BEAGLE REVIEW
PDEase2D
Macsyma Inc.
[Overview] [Program Features]
[
The Bottom Line] [System Requirements] [Purchasing Information]

Reviewed by Dylan Bulseco

(Posted September 19, 1997 ? Issue 16; archived October 3, 1997)


Test Platform:
Pentium 166 MHz processor running Windows 95 (24 Mb RAM)

Overview

Partial differential equations (PDEs) can describe physical properties in a number of disciplines. They mathematically describe the dynamics of many biological properties in single cells or cellular membranes. PDEase2D? 3.0, from Macsyma Inc., handles the drudgery of numerically solving a series of partial differential equations. It is a flexible, generally applied, finite-element analysis package that can provide approximate solutions to partial differential equations in two-space dimensions plus time. It can solve up to 32 simultaneous linear and nonlinear partial differential equations with an unlimited number of nodes and elements. The user simply provides specific information in a problem descriptor file; PDEase2D handles the rest.

Program Features


Figure 1
All interaction with the PDEase2D math engine is handled though the Macsyma front end (MFE). Users can open template files designed to guide one through entry of the appropriate information for the problem being solved. Alternatively, one of the many sample files provided with PDEase2D may be modified to solve specific problems. A few of the topics covered by these sample notebooks include reaction-diffusion, solid diffusion, surface tension, and heat transfer. Sample notebooks are useful when learning the correct syntax to use in the problem descriptor files.

The problem descriptor file sets up the problem to be solved. Each file is composed of several sections that send information to the PDEase2D math engine. Sections are separated by predefined, reserved words in brackets, much like Windows INI files. Sections can include titles, coordinates, variables, definitions, initial values, equations, constraints, boundaries, and plots. Once a problem's description is set up, clicking on a single button in the MFE sends the appropriate commands to the PDEase2D math engine.

PDEase2D's features make solving PDEs deceptively simple. Notebooks make it easy to organize, share, and view both the input and output for any problem to be solved. Navigation within individual files and between different notebooks is facilitated by several MFE tools. PDEase2D automatically generates appropriate graphics when a series of PDEs is solved, but it is also simple to display, select, and plot a table of data using the MFE's DataView feature.

What Does PDEase2D Do?


Figure 2
PDEase2D solves systems of linear and nonlinear partial differential equations by using the finite-element method. It is a companion product to Macsyma Inc.'s eponymous Macsyma software package. While Macsyma is useful for symbolic solutions to partial differential equations, PDEase2D enables users to solve a system of PDEs numerically.

The finite-element method is one strategy for numerically solving partial differential equations, and it is especially suited for regions that are irregular in shape. This method can be reduced to several essential steps :(1) find a functional that describes the partial differential equation, (2) subdivide elements into smaller regions, (3) interpolate to find values within each region, (4) assemble the element equations to get a system of equations, (5) adjust for boundary conditions, and (6) finally solve. PDEase2D automatically handles all of these steps to output approximate solutions to this series of PDEs.

One obstacle encountered when solving PDEs using the finite-element method is to determine how precisely to subdivide the irregular region into smaller regions. This grid must be sufficiently fine to come to an approximation within the limits of error set by the user, but computing time is greatly increased as smaller regions are used. PDEase2D automatically solves this problem with a fully automated adaptive grid refinement approach. PDEase2D starts with a coarse grid of triangular regions, and iteratively refines this grid until an acceptable solution is reached. Because it only uses fine gridding in the regions that require this (e.g., where the error limit exceeds the preset values) PDEase2D optimizes speed and accurate results when it converges on a solution.

Why Partial Differential Equations?

Partial differential equations (PDEs) can be used to describe mathematically a variety of physical, mechanical, and chemical processes. For example, the process of diffusion is dependent on a number of factors. In addition to the properties of the diffusing molecule itself, other factors such as changing concentration with distance and other macromolecules that may bind (and therefore impede diffusion of the molecule being studied) must be considered. In a generic way, there are multiple processes that are linked or coupled, and the behavior of one may depend on the state of another. Partial differential equations really refer to equations that involve two or more independent variables that may affect the behavior of a dependent variable; PDEs are necessary to consider all of these processes simultaneously. Dr. Michael Stern describes the use of PDEase2D to study the diffusion of calcium in single muscle cells in this issue's Software Solutions column.

