Identification of Materials Using XRD Characterization

Department of MCA, RVCE JULY 2014 Page 2 of 60
1.1 Preamble
X-ray powder diffraction (XRD) is a rapid analytical technique primarily
used for phase identification [1] of a crystalline material and can provide
information on unit cell dimensions. The analysed material is finely ground,
homogenized, and average bulk composition is determined [2]. The d-spacing of
each peak is then obtained by solution of the Bragg equation for the appropriate
value of [3]. Once all d-spacings(ds) have been determined, automated
search/match routines compare the ds of the unknown to those of known materials.
Because each mineral has a unique set of d-spacings, matching these d-spacings
provides an identification of the unknown sample [4]. A systematic procedure is
used by ordering the d-spacings in terms of their intensity beginning with the most
intense peak. Files of d-spacings for hundreds of thousands of inorganic compounds
are available from the International Centre for Diffraction Data as the Powder
Diffraction File (PDF).
1.2 Literature Review
T. G. Fawcett et. al [5] studied the possible improvements in material
identification methods through targeted data mining- generic methodology that
can be used with nearly all diffraction data, While the method is new, it is predicted
on using expert knowledge decades old processes by which experts identify and
quantify materials. The advantage of the method is one doesnt have to be an expert
even though being curious and observant helps tremendously.

Maren Kahle et. al [6] studied the review of XRD-based quantitative
analyses of clay minerals in soils: the suitability of mineral intensity factors- the
determination of the types and relative amounts of the minerals present in soil forms
an essential component of most soil characterization efforts and reviews protocols
for XRD based quantitative clay mineral analysis in soils, with emphasis on
methods using mineral intensity factors in combination with the so-called 100%
approach. Methodological differences and characteristic features and give
information about problems, procedural flaws and the comparability of results of
some widely distributed procedures.

James R. Connolly [7] studied the Quantitative X-Ray Diffraction
Methods- analysis of diffraction data usually refers to the determination of
amounts of different phases in multi-phase samples. Quantitative analysis may also
be thought of in terms of the determination of particular characteristics of single
phases including precise determination of crystal structure or crystallite size and
shape. In quantitative analysis, an attempt is made to determine structural
characteristics and phase proportions with quantifiable numerical precision from
the experimental data itself. Though standard patterns and structural data are used
as a starting point, the most successful quantitative analysis usually involves
modeling the diffraction pattern such that the calculated pattern(s) duplicates the
experimental one.

L. A. J. Garvie [8] used the INTERSTRAT -An Expert System to help
indentify interstratified clay minerals from power XRD data- features which
proved most useful in the present system for identifying the XRD traces were: (1)
the knowledge bases together with the inference mechanisms; (2) the ability to
compare the clays identified from more than one state; and (3) the hierarchical clay
text file. It is envisaged that the ability of the system to display the XRD trace under
study and the calculated trace from NEWMOD would be most beneficial in aiding
identification of clay minerals, especially interstratified species.

G. Walenta et. al [9] studied the advances in quantitative XRD analysis
for clinker, cements, and cementitious additions- precise and reproducible
quantification of Portland Cement clinker and Portland Cement (CEM I). It very
effectively determines the sulphate phases gypsum, hemihydrate and anhydrite, as
well as calcite and Portlandite. The results are comparable with those of TGA
analysis, DSC analysis and microscopic analysis. It also provides a precise
quantitative analysis of blast furnace slag and fly ashes, particularly with regard to
the amorphous content. However, the prerequisite for the applicability of the
Rietveld method is an optimised control file that is suited both to the material to be
analysed and to the respective X-ray diffractometer.

Deane K. Smith et al [10] studied the Powder Diffraction File-Past,
Present, and Future- The Powder Diffraction file has been the primary reference
for Powder Diffraction Data for more than half a century. The file is a collection of
about 65 000 reduced powder patterns stored assets of d/I data along with the
appropriate crystallographic, physical and experimental information. This paper
reviews the development and growth of the PDF and discusses the role of the ICDD
in the maintenance and dissemination of the file.

Dr. Shouwen Shen et al[11] studied Use of XRD and XRF Techniques to
Determine the Chemical Composition and Crystallite Size of Metal Matrix
Composite Materials- Eleven composite powders were analyzed using a
PANalytical XPert diffractometer and a WDXRF spectrometer. The WDXRF
element analysis provides invaluable information for the phase identification of the
XRD data of the composite materials.The XRD patterns of all the data sets are
sharp, which indicates that the 11 samples of composite powder are crystalline
material.Some minor elements present in the WDXRF results do not occur in the
phase compositions of XRD data. The reason is probably that the minor elements
replaced the major elements in the form of solid solution. Crystallites of the 11
samples of composite powder are in nano-size, ranging mostly from 20 nm to 200
nm.T.
Theivasanthi et. al [12] The X-Ray Diffraction Studies of Copper
Nanopowder- A new method, electrolytic cathode deposition has been applied in
Copper Nanopowder preparation and successfully completed the entire process.
Based on this study, some other nanopowder may be prepared in future.

1.3 Problem statement
The aim of this work to develop the expert system for identification of elements
provide auto search match for elemental identification, no validity issues, user
friendly interface and logical explanation of every sample is being matched.
Automatic search option is not present in many of the software packages so the
researcher has to manually match the diffraction peaks of samples against
standard diffraction peaks from database.
The accuracy of identification is based on the experience of researcher in the
past, in current scenario many software packages with database are developed
in this regards such as International Centre for Diffraction Data (ICDD) in name
of PDF 4+, Search Match, JADE, Win-XRD identifying the Crystal Structure
and Composition of samples being tested.
The software packages for XRD analysis use combining material analysis with
a search on the experimental data Use element and composition searches, Use
4 most intense d-spacing and 4 longest d-spacing to match, point and click on
the matching entry to compare a full pattern to your data. Software packages for
XRD analysis are not customized to user requirements and not economical for
any researcher.

