -20,8 +20,8 @@ \usepackage{pstricks} \usepackage{pst-node} -\usepackage{epic} -\usepackage{eepic} +%\usepackage{epic} +%\usepackage{eepic} \usepackage{graphicx} \graphicspath{{../img/}} @@ -152,13 +152,14 @@ \item {\color{orange}fcc} $+$ \item {\color{gray}fcc shifted $1/4$ of volume diagonal} \end{itemize} - \item Lattice constants: $4a_{Si}\approx5a_{SiC}$ + \item Lattice constants: + \[ + 4a_{Si}\approx5a_{SiC} + \] \item Silicon density: \[ - \frac{n_{SiC}}{n_{Si}}= - \frac{4/a_{SiC}^3}{8/a_{Si}^3}= - \frac{5^3}{2\cdot4^3}={\color{cyan}97,66}\,\% - \] + \frac{n_{SiC}}{n_{Si}}=97,66\,\% + \] \end{itemize} \end{minipage} \hspace{8pt} @@ -213,7 +214,7 @@ Experimentally observed: \begin{itemize} \item Minimal diameter of precipitation: 4 - 5 nm - \item (hkl)-planes identical for Si and SiC + \item Equal orientation of Si and SiC (hkl)-planes \end{itemize} \end{slide} @@ -240,7 +241,7 @@ Application details: \begin{itemize} \item Integrator: Velocity Verlet, timestep: $1\, fs$ - \item Ensemble control: NVT, Berendsen thermostat, $\tau=100.0$ + \item Ensemble: NVT, Berendsen thermostat, $\tau=100.0$ \item Potential: Tersoff-like bond order potential\\ \[ E = \frac{1}{2} \sum_{i \neq j} \pot_{ij}, \quad @@ -263,27 +264,39 @@ Simulation details } - \vspace{20pt} + \vspace{8pt} - Interstitial experiments: + Interstitial simulations: - \vspace{12pt} + \vspace{8pt} - \begin{itemize} - \item Initial configuration: $9\times9\times9$ unit cells Si - \item Periodic boundary conditions - \item $T=0 \, K$ - \item Insertion of Si / C atom at - \begin{itemize} - \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral} - \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal} - \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$\\ - $\rightarrow$ {\color{magenta}110 dumbbell} - \item random positions (critical distance check) - \end{itemize} - \item Relaxation time: $2\, ps$ - \item Optional heating-up - \end{itemize} + \begin{pspicture}(0,0)(7,8) + \rput(3.5,7){\rnode{init}{\psframebox[fillstyle=solid,fillcolor=green]{ + \parbox{7cm}{ + \begin{itemize} + \item Initial configuration: $9\times9\times9$ unit cells Si + \item Periodic boundary conditions + \item $T=0 \, K$ + \end{itemize} + }}}} +\rput(3.5,3.5){\rnode{insert}{\psframebox{ + \parbox{7cm}{ + Insertion of C / Si atom: + \begin{itemize} + \item $(0,0,0)$ $\rightarrow$ {\color{red}tetrahedral} + \item $(-1/8,-1/8,1/8)$ $\rightarrow$ {\color{green}hexagonal} + \item $(-1/8,-1/8,-1/4)$, $(-1/4,-1/4,-1/4)$\\ + $\rightarrow$ {\color{magenta}110 dumbbell} + \item random positions (critical distance check) + \end{itemize} + }}}} + \rput(3.5,1){\rnode{cool}{\psframebox[fillstyle=solid,fillcolor=cyan]{ + \parbox{3.5cm}{ + Relaxation time: $2\, ps$ + }}}} + \ncline[]{->}{init}{insert} + \ncline[]{->}{insert}{cool} + \end{pspicture} \begin{picture}(0,0)(-210,-45) \includegraphics[width=6cm]{unit_cell.eps} @@ -295,7 +308,7 @@ {\large\bf Results - } - Si self-interstitial experiments + } - Si self-interstitial runs \small @@ -337,7 +350,7 @@ {\large\bf Results - } - Carbon interstitial experiments + } - Carbon interstitial runs \small @@ -374,13 +387,11 @@ \includegraphics[width=3.2cm]{c_in_si_int_rand_162_0.eps} \end{minipage} \begin{minipage}[t]{3.3cm} - $E_f=2.39\, eV$ \hspace{2pt} - \href{../video/c_in_si_int_rand_239.avi}{$\rhd$}\\ + $E_f=2.39\, eV$\\ \includegraphics[width=3.1cm]{c_in_si_int_rand_239_0.eps} \end{minipage} \begin{minipage}[t]{3.0cm} - $E_f=3.41\, eV$ \hspace{2pt} - \href{../video/c_in_si_int_rand_341.avi}{$\rhd$}\\ + $E_f=3.41\, eV$\\ \includegraphics[width=3.3cm]{c_in_si_int_rand_341_0.eps} \end{minipage} @@ -396,7 +407,7 @@ \vspace{8pt} - SiC precipitation experiments: + SiC precipitation simulations: \vspace{8pt} @@ -443,18 +454,40 @@ \begin{slide} {\large\bf - Results + Very first results of the SiC precipitation runs } - SiC-precipitation experiments: + \footnotesize - \begin{minipage}[t]{6.3cm} - \includegraphics[width=6.0cm]{../plot/sic_prec_energy.ps} - \includegraphics[width=6.0cm]{../plot/sic_prec_temp.ps} + \begin{minipage}[b]{6.9cm} + \includegraphics[width=6.3cm]{../plot/sic_prec_energy.ps} + \includegraphics[width=6.3cm]{../plot/sic_prec_temp.ps} \end{minipage} - \begin{minipage}[t]{6cm} - \includegraphics[width=6.0cm]{../plot/sic_pc.ps} - \includegraphics[width=6.0cm]{../plot/sic_prec_pc.ps} + \begin{minipage}[b]{5.5cm} + \begin{itemize} + \item {\color{red} Total simulation volume} + \item {\color{green} Volume of minimal SiC precipitation} + \item {\color{blue} Volume of necessary amount of Si} + \end{itemize} + \vspace{40pt} + \includegraphics[width=6.3cm]{../plot/foo150.ps} + \end{minipage} + +\end{slide} + +\begin{slide} + + {\large\bf + Very first results of the SiC precipitation runs + } + + \begin{minipage}[t]{6.9cm} + \includegraphics[width=6.3cm]{../plot/sic_pc.ps} + \includegraphics[width=6.3cm]{../plot/foo_end.ps} + \hspace{12pt} + \end{minipage} + \begin{minipage}[c]{5.5cm} + \includegraphics[width=6.0cm]{sic_si-c-n.eps} \end{minipage} \end{slide} @@ -468,17 +501,16 @@ \vspace{24pt} \begin{itemize} - \item Importance of understanding C in Si + \item Importance of understanding the SiC precipitation mechanism \item Interstitial configurations in silicon using the Albe potential \item Indication of SiC precipitation \end{itemize} -\vspace{16pt} +\vspace{24pt} \begin{itemize} \item Displacement and stress calculations - \item Diffusion dependence of temperature and carbon concentration - \item Analyzing results of the precipitation simulation runs + \item Refinement of simulation sequence to create 3C-SiC \item Analyzing self-designed Si/SiC interface \end{itemize}