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crystal_qed.html
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<html>
<head>
<title>
CRYSTAL_QED - Crystallization Optimization
</title>
</head>
<body bgcolor="#EEEEEE" link="#CC0000" alink="#FF3300" vlink="#000055">
<h1 align = "center">
CRYSTAL_QED <br> Crystallization Optimization
</h1>
<hr>
<p>
<b>CRYSTAL_QED</b>
is a FORTRAN90 program which
seeks a set of parameters that minimize a cost
functional associated with a crystallization problem.
</p>
<h3 align = "center">
Licensing:
</h3>
<p>
The computer code and data files described and made available on this web page
are distributed under
<a href = "../../txt/gnu_lgpl.txt">the GNU LGPL license.</a>
</p>
<h3 align = "center">
Related Data and Programs:
</h3>
<p>
<a href = "../../f_src/crystal/crystal.html">
CRYSTAL</a>,
a FORTRAN90 program which
simulates the growth of a silicon crystal under the Czochralski process.
</p>
<p>
<a href = "../../f_src/crystal_plot/crystal_plot.html">
CRYSTAL_PLOT</a>,
a FORTRAN90 program which
creates graphic images of data from <b>CRYSTAL</b> or <b>CRYSTAL_QED</b>.
</p>
<p>
<a href = "../../f_src/dqed/dqed.html">
DQED</a>,
a FORTRAN90 library which
carries out the least squares minimization of a bounded and constrained
functional; this library is required by <b>CRYSTAL_QED</b>.
</p>
<h3 align = "center">
Reference:
</h3>
<ol>
<li>
Suhas Patankar,<br>
Numerical Heat Transfer and Fluid Flow,<br>
Taylor and Francis, 1980,<br>
ISBN: 0891165223,<br>
LC: QC320.P37
</li>
<li>
Fumio Shimura,<br>
Semiconductor Silicon Crystal Technology,<br>
Academic Press, 1989,<br>
LC: TK7871.85 S523.
</li>
</ol>
<h3 align = "center">
Source Code:
</h3>
<p>
<ul>
<li>
<a href = "crystal_qed.f90">crystal_qed.f90</a>, the source code.
</li>
<li>
<a href = "crystal_qed.sh">crystal_qed.sh</a>,
commands to compile, link and load the source code.
</li>
</ul>
</p>
<h3 align = "center">
Examples and Tests:
</h3>
<p>
<ul>
<li>
<a href = "crystal_qed_output.txt">crystal_qed_output.txt</a>, sample problem
output.
</li>
<li>
<a href = "crystal_qed.rs">crystal_qed.rs</a>, a restart
file.
</li>
<li>
<a href = "crystal_qed.tec">crystal_qed.tec</a>, data from the
program suitable for input to the graphics program TECPLOT.
</li>
</ul>
</p>
<h3 align = "center">
List of Routines:
</h3>
<p>
<ul>
<li>
<b>CRYSTAL_QED</b> seeks parameters that minimize a crystallization cost functional.
</li>
<li>
<b>DQEDEV</b> evaluates certain functions being treated by DQED.
</li>
<li>
<b>FUNC</b> communicates between the optimizer and the constitutive routines.
</li>
<li>
<b>ADAPT</b> executes MAGG, the multizone adaptive grid generation.
</li>
<li>
<b>CUBIC</b> constructs a cubic spline through data.
</li>
<li>
<b>DAMAX</b> returns the maximum absolute value of the entries of a vector.
</li>
<li>
<b>DIFLOW</b> computes the convection-diffusion coefficient ACOF.
</li>
<li>
<b>DOAREA</b> calculates control volume areas.
</li>
<li>
<b>FINDP</b> finds the boundary nodes associated with a Neumann condition.
</li>
<li>
<b>FLUX</b> computes the flux of various quantities.
</li>
<li>
<b>GAMSOR</b> sets the coefficients for the transport problems.
</li>
<li>
<b>GRADNT</b> estimats the gradient of PHI at a primary node index (I,J).
</li>
<li>
<b>HELLO</b> prints a brief message identifying the program.
</li>
<li>
<b>INIDAT</b> sets the initial values of certain data.
</li>
<li>
<b>INIGRD</b> makes an initial assignment of the grid points XC, YC.
</li>
<li>
<b>MOVGRD</b> calculates the new position of the interface and free surface.
</li>
<li>
<b>OUTPUT</b> prints some sample data from the ongoing solution.
</li>
<li>
<b>PMOD</b> interpolates the pressure at boundary corners.
</li>
<li>
<b>PRDAT</b> prints out the initial values of certain data.
</li>
<li>
<b>RESID</b> computes the residual of the linear equations.
</li>
<li>
<b>RSWRIT</b> writes out information which can be used for restarts or plots.
</li>
<li>
<b>SETCST</b> computes a portion on the cost functional.
</li>
<li>
<b>SETGEO</b> calculates various geometric quantities.
</li>
<li>
<b>SETP</b> estimates the values of pressure at the interfaces.
</li>
<li>
<b>SETRU</b> estimates the normal mass velocity component at interfaces.
</li>
<li>
<b>SETUP</b> calculates the coefficients of the equations, and solves them.
</li>
<li>
<b>SETX</b> calculates the locations of the primary nodes.
</li>
<li>
<b>SOLVE1</b> sets or modifies certain entries of the linear system.
</li>
<li>
<b>SOLVE2</b> is the tridiagonal matrix solver.
</li>
<li>
<b>TIMESTAMP</b> prints the current YMDHMS date as a time stamp.
</li>
<li>
<b>VORTIC</b> computes the value of the vorticity.
</li>
<li>
<b>WRTEC</b> writes solution data to a TECPLOT input file.
</li>
</ul>
</p>
<p>
You can go up one level to <a href = "../f_src.html">
the FORTRAN90 source codes</a>.
</p>
<hr>
<i>
Last revised on 16 February 2008.
</i>
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