More About the MFE

The MFE, or Macsyma front end, is your interface to both the Macsyma and PDEase2D math engines. It has the look and feel of a notebook, and is essentially an online document that contains all of the necessary information to execute a command in the math engine. More than one notebook file can be displayed in the MFE, and users can easily copy and paste between notebooks or Microsoft Word or PowerPoint. Individual notebooks' attributes can be controlled by opening the Notebook Options dialog box from the File menu. Other features such as font style, height of graphics, and DataViewer displays can also be changed quickly with a few mouse clicks and keystrokes.

The MFE is an application independent of Macsyma and PDEase2D. It can be launched without connecting to the math engines by selecting the MFE program item/shortcut. Specific templates for either Macsyma or PDEase2D can be opened from within the MFE. The displayed menus are dependent on the template type utilized as well as the current section selected within a Macsyma or PDEase2D notebook. For example, different menu items and toolbar buttons are displayed if one selects a graphic section or a data section in a particular notebook.

Documentation and Internet Support


Figure 3
The online documentation is quite impressive. Users will learn not only how to use PDEase2D and Macsyma, but also learn general principles of mathematics. In addition to the standard help file, which provides comprehensive information, Macsyma Inc. has provided a number of ways to access this information. MathHelp is available for both Macsyma and PDEase2D via a browser window that makes it easy to navigate through a complex hierarchy of information. Demo files can be accessed through the help menus - important when learning to use PDEase2D. Users can search for PDEase2D sample problems by topic, keywords, or category of physical problem. These notebook files are then automatically opened in the MFE and can be modified to suit specific problems.

Preview of Macsyma

While many programs can easily deal with calculations or numerical computations, some problems are best handled in symbolic terms. Macsyma enables users to work with numbers, symbols, expressions, equations, and matrices, and can return either symbolic or numeric results. One advantage of a symbolic solution is the ability to work with exact quantities rather than numerical approximations that may depend on your computer system. Macsyma enables users to complete all computations in symbolic terms, then convert to a numerical solution with a specified precision. A full review of Macsyma 2.2 will appear in HMS Beagle later this fall.

The Bottom Line

PDEase2D is an essential software tool for any scientist or engineer who needs fast, easy-to-obtain, and accurate solutions to partial differential equations. Users simply provide essential information via the problem descriptor file, and PDEase2D automatically grids the spatial area of interest into finite elements and converges to a numerical approximation by iterative refinement of this grid. Plots to describe these solutions are generated automatically, and the companion product Macsyma can be used for pre- or post-processing through the integrated MFE. PDEase2D is a unique package that is intelligently implemented and surprisingly easy to use. If solving PDEs are essential in your research program, PDEase2D may be the right tool for you.

System Requirements

PDEase2D is available for Windows 95, Windows NT 3.51, or Windows NT 4.0 with 16 Mb of hard disk space. Minimum RAM requirements are 12 Mb (16 Mb recommended) for Windows 95 and 16 Mb (32 Mb recommended) for Windows NT.

Purchasing Information

PDEase2D 3.0 for Windows 95 and Windows NT an be purchased from Macsyma Inc. for $999, and PDEase2D Lite, a special size-restricted version of the program, for $99. Macsyma Inc. can be reached by mail at 20 Academy St., Arlington, MA 02174-6436, by phone at (800) MAC-SYMA ((800) 622-7962) or by fax at (781) 646-3161. Consult the Macsyma Inc. Web site for more information, or contact Macsyma Inc. by e-mail at info@macsyma.com or sales@macsyma.com. Read this issue's Software Solutions column for an example of PDEase2D in action. Macsyma Inc. expects to release a 3-D version of PDEase in late 1997 or early 1998.

Dylan Bulseco is Research Associate at the Worcester Foundation for Biomedical Research and contributing editor of the HMS Beagle Software department.

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