Scope
Identification: The most common use of powder (polycrystalline) diffraction is
chemical analysis. This can include phase identification
(search/match), investigation of high/low temperature phases, solid
solutions and determinations of unit cell parameters of new
materials [13].
Polymer
crystallinity:
A polymer can be considered partly crystalline and partly
amorphous. The crystallinity parts give sharp narrow diffraction
peaks and the amorphous component gives a very broad peak
(halo). The ratio between these intensities can be used to calculate
the amount of crystallinity in the material [14].
Residual stress: The principals of stress analysis by the X-ray diffraction is based
on measuring angular lattice strain distributions. That is, we choose
a reflection at high 2-Theta and measure the change in the d-
spacing with different orientations of the sample. Using Hookes
law [15] the stress can be calculated from the strain distribution.
Texture
analysis:
The intensity of a given reflection (h, k, l) is proportional to the
number of h, k, l planes in reflecting condition (Braggs law).
Hence, the pole figure gives the probability of finding a given
crystal-plane-normal as function of the specimen orientation [15].
If the crystallites in the sample have a random orientation the
recorded intensity will be uniform.

1.4 Methodology
The focus of the method is to use information that the user typically has in
their possession to data mine the established descriptive statistics within the
relational database can be applied to two or more experimental observations to
derive unique phase identification.
This allows the user to use a minimal set of parameters that they derive from the
diffraction experiment to identify an unknown.
There are three general categories of information used in the method
Category 1: Typical information derived from a diffraction pattern
Category 2: Information that can be derived or calculated from an analysis of the
pattern
Category 3: Typical Information that may be known by the user
This software has been built using the Rapid Application Development
(RAD) SDLC approach [16]. RAD is a concept with which the products can be
developed faster and of higher quality. This approach focuses on

Figure 1.1 RAD Model for DMK-XRD Software

Combining the best available techniques in proper sequence to make them
effective
Following the prototyping techniques
Using appropriate tools
Re-using of software components/modules
A rigidly paced schedule that defers design improvements to the next product
version

1.5 Technical Features
Identifies the Material accurately
Built using the latest technologies like Windwos Presentation Foundation
(WPF) , Microsoft Researchs D3 (Dynamic Data Display) Package
Provision for Insertion of new materials into the database
Provision for updating an existing material
Clean Interface with appealing Graphics and UX

1.6 Platform/Tools Used
Front End
Windows Presentation Foundation - Windows Presentation Foundation (WPF)
is a next-generation presentation system for building Windows client
applications with visually stunning user experiences. With WPF, you can create
a wide range of both standalone and browser-hosted applications.
Windows Forms (WinForms) - is the name given to the graphical application
programming interface (API) included as a part of Microsoft .NET Framework,
providing access to native Microsoft Windows interface elements by wrapping
the extant Windows API in managed code.
Back End
Microsoft Visual C# 2012 - C# is built on the syntax and semantics of C++,
allowing C programmers to take advantage of .NET and the common language
runtime. C# is intended to be a simple, modern, general-purpose, object-
oriented programming language. Its development team is led by Anders
Hejlsberg.
Microsoft SQL Server 2012 A Relational Database Management system
developed by Microsoft.
Tools
Microsoft Visual Studio Premium 2012 - is an integrated development
environment (IDE) from Microsoft. It is used to develop computer programs for
Microsoft Windows superfamily of operating systems, as well as web sites, web
applications and web services.
Microsoft SQL Server Management Studio 2012 - is a software application first
launched with the Microsoft SQL Server 2005 that is used for configuring,
managing, and administering all components within Microsoft SQL Server.
Framework
Microsoft .NET Framework 4.5 - A programming infrastructure created by
Microsoft for building, deploying, and running applications and services that
use .NET technologies, such as desktop applications and Web services.
The .NET Framework contains three major parts:
- the Common Language Runtime
- the Framework Class Library
- ASP.NET.
Planning tool
Gantt Project It is a cross-platform desktop tool for project scheduling and
management written in Java. It runs on Windows, Linux and Mac OSX, it is
free and its code is open source. It is an alternative to Microsoft Project. Its
Features include Gantt chart, Resource load chart, PERT chart, Microsoft
Project compatibility, Export to PDF, HTML and CSV.
Documentation Tool
Microsoft Office It is a suite of desktop applications for Mac and windows.
The suite contains a word processor (Word), spreadsheet (Excel), presentation
program (Power point) and a freeware note taking program (one note).

1.7 Timeline
Expected Duration for Completion of the project is approximately 5
months which is divided into the different modules viz. Initiation, planning,
analysis, Implementation, testing, and documentation.
The first is the Initiation phase in which the problem is defined and then
the internal guide and the external guide for the project is assigned, then comes
the planning phase, wherein how the project will be carried out during the
course of 18 weeks needs to be planned. In the analysis phase, the requirements
are gathered. Next is the Implementation phase.
Since this project is implemented using the RAD model, the
implementation comprises of various iterations, each of which is further divided
into prototyping, build and refinement phase.
Figure 1.2 PERT Chart for the development of DMK-XRD v2.0
Figure 1.2 shows the time line of the project. This chart has been created
using the Gantt Project tool, which is a free and open source project scheduling
tool based in java. The timeline is organized in terms of weeks. The total
duration of the project is 20 weeks.
For each phase the start date, end date and number of days has been
mentioned also the dependencies among different phases have been represented.
A phase cannot begin before the completion of its preceding phase.

Dissertation organization
Chapter 2, Project Description explains Theory and concept relevant to
the project including details of process technology, theoretical, experimental
principles, analytical models and numeric models based on the project type.

Chapter 3, Software Requirement Specifications concentrates on brief
description of the product components and features, provides an overview of the
system functionality and system interaction and introduces users and their
interaction with the system. Further definition the overall product and the system
constraints and assumptions about the product are given.

Chapter 4, Design Specification describes the module specifications and
their functionalities, data flow diagrams, structure chart and design of the project.

Chapter 5, Testing and Results explains the various Test methods that
are adopted with some test cases and their results, states the outcome of carrying
out this work. It explains how the system has helped to overcome the problem that
existed with earlier approach and it also provides details regarding the next release
and its importance in the current system, which are currently not part of this project.
All the references and publication considered for project completion are mentioned.


