DiffractWD: an open-source program for powder pattern comparison and visualization

2010 ◽  
Vol 44 (1) ◽  
pp. 219-220 ◽  
Author(s):  
Volodimir Vreshch

A new program for basic powder pattern manipulations and visualization is described. It provides a user-friendly interface for comparison of spectra with each other and with simulated patterns based on single-crystal data. The program contains all necessary tools for the preparation of routine images for qualitative phase analysis and can be downloaded free of charge from http://diffractwd.com.

Author(s):  
Emilio Martínez‐Núñez ◽  
George L. Barnes ◽  
David R. Glowacki ◽  
Sabine Kopec ◽  
Daniel Peláez ◽  
...  

2021 ◽  
Vol 23 (1) ◽  
pp. 27-33
Author(s):  
Hussan Munir ◽  
Carl-Erik Mols

2015 ◽  
Vol 48 (2) ◽  
pp. 598-603 ◽  
Author(s):  
Angela Altomare ◽  
Nicola Corriero ◽  
Corrado Cuocci ◽  
Aurelia Falcicchio ◽  
Anna Moliterni ◽  
...  

QUALX2.0is the new version ofQUALX, a computer program for qualitative phase analysis by powder diffraction data. The previous version ofQUALXwas able to carry out phase identification by querying the PDF-2 commercial database. The main novelty ofQUALX2.0is the possibility of querying also a freely available database, POW_COD. POW_COD has been built up by starting from the structure information contained in the Crystallography Open Database (COD). The latter is a growing collection of diffraction data, freely downloadable from the web, corresponding to inorganic, metal–organic, organic and mineral structures.QUALX2.0retains the main capabilities of the previous version: (a) automatically estimating and subtracting the background; (b) locating the experimental diffraction peaks; (c) searching the database for single-phase pattern(s) best matching to the experimental powder diffraction data; (d) taking into account suitable restraints in the search; (e) performing a semi-quantitative analysis; (f) enabling the change of default choices and strategiesviaa user-friendly graphic interface. The advances ofQUALX2.0with respect toQUALXinclude (i) a wider variety of types of importable ASCII file containing the experimental diffraction pattern and (ii) new search–match options. The program, written in Fortran and C++, runs on PCs under the Windows operating system. The POW_COD database is exported in SQLite3 format.


2020 ◽  
Vol 2020 (1) ◽  
pp. 000246-000258
Author(s):  
Nina S. Dytiuk ◽  
Thomas F. Marinis ◽  
Joseph W. Soucy

Abstract Adhesively bonded joints are ubiquitous in electronic assemblies that are used in a wide range of applications, which include automotive, medical, military, space and communications. The steady drive to reduce the size of assemblies in all of these applications, while providing increased functionality, generates a need for adhesive joints of higher strength, improved thermal and electrical conductivity and better dielectric isolation. All of these attributes of adhesive joints are degraded by the presence of voids in them. The quest to minimize voids in bonded structures motivated a previous study of their formation in a solvent cast, die bond epoxy film, which undergoes a liquid phase transition during cure. That work is extended in this study by including the effects of various filler morphologies in the adhesive. Fillers are added to adhesives to facilitate handling of thin sheet formats, control bond line thickness and reduce coefficient of thermal expansion. As such, fillers are selected to be inert with respect to the adhesive chemistry, while being readily wetted by it in the liquid state. Common filler morphologies include woven and molded open meshes, fibers chopped to uniform length, and spheres of uniform or distributed diameters. Void formation is influenced by a number factors, which include wettability of the bonded surfaces, adsorbed water, amount of solvent retained in the film, volume of entrapped air, thermal profile of the cure schedule, and clamping pressure during cure. The presence of fillers in the adhesive adds the additional factors of constrained diffusion paths and increased area for void nucleation. We have changed our approach to modeling the diffusion of volatile species in adhesive joints from a finite difference calculation in a uniform adhesive medium used previously, to a finite element model of a complex diffusion space. The open source program Gmsh is used to generate the diffusion space from a set of input parameters. The calculations of concentration profiles and diffusion fluxes of volatile species at the void interface are made using the open source finite element program elmer. As done previously, the position of the void interface is updated by integrating the product of time and flux of diffusing species over the area of the interface. The internal pressure of the void is determined by application of the Young-Laplace equation, while Henry’s law is used to estimate the concentration of diffusing species adjacent to the void interface. The calculation proceeds for a time equivalent to the integral of the time temperature product required to achieve a 70% cure state of the adhesive, at which point the void interface is immobile. The experimental approach is the same as used previously, with the filled adhesive sandwiched between glass slides and cured on a hot plate while imaged through a microscope. Images are automatically captured and analyzed by using the open source program imageJ, which allows us to track the evolution of individual voids as well as the time dependent distribution of the void population. We are working to correlate these experimental results with the predictions of our finite element calculations to allow us to make insightful choices of adhesives and optimize our bonding processes.


2021 ◽  
Author(s):  
Samantha Brown

This is a guide to identifying ZooMS spectra for mammals using the open-source program mMass (Niedermeyer and Strohalm 2012). This guide is intended as a learning tool for students and researchers at the University of Tubingen and is not meant to replace formal ZooMS marker training. If you use this guide to analyse your ZooMS spectra or to convert your data into an open-source format, please cite this document. For further information contact Dr. Samantha Brown (samantha.brown (at) uni-tuebingen.de)


2019 ◽  
Vol 11 (1) ◽  
Author(s):  
Patrick J. Ropp ◽  
Jacob O. Spiegel ◽  
Jennifer L. Walker ◽  
Harrison Green ◽  
Guillermo A. Morales ◽  
...  

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