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A package of computer programs for simulating cement hydration and cement paste microstructure development in three dimensions has been developed. A three-dimensional representation of microstructure is necessary for the computation of percolation and physical properties for comparison to experiment. While other recent publications have focused on the validation of the computer model [1] and various extensions [2], the purpose of this report is to provide a detailed documentation of the computer codes so that other researchers may employ them in studying problems specific to their own interests. It is strongly suggested that potential users also obtain copies of references [1] and [2] to obtain a better understanding of the technical basis underlying these documented computer programs. The experimental program which has been pursued for validating the computer models is summarized in Fig. 1. The steps required for going from a two-dimensional image to a simulation of three-dimensional microstructure development, along with the corresponding computer program names, are provided in Table 1. These programs will be described in detail in sections 2 through 4 of this user's manual.
The computer codes are available via anonymous ftp as part of the Computer Integrated Knowledge System for High-Performance Concrete [3] being developed in the Building and Fire Research Laboratory at the National Institute of Standards and Technology. They may be accessed in the /ftp/pub/CEMHYD3D subdirectory from edsel.cbt.nist.gov (129.6.104.138), by logging in as user ``anonymous'' and providing your e-mail address as the password. Postscript versions of this manual and reference [1] are also available in the /ftp/pub/CEMHYD3D/manual subdirectory.
| Step | Programs |
| Acquire and process two-dimensional image | statsimp.c |
| Determine autocorrelation for C3S + C2S, C3S, C3A or C4AF | corrcalc.c, corrxy2r.c |
| Generate 3-D particle image | genpart3d.c |
| Distribute phases in 3-D image for silicates/aluminates (C3S/C2S, C3A/C4AF) |
rand3d.f, stat3d.c, sinter3d.c |
| Execute hydration model | disreal3d.c |
Table 1: Steps in Execution of Three-Dimensional Cement Microstructure Model
Figure 1: Flow diagram summarizing experimental and modelling program for
predicting cement performance.