Science & Technology component of the Project
English physicists Sir W.H. Bragg and his son Sir W.L. Bragg [17]
developed a relationship in 1913 to explain why the cleavage faces of crystals
appear to reflect X-ray beams at certain angles of incidence (theta, ). The variable
d is the distance between atomic layers in a crystal, and the variable lambda is the
wavelength of the incident X-ray beam; n is an integer. This observation is an
example of X-ray wave interference commonly known as X-ray diffraction (XRD),
and was direct evidence for the periodic atomic structure of crystals postulated for
several centuries. The Braggs were awarded the Nobel Prize in physics in 1915 for
their work in determining crystal structures beginning with NaCl, ZnS and
diamond.

Braggs Law
Although Bragg's law was used to explain the interference pattern of X-rays
scattered by crystals, diffraction has been developed to study the structure of all
states of matter with any beam, e.g., ions, electrons, neutrons, and protons, with a
wavelength similar to the distance between the atomic or molecular structures of
interest [18].

Figure 2.1 Pictorial Representation of X-Ray Diffraction

Where
n is an integer determined by the order given, and
is the wavelength. d-spacings and lattice parameters

Bragg diffraction occurs when electromagnetic radiation or subatomic
particle waves with wavelength comparable to atomic spacings are incident upon a
crystalline sample, are scattered in a specular fashion by the atoms in the system,
and undergo constructive interference in accordance to Bragg's law. For a
crystalline solid, the waves are scattered from lattice planes separated by the inter-
planar distance d. Where the scattered waves interfere constructively, they remain
in phase since the path length of each wave is equal to an integer multiple of the
wavelength. The path difference between two waves undergoing constructive
interference is given by 2dsin, where is the scattering angle. This leads to Bragg's
law, which describes the condition for constructive interference from successive
crystallographic planes (h, k, and l, as given in Miller Notation)

of the crystalline
lattice [19]:

Figure 2.2 Peak Width - Full Width Half Maximum
Millers Indices

The Miller indices are defined with respect to any choice of unit cell and not
only with respect to primitive basis vectors, as is sometimes stated. In particular, a
family of lattice planes is determined by three integers h, k, and , the Miller indices.
They are written (hk), and each index denotes a plane orthogonal to a direction (h,
k, ) in the basis of the reciprocal lattice vectors [20]. The XRD is used to:
Measure the average spacings between layers or rows of atoms
Determine the orientation of a single crystal or grain
Find the crystal structure of an unknown material
Measure the size, shape and internal stress of small crystalline regions
Phase Identification
One of the most important uses of XRD
Obtain XRD pattern
Measure d-spacings
Obtain integrated intensities
Compare data with known standards in the JCPDS file, which are for random
orientations (there are more than 50,000 JCPDS cards of inorganic materials).

Figure 2.3 Diffraction Angle of NaCl Powder

3.1 Introduction
The chapter includes the software requirement specifications [21] followed by
a brief description of the product components and features, provides an overview of the
system functionality and system interaction and introduces users and their interaction
with the system. Further definition of the overall product and the system constraints
and assumptions about the product are given.
Definitions, Acronyms and Abbreviations

X-Ray
Diffraction
The atomic planes of a crystal cause an incident beam of X-rays
to interfere with one another as they leave the crystal. The
phenomenon is called X-ray diffraction [22].
Braggs Law An X-ray incident upon a sample will either be transmitted, in
which case it will continue along its original direction, or it will
be scattered by the electrons of the atoms in the material. All the
atoms in the path of the X-ray beam scatter X-rays. We are
primarily interested in the peaks formed when scattered X-rays
constructively interfere. (In addition, after scattering some X-rays
suffer a change in wavelength. This incoherent scattering is not
considered here) [23].
DMK-XRD Is the name given to the software package developed during this
course, it is named in the honor of my external guide,
Dr. M. Krishna, Director, Department of R&D, RVCE.
IDE Integrated Development Environment
RAD Rapid Application Development
MSSMS Microsoft Studio Server Management System
D3 Dynamic Data Display
WPF Windows Presentation Foundation
XRD X-Ray Diffraction
PDF Powder Diffraction File
ICDD International Center for Diffraction Data
JCPDS Joint Committee on Powder Diffraction Standards

Overview
The proposed software DMK-XRD, is a tool for identification of materials
using XRD characterization. The software should be accurately identify the materials
for the given input files, the input files are the output generated by the XRD machine
for a crystal sample. The software should also have provision for adding new materials
found, to the database and also facilitate updating the existing materials in the database.
The software should be easy to understand and use.
3.2 General Description
Product Perspective
DMK-XRD v2.0 defines a new benchmark for phase analysis by making
interpretation of one- and two-dimensional XRD data easier, faster, and more
accurate than ever. Its an integrated, comprehensive suite for researchers, faculties
and students of science. Most remarkable is DMK-XRDs complete collection of
the best algorithms for data integration and evaluation, blended with a new and
innovative design and operation concept for maximum simplicity and flexibility.

Product Functions
The application has the following functionalities
Browse through the file explorer and load the file
Read the File fed input file and perform I/Imax calculations
Analyses the material based on the d-spacings and Intensities
Insertion of new material into the database
Search the material from the database
Updating the selected existing material
Print the Graph
Screenshot of the graph
Zoom In/Out of Graph
Pan the Graph

User Characteristics
Student/Faculty: is expected to be Windows literate and to be able to use
button, navigate around windows explorer, and similar tools.
Researcher/Admin: is also expected to be Windows literate and to be able
to use button, navigate around windows explorer, and similar tools. Must
also be able to use the search engine.

General Constraints
The software has to be designed using the .NET 4.0 or above framework
because, it is required to make use of the Microsoft researchs D3 package, which
is only compatible with .net framework 4.0 or higher.
Assumptions and Dependencies
It is assumed that the database is available or loaded on the users system. Also,
it is assumed that the database software has been configured on the clients
system to work with the software i.e. the paths have been set right in the
software.
It is also assumed that the user only inputs the .txt file as specified in the
annexure C of this report.

