TOPAS software

The TOPAS software of BRUKER machine (WAXD analyzer) was able to calculate the crystalline and amorphous area. For all the four samples, it was observed that the percentage of crystallinity increased after shearing the samples. In molten state, the rigid rod like molecule of LCPs remains in crystalline phase and the molecules are flowing in an ordered way. After applying shear (in the low shear rate region) the rod like molecules starts to form more order. In this region, the nematic phase of LCP molecules are transferred to smectic phase which is more ordered and thus crystallinity increased. With the increase in shear, the polymer chains would move with respect to one another and thus crystals layer formed. 

Recent software, taking advantage of fast computing, directly use the powder diffraction profiles instead of peak positions for indexing. Softwares such as X-Celft (based on successive dichotomy approach similar to DICVOL) and TOPAS-I (based on Monte Carlo methods) are examples. 

Although approximate peak positions could be obtained from many different types of software, programs which use peak shape functions to fit the powder diffraction peak profiles are more appropriate to determine the peak position more precisely. Some of the common programs are Xfit,29 TOPAS, etc. 

A number of software programs are known for stmcture refinement. The most common programs used are FUULPROF, GSAS, RIETAN, and TOPAS. ... 

Some of the software can perform several steps toward stmcture determination, for example, DASH, TOPAS, POWDERSOLVE, etc. 

Bruker AXS, TOPAS V2.1 General Profile and Structure Analysis Software for Powder Diffraction Data.-User s Manual, Bruker AXS, Karlsruhe, Germany, 2003. 

TOPAS Academic by Alan Coelho, ISIS and TOPAS V3 General profile and structure analysis software for powder diffraction data. User s Manual, (2005) Bruker AXS, Karlsruhe,... 

Topas A fundamental parameters approach to X ray line profile fitting, R. W. Cheary and A. A. Coelho, J. Appl. Crystallogr., 1992, 25, 109 121, Fundamental Parameters Line Profile Fitting in Laboratory Diffractometers, R. W. Cheary, A. A. Coelho and J. P. Cline, J. Res. Natl. Inst. Stand. TechnoL, 2004, 109, 1 25, TOPAS Academic by Alan Coelho, ISIS and TOPAS V3 General profile and structure analysis software for powder diffraction data. User s Manual, (2005) Bruker AXS, Karlsruhe, Germany Fundamental parameters Rietveld with macro language... 

Coelho AA. TOPAS. Version 4.1. Coelho Software. Brisbane (Australia) 2007. 

XRD patterns were obtained with a Bruker AXE D8 Focus diffractometer using Cu K radiation. The unit cell parameters were calculated with TOPAS v.4.z (2009, Bruker) software. FTIR spectra were recorded with a Bruker 55/S/NIR FTIR ATR spectrometer (resolution of 4 cm ). 

Analysis software Qualitative analysis Quantitative analysis Diffrac.Suite Eva, HighScore Topas (Academic), HighScore (Plus),GSAS, FullProf... 

Phase identification and Rietveld QPA were carried out using the X Pert High Score Plus v3.0e software package by PANalytical alternatively the Topas Academic v4.1 software was used to cross-check the quantification results. When similar refinement strategies were followed, the results of both software packages were found to be very similar. 

The data analysis of the XRD scan of the hydrated cement was carried out using Topas Academic v4.1 software. The data analysis departed from the results of the anhydrous cement analysis and moves through a series of steps as reflected in the following ... 

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