Materials Algorithms Project Kinetic Theory: Program Library

This library contains complete PROGRAMS relating to the general kinetic theory of materials.

Format of documentation within this library.

Programs Available

A

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B

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C

MAP_KINETIC_CHEM_POT6

To obtain the variation of chemical potentials and equilibrium precipitate and matrix compositions of a system at a given temperature as the pressure of the system is incremented.

Language: FORTRAN

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D

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E

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F

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G

MAP_KINETIC_GRAINGROWTH

Simulates grain growth kinetics using a Monte Carlo method in two dimensions. The algorithm prevents grains of the same orientation from coalescing.

Language: FORTRAN

MAP_KINETIC_GRAINGROWTH_3D

Simulates grain growth kinetics using a Monte Carlo method in three dimensions. The algorithm prevents grains of the same orientation from coalescing.

Language: FORTRAN

MAP_KINETIC_GRAINGROWTHb_3D

This computer program and its graphical user interface can be used to calculate isothermal grain growth in three dimensions, grain perimeter in selected planes and the distribution of the grain size. Furthermore, the program analyzes the computed results to determine certain topological features along selected planes such as the number of sides of the various grains and the angles between the adjacent sides.

Language: FORTRAN \∓\ Executable

MAP_KINETICS_GRAINGROWTH_WELD

Calculates the average grain size in the absence of alloying elements/precipitates (free grain growth). This code has been written for a continuous arc welding application, where the thermal history consists of heating and cooling periods. Here, the temperature is transient. The code can also be used for the average grian size calculations in the presence of stabe alloying elements/precipitates or growing precipitates or dissolving precipitates by modifying the rate equation. The maximum average grain size depends on the peak temperature of the thermal cycle.

Language: FORTRAN

MAP_KINETICS_GRAINGROWTH_WELD2

This code calculates the grain size (diameter) variation at a given position within the heat-affected zone (HAZ) in the presence of stable particles. Stable particles mean that the particles neither coarsen nor dissolve (oxides and sulphides) during a weld thermal cycle.

Language: FORTRAN

MAP_KINETICS_GRAINGROWTH_WELD3

This code calculates the grain size (diameter) variation at a given position within the heat-affected zone (HAZ) in the presence of growing precipitates (carbides/nitrides) during a weld cycle.

Language: FORTRAN

MAP_KINETICS_GRAINGROWTH_WELD4

This code calculates the grain size (diameter) variation at a given position within the heat-affected zone (HAZ) in the presence dissolving precipitates (carbides/nitrides) during a weld cycle.

Language: FORTRAN

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H

MAP_KINETICS_HAZ_MICROSTRUCTURES

Calculates the heat-affected zone microstructure in steel welds as a function of chemical composition and cooling rate.

Language: FORTRAN

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IJ

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K

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L

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M

MAP_KINETICS_MOVING_BOUNDARY

To track the position of the interface in a two phase diffusion-controlled moving boundary problem.

Language: C/C++

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N

MAP_KINETIC_NEEDLE2

To obtain the variation of dimensionless supersaturation with Pˇclet number and the ratio of the needle tip radius and the critical radius for nucleation.

Language: FORTRAN

MAP_KINETIC_NEEDLE3

To obtain the variation of small values of dimensionless supersaturation with Pˇclet number and the ratio of the plate tip radius and the critical radius for nucleation.

Language: FORTRAN

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O

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PQ

MAP_KINETICS_MTDATA_PRECIPITATION

A program to estimate the kinetics of diffusion-controlled, multiple precipitation reactions in austenitic stainless steels. This program can also be used for the same purpose in different systems for which the SGTE databases provide thermodynamic data, but the user will be required to input the diffusion coefficients.

Language: FORTRAN

MAP_KINETIC_PARAMETER_R1

To obtain the variation of functions N1, N2, R1, R2 with Pˇclet number. These values can be used to calculate the needle lengthening rate using Trivedi's kinetics.

Language: FORTRAN

MAP_KINETIC_PLATE2

To obtain the variation of dimensionless supersaturation with Pˇclet number and the ratio of the plate tip radius and the critical radius for nucleation.

Language: FORTRAN

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R

MAP_KINETIC_READ75

To obtain the variation of small values of growth parameter for spherical growth as a function of the dimensionless particle radius (particle radius over critical radius for nucleation), for different values of dimensionless supersaturation. The results produced by this program can be compared with those casted by an approximate analytical solution (MAP_KINETIC_ZENER_CAPI and MAP_KINETIC_ZENER_CAPI1).

Language: FORTRAN

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S

MAP_KINETIC_1DSPINODAL

Simulation of one-dimensional spinodal decomposition in iron--chromium alloys. The program is based on the Cahn-Hilliard equation and is intended as an illustration for teaching purposes.

Language: FORTRAN

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T

TLP_PLANAR

A one-dimensional model which describes the changing concentration profiles in two-phase systems where diffusion across the interface causes the phase boundary to move (at a constant temperature). In particular, this model has been used to study transient liquid phase bonding.

Language: C/C++

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UVW

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XYZ

MAP_KINETIC_ZENER_CAPI

To obtain the variation of growth parameter for spherical growth as a function of dimensionless supersaturation.

Language: FORTRAN

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