3.3 Functional Requirements Specification
The following are the functions in the proposed system:
Analyze Material
Generate Graph
Insert
Update

Analyze Material
Input
This functionality satisfies the primary objective of the software to identify the
given material based on the input graph. The graph generated is read as input
for this fuction.
Processing
Before this use case can be initiated, the generate graph function has to be
completed successfully
This function is triggered when the user clicks on the Analyze button
Before calling the main functionality, the no. of peaks and the percentage
allowance textboxes values needs to be entered.
It takes the peak value and then runs the search/match algorithm in the
database with the hkl values to find a match in material.
If the match is found, then its properties of the material are returned by the
database.
Output
If the match is found in a data base, then a new window displaying all the
properties of the matched materials has to be displayed.


Generate Graph
Input
The objective of this function is to generate the graph based on the given input
text file.
Processing
Before this can be initiated, the load function has to be performed
This function is triggered, after successfully reading the Intensities and 2
theta values from the input file
Imax value in found out.
All the I is divided by Imax, to give I/Imax values
These values are stored in a var type
Output
The graph is to be displayed based the values read through the file.

I nsert Module
Input
This module allows the user to insert the particulars of a new material like
atomic symbol, weight, density, space group etc.
Processing
When the user clicks on the insert button, a new WPF form pops up to accept
the particulars of the new material
The user has to enter the details into the form and press insert button
Upon hitting the save button, the form data are inserted into the database
Output
Display a suitable message regarding the success or failure of insertion to the
database, Return 1 after successful insertion, else 0
Update Module
Input
This module allows the user to update the particulars of an existing material in
the database.
Processing
Before this module can be initiated, search module needs to be completed.
The WPF form pops up, displaying the details of the selected element in
from the search window
The user has to edit the necessary details into the form and press insert
button
Upon hitting the update button, the form data are updated accordingly in
the database
Output
Display a suitable message regarding the success or failure of insertion to the
database, Return 1 after successful insertion, else 0

3.4 External Interfaces Requirements
User I nterfaces
The Software must have a provision to Pan and zoom in/out of the
graphs. The zoom in into the selected are of graph. There should be a provision
to make use of this functionalities using the Keyboard shortcuts. The peaks must
be differentiated from the lines maybe with the use of color [26].

Hardware I nterface
Storage Space: 100 MB
Processor: 1 GHz or faster 32-bit (x86) or 64-bit (x64)
Memory: 512 MB RAM
Software I nterface
Operating System: Windows XP Professional or Higher
Database: MS-SQL Server Database

3.5 Performance Requirements
The Software should be fast, responsive
It should be able to process thousands of records
Produce results in a reasonable amount of time, maximum 20 seconds.

3.6 Design Constraints
Standard Compliance
The UX should be in accordance with the Windows UX, the buttons boxes and
other tools must have same meaning as in windows user experience.
Design and develop graphics and images that present complex data and
analytical information in a creative and visual way that engages its audience.

The Software Design Document is a document to provide documentation which
will be used to aid in software development by providing the details for how the
software should be built. Within the Software Design Document are narrative and
graphical documentation of the software design for the project including use case
models, sequence diagrams, collaboration models, object behaviour models, and other
supporting requirements information [27].
Purpose
The purpose of the Software Design Document is to provide a description
of the design of a system fully enough to allow for software development to proceed
with an understanding of what is to be built and how it is expected to be built [28].
The Software Design Document provides information necessary to provide
description of the details for the software and system to be built.
Scope
This Software Design Document is for a base level system which will work
as a proof of concept for the use of building a system that provides a base level of
functionality to show feasibility for large scale production use [29]. This Software
Design is focused on the base level system and critical parts of the system. For this
particular Software Design Document, the focus is placed on generation of the
documents and modification of the documents. The system will be used in
conjunction with other pre-existing systems and will consist largely of a document
interaction facade that abstracts document interactions and handling of the
document objects.
4.1 Architectural Design

A three-tier architecture is a client-server architecture in which the functional
process logic, data access, computer data storage and user interface are developed and
maintained as independent modules on separate platforms. Three-tier architecture is a
software design pattern and a well-established software architecture [30].
Three-tier architecture allows any one of the three tiers to be upgraded or
replaced independently. The user interface is implemented on a desktop PC and uses a
standard graphical user interface with different modules running on the application
server. The relational database management system on the database server contains the
computer data storage logic. The middle tiers are usually multitiered [31].
The three tiers in a three-tier architecture are:
1. Presentation Tier: Occupies the top level and displays information related to
services available on a website. This tier communicates with other tiers by
sending results to the browser and other tiers in the network.
PRESENTATION
LOGIC

DATA

WPF
Database
Stored
Procedures
Controller
classes
Figure 4.1- 3-Tier Architecture for the Application
2. Application Tier: Also called the middle tier, logic tier, business logic or logic
tier, this tier is pulled from the presentation tier. It controls application
functionality by performing detailed processing.
3. Data Tier: Houses database servers where information is stored and retrieved.
Data in this tier is kept independent of application servers or business logic.

Problem Specification
To design a software to help identify the given materials XRD characterization
i.e. the two theta and the intensities values.
Block Diagram

The system has the following modules, Analyze, Insert and Update. The flow
of the application is goes something like this, from the main window the user can
choose to load a file or if the user is an admin user, then he may choose to login. If the
Figure 4.2 Block diagram of the DMK-XRD
load option is selected, then a window pops up asking for the input file, after
successfully reading the file the graphs are generated. The user then enters the peak and
percentage of allowance, in the range of 1-10. On clicking on analyze, the peaks are
identified and the d-spacings are computed, then the algorithms search/match the
pattern from the database. If match is found, the result windows displays the particulars
of the identified material.
Data Dictionary
Table 4.1 Data Dictionary
Table Name Field Name data type allow
nulls
Field
Description
Component
ComponentID int no Primary key
StructureID int no Foreign key
AtomicNo int yes Atomic no of
the element
Element nvarchar(50) yes Name of the
element
Symbol
AtomsPerCell int yes Denotes no. of
cells per atom
AtomicWeight decimal(18,4) yes indicates the
atomic weight
Density decimal(18,4) yes density of the
material in
g/cm
3

