About Newmod II and Wildfire
Calculation of X-Ray Diffraction Patterns Of Mixed-Layer Clay Minerals
Newmod II, an updated version (MS Windows) of the original Newmod by Dr. Robert C. Reynolds Jr. is an integrated package for calculating
one-dimensional diffraction patterns for mixed-layer clay minerals, mixing calculated patterns to simulate natural samples for quantitative
analysis, plotting patterns to different scales, and measuring d, 2Ø, integrated areas, and peak widths at half maximum height.
Wildfire is an updated version (JAVA language) of the original written by Dr. Reynolds. It is an integrated package that calculates three-dimensional powder X-ray diffraction patterns for mica poly types and their disordered variations. It contains many of the plotting features of Newmod.
Newmod II
NEWMOD II is computationally fast and easy to operate. It is menu driven and all parameters are entered by means of buttons or sliding bars, though optionally, some can be entered by typing. The program operates in real time and in a continuous simulation mode so there is not waiting between input and output. This means you can generate, for example, a real-time animated series of patterns for a specific illite/smectite mineral in which the Fe content is continuously changed by moving the GUI Fe slider control.
NEWMOD II can, by varying some parameters numerically fit the simulated (theoretical) pattern to an experimentally derived one. The experimental pattern can be entered into Newmod in a variety of ASCII/TXT formats. The program takes care of odd or uneven 2Ø step sizes generated by some diffractometers by interpolating to the standard Newmod values of .01, .02, .05, .1, .2 or .5.
NEWMOD II can calculate a theoretical pattern made by mixing up to eight other patterns (phases) in different percentages. A numerical optimization can be run to fit the mixed pattern to the observed by automatically adjusting these percentages.
NEWMOD II is a new version of the original NEWMOD. It utilizes the same algorithms developed by Dr. Robert C. Reynolds of Dartmouth College but with features that make it more powerful and user-friendly than the old windows version. It has been successfully tested for MS Windows 10 (32 and 64 bit).
Wildfire
Calculates three-dimensional X-ray diffraction patterns for randomly oriented mica (illite) and illite/smectite (I/S) powders with various types and quantities of rotational disorder and composed of two types of randomly interstratified silicate layers.
Intensities are computed by a three-dimensional integration in the reciprocal space construct of Brindley and Méring (1951).
The program is written in standard Java and is menu driven like Newmod where all parameters are entered by means of buttons or sliding bars, though optionally, some can be entered by typing.