Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aduy_v4_0.tar.gz(2968 Kbytes)|
|Manuscript Title: Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part I|
|Authors: Andrzej Daniluk|
|Program title: RHEED1DProcess|
|Catalogue identifier: ADUY_v4_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 181(2010)707|
|Programming language: Embarcadero C++ Builder.|
|Computer: Intel Core Duo-based PC.|
|Operating system: Windows XP, Vista, 7.|
|RAM: more than 1 GB|
|Supplementary material: The figures mentioned in the "Summary of revisions" section, can be obtained here.|
|Keywords: Reflection high-energy electron diffraction (RHEED), UML, Model-Driven Development (MDD), Model-Driven Architecture (MDA), Model-Driven Engineering (MDE).|
|Classification: 4.3, 7.2, 6.2, 8, 14.|
Does the new version supersede the previous version?: No
Nature of problem:
An application that implements numerical simulations should be constructed according to the CSFAR rules: clear and well-documented, simple, fast, accurate, and robust. A clearly written, externally and internally documented program is much easier to understand and modify. A simple program is much less prone to error and is more easily modified than one that is complicated. Simplicity and clarity also help make the program flexible. Making the program fast has economic benefits. It also allows flexibility because some of the features that make a program efficient can be traded off for greater accuracy. Making the program fast also has the benefit of allowing longer calculations with better resolution. The compromise between speed and accuracy has always posted one of the most troublesome challenges for the programmer. Almost all advances in numerical analysis have come about trying to reach these twin goals. Change in the basic algorithms will give greater improvements in accuracy and speed than using special numerical tricks or changing programming language. A robust program works correctly over a broad spectrum of input data.
The computational model of the program is based on the use of a dynamical diffraction theory in which the electrons are taken to be diffracted by a potential, which is periodic in the dimension perpendicular to the surface. In the case of a disordered surface we can use the proportional model of the scattering potential, in which the potential of a partially filled layer is taken to be the product of the coverage of this layer and the potential of a fully filled layer:
Un(θ,z) = ΣnΣiθn(ti/τ)U< sub>n(1,zi),
where Un(1,zi) stands for the potential for the full nth layer, and Un(θ,z) the potential of the growing layer.
Reasons for new version:
Responding to the user feedback the RHEEDGr_09 program has been upgraded to a standard that allows carrying out computations of the RHEED intensities for a disordered surface. Also, functionality and documentation of the program have been improved.
Summary of revisions:
* The figures mentioned can be downloaded, see "Supplementary material" above.
The program is distributed in the form of main projects RHEED1DProcess.cbproj and Graph2D0x.cbproj with associated files, and should be compiled using Embarcadero RAD Studio 2010 along with Together visual-modelling platform.
The program should be compiled with English/USA regional and language options.
This version of the RHEED program is designed to run in conjunction with the GROWTH09, (ADVL_v3_0) program. It does not replace the previous, stand alone, RHEEDGR-09 (ADUY_v3_0) version.
The typical running time is machine and user-parameters dependent.
|||OMG, Model Driven Architecture Guide Version 1.0.1, 2003.|
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