AtomicRadius decimal(18,4) yes Radius of the
atoms
SpaceGroup nvarchar(MAX) yes denotes the
space group the
element
belongs to.
MolWt nvarchar(MAX) molecular
weight
CrystalData_a nvarchar(MAX) yes
CrystalData_b nvarchar(MAX) yes
CrystalData_c nvarchar(MAX) yes
CrystalData_alpha nvarchar(MAX) yes
CrystalData_beta nvarchar(MAX) yes
CrystalData_gamma nvarchar(MAX)
CrystalData_vol nvarchar(MAX) yes volume of the
crystal
CrystalData_cbya nvarchar(MAX) yes c/a
CrystalData_abyb nvarchar(MAX) yes a/b
CrystalData_cbyb nvarchar(MAX) yes c/b
Reference nvarchar(MAX) yes reference
Comments nvarchar(MAX) comments(if
any)
ComponentData
ComponentDataID int no Primary key
ComponentID int no Foreign key
TwoTheta numeric(18,4) yes angle of
diffraction
h numeric(18,4) yes
k numeric(18,4) yes
l numeric(18,4) yes
d numeric(18,4) yes d-spacings
RelIntensity numeric(18,4) yes Relative
Intensities
Structure
StructureID int no PK
StructureType nvarchar(50) no FK

Module specification
Module 1: Analyze Material
This module satisfies the primary objective of the software to identify the given
material based on the input graph. If the match is found in a data base, then a
new window displaying all the properties of the matched materials has to be
displayed.
Module 2: Generate Graph
The objective of this function is to generate the graph based on the given input
text file.
Module 3: I nsert Module
This module allows the user to insert the particulars of a new material like
atomic symbol, weight, density, space group etc Display a suitable message
regarding the success or failure of insertion to the database.
Module 4: Update Module
This module allows the user to update the particulars of an existing material in
the database. Display a suitable message regarding the success or failure of
update to the database

4.2 System Design
The static and stable phenomena in the modelled domain are represented by the
object model. The main concepts in object model are classes and associations with
respect to attributes and operations. Aggregation and generalization (with multiple
inheritances) are the predefined relationships [33].
The dynamic model can be used to represents a state/transition view of the
model. Main concepts in dynamic model are states, transitions between states, and
events to trigger transitions [34].
The process perspective of the model is handled by the Functional model,
corresponding to data flow diagrams and its main concepts are process, data store, data
flow, and actors [35].
Object Modelling
Class Diagram
In the developed software, DMK-XRD v2.0 the above represented
classes are the major classes. Main window acts as the home screen, it contains
four methods for four menu items load, analyse, insert and update.
MainWindow() instantiates the insertWindow() and UpdateWindow()
whenever the user clicks on the corresponding button. DataInfo is the user
defined type(similar to structure). The objects of all the classes calls relevant
function of the msdbHelper classes, which comprises the business logic of the
software, which in turn calls the relevant stored procedures from the MS-SQL
server [36].
Figure 4.3 Class Diagram Representing Major Classes of DMK-XRD
Dynamic modelling
Use case diagram

The various use cases in the DMK-XRD are generate graph, analysing
the material, insertion of new element, updating the existing element from the
database, printing the output and panning and zooming feature.
In this software student/faculty and Researcher/Admin are the only
actors. The various use cases are mentioned above. The only difference
between these actors are, the researcher/admin have the privileges to insert or
update the existing elements in the database whereas the student/faculty doesnt
since they are primarily interested in the identification and are not involved in
the experimentation with the new materials.
Figure 4.4 Use Case Diagram for DMK-XRD
Sequence diagram

A sequence diagram is used to show mainly how different objects
interact within a system in a sequence of steps [38]. The user loads an input file,
the graph is generated. Once the user click enters peaks & allowance the codes
checks the database for a match in the pattern, if a match is found the results are
displayed to the user.

Figure 4.5 Sequence Diagram for DMK-XRD
Activity
In the developed software, the flow of activities is something like shown
above figure. Initially the input file needs to be provided, on sucessfully reading
it, the graph is generated. Next user can choose to analyze the gaph after
enetering the peaks & allowance, else he may insert or update the existing
element or simply choose to print the generated graph.
Figure 4.3 Activity Diagram
Figure 4.6 Activity Diagram for DMK-XRD
State machine diagram
This diagram describes the various states of the components of the
system. The states are specific to a component/object of the system [39]. The
different states are controlled by the occurrence of events that may be internal
or external to the system. This diagram describes the various states of the
components of the system. The states are specific to a component/object of the
system. The different states are controlled by the occurrence of events that may
be internal or external to the system.

Figure 4.4 State Machine Diagram
Figure 4.7 State Machine Diagram for DMK-XRD
Functional Modelling
In understanding the requirements of the software, the functions required by the
user will be identified. All the functions process information in some way in the system.
Basically input, output and process represent the flow or transformation of information.
Data flow diagram is graphical representation of functional modelling.
Data Flow diagrams:
Data flow diagram popularized for structured analysis and design. DFDs show
the flow of data from external entities into the system, showed how the data moved
from one process to another, as well as its logical storage [8]. Data Flow diagram for
DMK-XRD is depicted in figure 4.8 to figure 4.13, having different levels.
Context Level Data Flow Diagram:
In context level data flow in figure 4.8 displays the early application in the
closing stages of user perceptive; context level doesnt give the details about the process
in every module and makes it abstract. Context level figure shows only one process
which is described in detail in next level of data flow diagram.

Status
Input file

User

User should be able
to analyse, insert
and update the
material
0

DMK-XRD
Figure 4.8 Context level DFD for DMK-XRD
First-Level DFD
This level shows the context of the system in a more detailed fashion than the
zero-level DFD and shows the whole system as collection of sub-processes.

Figure 4.9 first level data flow diagram shows the systems primary process,
data stores, sources and destination are linked by data flows. Generally, systems
primary processes are independent, and thus separated from each other by intermediate
data stores that suggest the data are held in some way between processes.

Search material

2theta, Intensity
values
Username,
Password
Admin
User
Update
Insert
Status
Analyze
User should able to
analyze, insert, and
update existing element
1.1
Login
Authenticatio
n
1.4
Update an
existing
1.2
Identify the
material
1.3
Insert new
material
Figure 4.9 First Level DFD for DMK-XRD v2.0
Second-Level DFD
Module 1: Login Authentication
In the second level data flow diagram each module and their process is explained. There
are four modules and each module has different process.

