CRYSTAL_QED
Crystallization Optimization

CRYSTAL_QED is an executable FORTRAN90 program, using double precision arithmetic, which seeks a set of parameters that minimize a cost functional associated with a crystallization problem.

Related Data and Programs:

CRYSTAL is an executable FORTRAN90 program which simulates the growth of a silicon crystal under the Czochralski process.

CRYSTAL_PLOT is an executable FORTRAN90 program which creates graphic images of data from CRYSTAL or CRYSTAL_QED.

DQED is a FORTRAN90 library which carries out the least squares minimization of a bounded and constrained functional; this library is required by CRYSTAL_QED.

Reference:

1. Suhas Patankar,
   Numerical Heat Transfer and Fluid Flow,
   Taylor and Francis, 1980,
   ISBN: 0891165223,
   LC: QC320.P37
2. Fumio Shimura,
   Semiconductor Silicon Crystal Technology,
   Academic Press, 1989,
   LC: TK7871.85 S523.

Source Code:

• crystal_qed.f90, the source code.
• crystal_qed.csh, commands to compile, link and load the source code.

Examples and Tests:

• crystal_qed.out, sample problem output.
• crystal_qed.rs, a restart file.
• crystal_qed.tec, data from the program suitable for input to the graphics program TECPLOT.

List of Routines:

• CRYSTAL_QED seeks parameters that minimize a crystallization cost functional.
• DQEDEV evaluates certain functions being treated by DQED.
• FUNC communicates between the optimizer and the constitutive routines.
• ADAPT executes MAGG, the multizone adaptive grid generation.
• CUBIC constructs a cubic spline through data.
• DAMAX returns the maximum absolute value of the entries of a vector.
• DIFLOW computes the convection-diffusion coefficient ACOF.
• DOAREA calculates control volume areas.
• FINDP finds the boundary nodes associated with a Neumann condition.
• FLUX computes the flux of various quantities.
• GAMSOR sets the coefficients for the transport problems.
• GRADNT estimats the gradient of PHI at a primary node index (I,J).
• HELLO prints a brief message identifying the program.
• INIDAT sets the initial values of certain data.
• INIGRD makes an initial assignment of the grid points XC, YC.
• MOVGRD calculates the new position of the interface and free surface.
• OUTPUT prints some sample data from the ongoing solution.
• PMOD interpolates the pressure at boundary corners.
• PRDAT prints out the initial values of certain data.
• RESID computes the residual of the linear equations.
• RSWRIT writes out information which can be used for restarts or plots.
• SETCST computes a portion on the cost functional.
• SETGEO calculates various geometric quantities.
• SETP estimates the values of pressure at the interfaces.
• SETRU estimates the normal mass velocity component at interfaces.
• SETUP calculates the coefficients of the equations, and solves them.
• SETX calculates the locations of the primary nodes.
• SOLVE1 sets or modifies certain entries of the linear system.
• SOLVE2 is the tridiagonal matrix solver.
• TIMESTAMP prints the current YMDHMS date as a time stamp.
• VORTIC computes the value of the vorticity.
• WRTEC writes solution data to a TECPLOT input file.

You can go up one level to the FORTRAN90 source codes.