Member Benefits

• Access to highly trained graduate and undergraduate students
• FREE Software (see below for descriptions)
• Examine reports before they are published
• Participate in workshops and seminars
• Connection to RPI faculty in diverse fields of expertise to assist in identification and resolutions
• Being informed of happenings in multiscale science and engineering

FREE SOFTWARE

Below is a list of the FREE software with descriptions which is available to our members to download and use.  Please contact the professor listed for any questions or more information on possible modifications to fit specific needs.     

1.  A Linear Example for Multiscale Homogenization Analysis (J. Fish/Z. Yuan) - We present a computational homogenization approach for linear and nonlinear solid mechanics problems, which is fully compatible with conventional finite element code architecture. A seamless implementation in ABAQUS is presented including Python script, validation problems and a web-link where script files, user-defined subroutines and input files can be accessed. For linear problems, we demonstrate how to utilize ABAQUS existing facilities to develop analysis attributes required for solving a unit cell problem. For nonlinear problems, a Python script invoked by a coarse scale stress update procedure is introduced to carry out the scale bridging. The purpose of this paper is twofold: (i) to motivate practitioners to adopt the computational homogenization as an integral part of their analysis and design process; and (ii) to encourage commercial code vendors to seamlessly integrate the architectures proposed in their legacy.

2.  Finite Element Based CFD Code (L. Zhang) - It's a finite element based CFD Navier-Stokes solver with equal-order stabilization parameters. GMRES iterative scheme is used to calculate the residuals of equations. No formation of matrices are required. Boundary conditions can be applied. 

3. SimRePlay (Y. Shi) -SimRePlay is a multi-functional general-purpose visualization software for particle based simulations. Features include full navigation, full primitive control (color, size, rendering details), animation control, bitmap rendering, diffraction pattern generation, interrogation of specific particles, link scalar/vectorial attributes to particle representations.

4. "The FORTRAN software (dynamic Monte-Carlo simulations, optimization of pore network models)" - "Dynamic Monte-Carlo simulation of diffusion in zeolites (FORTRAN software)" (M. Coppens) -This program simulates the diffusion of single components and multi-component mixtures on regular lattices using event-based, kinetic Monte-Carlo simulations. It has been tested on PCs and UNIX/Linux machines. The sites on the lattice can be of two different types, corresponding to "weak" and "strong" adsorption (residence) times. Different components may have different average residence times on each of the sites. Any site can only be occupied by one molecule at a time. An occupied site becomes vacant when the occupying molecule hops to a neighboring site. Only nearest-neighbor hops are allowed, and hops are attempted at times that are drawn from a Poisson distribution. The lattices are representative of the microporous network of zeolites (crystalline aluminosilicates), where the sites are adsorption sites for the molecules. Because of strong confinement in pores that tightly fit around them, molecules diffusing through zeolites typically spend most of their time adsorbed on sites, spending much less time moving between these sites. The hops between sites require overcoming a free energy barrier. The software could be extended to other systems in which mobility of a species is represented by activated hops between sites on a lattice, like the diffusion of vacancies and other crystal defects. The software is particularly useful in investigating the effects of lattice topology, site occupancy (from almost empty to almost full), and (static and dynamic) lattice heterogeneity on diffusion.