Figure 4.10 shows the login authentication of the DMK-XRD Application. User enters
the email id and password this values are check against the database value. On
successful authentication the insert and update feature of the application gets
activated and are accessible to the user.
Module 2: Analyze the material

Username,
Passoword

Status Login 2.2
Activate the
insert and
update button
Admin
User
User Database
2.1

Accept username
and Password
Figure 4.10 Second Level DFD for Login Authentication
Input File
Successful
match

Analyze
Search/match pattern
DMK-XRD Database
2.5
compute the
peaks and d-
spacings
2.6

Display the
Identified
material
Figure 4.11 Second level DFD for Analyze module
Figure 4.11 represents the analyzing the material module. This module is used to
identify the materials for the given input file, first the peaks and d-spacings of the input
needs to be analysed based on the graph, this d-spacings is like the fingerprint of the
material, based on this fingerprint we need to search/match the database for a possible
match. If found, the particulars of the matched material is returned.
Module 3: Insert New Material
Figure 4.11 represents the Second level DFD for the Insertion Module. Here,
when then user clicks on the insert button a form pops up wherein the user can enter
the values and click on insert. On successfully entering into the database a message box
is displayed confirming the insertion.
Module 4: Update New Material
Figure 4.12 represents the Second Level DFD for updating the existing material
from the database. From the main window when the user clicks on the update button a
search window pops, the user can search for the element he wishes to edit by entering
the atomic number or symbol. Then select the element if present, on double clicking
the element in the search window, a new form pops up with the particulars of the
selected element. The user make the necessary changes in this form and upon clicking
the insert button, the entries are updated in the database.
Return 1 on successful
insertion
DMK-XRD Database
Insert
2.7
Display new
material insertion
form
Figure 4.12 Second Level DFD for Insert Module

4.3 Detailed Design
As a core engineering process, detailed design transforms concept alternatives,
preliminary physical architectures, design specifications, and technical requirements
into final, cross-disciplinary design definitions. These designs are further refined and
all accompanying documentation required for manufacturing is completed in order for
timely delivery to the customer of a fully defined, complete product [43]. Detailed
design also provide information needed for a system development tam to actually build
and integrate the hardware components, code and integrate the software modules, and
interconnect the hardware and software segments into a functional product.
Design decisions
Partition application logically: Use layering to partition application logically
into presentation, business, and data access layers. This helps to create maintainable
code and allows to monitor and optimize the performance of each layer separately.
The application follows the Three-tier architecture allows any one of the three
tiers to be upgraded or replaced independently. The user interface is implemented on a
desktop PC and uses a standard graphical user interface with different modules running
on the application server. The relational database management system on the database
server contains the computer data storage logic. The middle tiers are usually
multitiered.
Update the changes
Fetch selected item particulars
Fetch all elements
Update
DMK-XRD Database
2.5
Display
Search
Window
2.6

Accept the
changes to the
materials and
Figure 4.13 Second Level DFD for Update Module

5.1 Testing
Functional testing is a quality assurance (QA) process and a type of
black box testing that bases its test cases on the specifications of the software
component under test [40]. Functions are tested by feeding them input and
examining the output, and internal program structure is rarely considered (not
like in white-box testing). Functional Testing usually describes what the system
does. Functional testing differs from system testing in that functional testing
"verifies a program by checking it against design documents or specifications",
while system testing "validates a program by checking it against the published
user or system requirements".
Functional testing typically involves five steps:
The identification of functions that the software is expected to perform
The creation of input data based on the function's specifications
The determination of output based on the function's specifications
The execution of the test case
The comparison of actual and expected outputs
To check whether the application works as per the customer need.

Table 5.1 Test Conditions and Expected Results (TCER)
Scenario
ID
Sub-
Scenario
ID
Description
Test
ID
Test
condition
Expected
Results
1 Load Input File Functionality
1.1 Open File
Explorer Dialog
box upon click
1.1.1 N/A Dialog box
should pop up
1.2 The dialog box
should by default
point to recently
used file location
1.1.2 Recently
used file
location
The dialog box
should point to
Recently used
location
1.3 The user should
only be select .txt
files
1.1.3 N/A dialog box
should list only
.txt files & type
of files should
be restricted to
.txt
1.4 Display the
selected input
file
1.1.4 Selected file
name &
path
The file
selected should
be displayed in
the top corner
of the graph
2 Graph UI Functionality
2.1 Zoom in into the
graph
2.2.1.a Mouse
wheel up on
the plotter
area
Zoom in
2.2.1.b Press +
button
Zoom in
2.2.1.c Press Ctrl +
drag mouse
Select an area to
zoom in
2.2.1.d Press Shift
+ drag
mouse
Select an area
with current
aspect ratio
2.2 Zoom out of the
graph
2.2.2.a Mouse
wheel down
in the
plotter area
Zoom out
2.2.2.b Press +
button
Zoom in
drag mouse
Select an area
2.3 Pan the Graph 2.2.3.a Press the
arrow keys
Pan in selected
direction
2.2.3.b Mouse drag Pan the graph
area
2.4 The peaks must
be in different
color than the
line
2.2.4 N/A Peaks must be
red
2.5 The user should
be able to restore
the original size
of the graph
easily
2.2.5.i Press home
button
Graph should
be restored to
original size
2.2.5.ii Right click
Fit to
View
Graph should
be restored to
original size
2.6 Values of the
graph must
displayed
2.2.6 Hover
mouse on
the graph
2tetha and Imax
values must be
displayed as
tooltip
3 Analyze module
(Display the identified material)
3.1 If material is
identified
3.3.1 Test file 1 Display the
properties of the
identified
material in a
new window
3.2 If material is not
identified
3.3.2 Test file 11 Display not
found
4 Insert Module
(Insert a new material into the database)
4.1 Load the Insert
form on clicking
the insert button
4.4.1 N/A Open insert
form window
4.2 On click
SAVE
4.4.2 N/A Insert values
into the
database
4.3 On click EXIT 4.4.3 N/A Close the
Window
5 Peaks and Allowance
(Accept only valid input)
5.1 No. of Peaks
should take
values not more
than 100
5.5.1.a 1-99 Accept
5.5.1.b 100 Do not accept.
Display suitable
message
5.2 Allowance
should be in the
range of 1-10%
5.5.2.a 1-10 Accept
5.5.2.b -ve / >10

Do not accept.
Display suitable
message
6 Update Document
(update the existing element in the database)
6.1 Display the
particulars of the
selected element
for updatation,
6.6.1 Item
selected
from the
search
window
Must correctly
display the
particulars in
the update form,
as it is in the
database
6.2 The insert
button must be
disabled
6.6.2 -NA- The insert
button is
blurred out and
in inactive state
6.3 On click exit
button
6.6.3 -NA- Close the
window
6.4 Verify whether
the updates are
correctly
occurring
6.6.4 Values
appended in
the form
Verify the
appended vales
are correct in
the database

5.2 Defect Report
The Defect report gives us the details regarding the failure or successes of the
test cases that are tested. Based on this report we could recognise the errors, bugs or
defects in the system and hence make the necessary changes. This document comprises
of the following columns [41].
Test Condition ID this number references the test condition in the TCER
Test condition this denotes the condition being tested
Expected results this signifies the results that are expected out of this test case
Result Pass/Fail are the two values in this column, Pass signifies that the
observed results matches with the expected results, whereas Fail signifies
otherwise.
Actual Results If the result is Pass, then the entries in this row may be omitted.
If the result is Fail for a particular test case, then the observed result has to be
recorded in this section, the actual results are helpful in finding the reason
behind the failure of a test case.
Resolution In this column, the action taken to resolve the failure of test case
are mentioned
Table 5.2 Defect Report for the Test Conducted
Test ID Test condition Expected
Results
Result Actual Results Resolution
1.1.1 N/A Dialog box
should pop up
Pass Dialog box
should pops
up
Not required
1.1.2 Recently used
file location
The dialog
box should
point to
Recently used
location
Pass The dialog
box is
pointing to
Recently used
location
Not required
1.1.3 N/A dialog box
should list
only .txt files
& type of
Pass Only the .txt
are listed and
also there is
Not required
files should
be restricted
to .txt
no provision
of all files.
1.1.4 Selected file
name & path
The file
selected
should be
displayed in
the top corner
of the graph
Pass Displaying
the label
Not required
2.2.1.a Mouse wheel
up on the
plotter area
Zoom in Pass zooming in
Not required
2.2.1.b Press +
button
Zoom in Pass Zooming in
Not required
drag mouse
Select an area
to zoom in
Pass Working fine
Not required
2.2.1.d Press Shift +
drag mouse
Select an area
with current
aspect ratio
Pass Working fine
Not required
2.2.2.a Mouse wheel
down in the
plotter area
Zoom out Pass Zooming out
Not required
2.2.2.b Press +
button
Zoom in Pass Zooming in
Not required
drag mouse
Select an area Pass Working fine
Not required
2.2.3.a Press the
arrow keys
Pan in
selected
direction
Pass Working fine
Not required
2.2.3.b Mouse drag Pan the graph
area
Pass Working fine
Not required
2.2.4 N/A Peaks must
be red
Pass Peaks are in
red

2.2.5.i Press home
button
Graph should
be restored to
original size
Fail Doesnt
restore the
graph
Resolved by
adding
onHomePres
s() method
2.2.5.ii Right click
Fit to View
Graph should
be restored to
original size
Pass Getting
restored to the
original size
Not required
2.2.6 Hover mouse
on the graph
2tetha and
Imax values
must be
displayed as
tooltip
Fail Displaying
wrong values
Resovled
3.3.1 Test file 1 Display the
properties of
the identified
material in a
new window
Pass Displaying
the properties
of the
materials.
Not required
3.3.2 Test file 11 Display not
found
Pass Okay
Not required
4.4.1 N/A Open insert
form window
Pass Opening
Not required
4.4.2 N/A Insert values
into the
database
Fail Not Inserting
into database Resolved
4.4.3 N/A Close the
Window
Fail Closing the
MainWindow
too.
Resolved by
using this
pointer
5.5.1.a 1-99 Accept Fail Accepting out
of range
values
Resolved by
adding
validations
5.5.1.b 100 Do not
accept.
Display
Fail Not
Displaying
message
Resolved by
adding
suitable
message
MessageDial
og box
5.5.2.a 1-10 Accept Fail Accepting out
of range
values
Resolved by
adding
validations
5.5.2.b -ve / >10

Do not
accept.
Display
suitable
message
Fail Not
Displaying
message
Resolved by
adding
MessageDial
og box
6.6.1 Item selected
from the
search
window
Must
correctly
display the
particulars in
the update
form, as it is
in the
database
Fail Entries are
getting
displayed in
the wrong
boxes
Resolved
6.6.2 -NA- The insert
button is
blurred out
and in
inactive state
Pass The insert
button is
inactive and
blurred out
Not required
6.6.3 -NA- Close the
window
Pass Closing the
window
Not required
6.6.4 Values
appended in
the form
Verify the
appended
vales are
correct in the
database
Fail Values are
getting
wrongly
updated
Resolved

5.3 Results
Result 1: Main window of the Software

Figure 5.1 is the primary window of the software, this is shown whenever
the user loads the software or executes it. The main window consists of the Graph
Plotter (large lemon green area), on the left it has menu bar consisting of different
buttons for different functionalities like loading the input file (Load), inserting new
material data into database (insert), to analyze the graph/material (analyze), and
update button to append the existing material values in the database. It also has two
textboxes on the top to accept the no. of peaks and percentage of allowance allowed
during the analysis.

Figure 5.1 Main Window of the DMK-XRD

Result 2: File load Dialog box

Figure 5.2 is the file load dialog box, which pops up when the user clicks on
the Load button from the menu. This dialog box is used to fetch the file of the .txt format
as the input for the software. This dialog box allows us the browse through the entire
windows directory using the windows file explorer, since users are familiar with this.
the file load dialog box, which pops up when the user clicks on the Load button from
the menu. This dialog box is used to fetch the file of the .txt format as the input for the
software. This dialog box allows us the browse through the entire windows directory
using the windows file explorer, since users are familiar with this
Figure 5.2 File Load Dialog box
Result 3: A sample generated graph
Figure 5.3 shows the sample graph for a sample input file. The Graphs can be
zoomed in and out, it can be panned, and also it features the tooltip functionality which
displays the values of the graph on hover. On the top right corner of the plotter the label
indicates the input file for which the graph is shown.

Result 4: Result window displaying the properties of the matched material
Figure 5.4 represents the result window, which pops up whenever there is a
match between the given input material and a stored materials in the database. It shows
in the form of horizontally scrollable window, which displays the various properties of
the material.
Figure 5.3 A Generated Graph for a Sample Input

Result 5: New material insertion
Figure 5.5 represents a WPF form appears whenever the user clicks on the
Insert button from the menu and upon successful authentication, which contains several
Figure 5.4 Result window for identified material
Figure 5.5 New Material Insertion Form
labels along with textboxes, this form is used to enter a new material into the database,
remember only the admin has the access for insertion.

Result 6: Search window

Figure 5.6 shows the search window, this windows pops up when the user
clicks the update button form the menu pane. In the search window the user find the
material he wishes to edit by simply keying in the atomic number or the full or partial
element name or just the symbol of the element in the search box. Once the user click
on search button , it return the matching elements. The user can then choose to
element to view the particulars of that element.
Figure 5.6 Materials Search window

Result 7: Update window
Figure 5.7 represents an Update window, which is displayed when the user
clicks on the update button from the menu and upon successful authentication as an
admin, the user selected material data is fetched and displayed in the corresponding
boxes. The admin can edit this data and upon clicking the update button this data
updated and stored in the database.

Figure 5.7 Existing Material Updating Form
5.4 Conclusion
DMK-XRD v2.0 defines a new benchmark for phase analysis by making
interpretation of one- and two-dimensional XRD data easier, faster, and more accurate
than ever. Its an integrated, comprehensive suite for researchers, faculties and students
of science. The application achieves the identification of material with better data
mining capabilities available with large collections of data within a relational database
format by developing new software named DMK-XRD v2.0.
DMK-XRD v2.0 is an ideal software for XRD phase identification, it contains
many functions to display, manipulate and to evaluate XRD data. All software functions
are seamlessly integrated within the program. You can insert new materials, or update
existing materials using one software. The search-match algorithm in DMK-XRD v.2.0
combines peak and net profile data in a single search step, which produces the most
reliable results. This software supports the simultaneous use of multiple reference
databases. You can search through all organic and inorganic databases in one go.
The major benefit and primary motive behind developing this software is to
achieve this cost benefit. Sophisticated analytical software for X-ray Diffraction (like
MDIs Jade or Brukers DiffracPlus) is very powderful, very flexible and very
0
2000
4000
6000
8000
10000
12000
14000
8000
4500
6000
13525
9000
7250
0
COMPARI SI ON OF SI MI LAR SOFTWARES BY COST
Figure 5.8 Comparison by cost for different softwares
expensive. DMK-XRD software is intended to be free for educational institutes
currently and supposed to remain so in future too.
Though the application succeeds in achieving the primary objectives of taking
up this project, the project has lot of scope for enhancements to achieve the ultimate X-
ray crystallography software application status. The software can be added to display
the crystal structures of the material in three dimensions. It can also be implemented to
analyze the thin films.
Currently, the application only supports windows, In future, it could be
implemented to support Linux, mac. Due to the penetration of portable devices in the
market, this application could also be developed for mobile platforms. Also, support
for touch enabled devices can be included for easy usability.

Publication
Chetan Parishwad, Dr. M. Krishna, Sandhya S, Development of a Computer Aided
System for Identification of Material Using XRD Characterization, COMSAP 2014
VI, Department of MCA, RVCE, Bangalore, 28
th
June 2014, pp. 117-124.

References
[1] Reynolds, R.C. (1980) Interstratified clay minerals: in Crystal Structures of Clay Minerals and Their
X-Ray Identification, G. W. Brindley and G. Brown, eds., Mineralogical Society, London, 249-303.
[2]. T. G. Fawcett, C. E. Crowder, S. N. Kabekkodu, J. A. Kaduk, Improved Material Identification
Methods Through Targeted Data Mining, International Centre for Diffraction Data, Poly Crystallography
Inc., Naperville IL 60540.
[3]. Maren Kahle, Markus Kleber, Reinhold Jahn, Review of XRD-based quantitative analyses of Clay
minerals in soils: the suitability of mineral intensity factors, Martin-Luther-University [2002].
[4] Scribd, X-Ray Diffraction Techniques, [Online] Available:
http://www.scribd.com/doc/78223772/X-Ray-Diffraction-Techniques
[5] ScienceDirect, Review of XRD-based quantitative analyses of clay minerals, [Online] Available:
http://www.sciencedirect.com/science/article/pii/ S0016706102001751
[6]. James R. Connolly, Introduction Quantitative X-Ray Diffraction Methods, Revision date: 18-Apr,
Spring 2012.
[7]. L. A. J. Garvie, Interstrat -An Expert System to help indentify interstratified clay minerals from
power XRD data, Department of Geology, University of Bristol[1992].
[8]. G. Walentaa and T. Fllmannb, Advances in quantitative XRD analysis for clinker, cements, and
cementitious additions, International Centre for Diffraction Data 2004, Advances in X-ray Analysis,
Volume 47.
[9]. Deane K. Smith and Ron Jenkins, Powder Diffraction File-Past, Present, and Future, JCPDS-
International Centre for Diffraction Data,[ MayJune 1996].
[10]. T. Theivasanthi and M. Alagar, X-Ray Diffraction Studies of Copper Nanopowder, Department of
Physics, PACR Polytechnic College, Rajapalayam, India. Department of Physics, Ayya Nadar Janaki
Ammal College, Sivakasi, India.
[11] Dr. Shouwen Shen, Dr. Husin Sitepu, Saud A. Al-Hamoud, Dr. Ihsan M. Al-Taie, Dr. Gasan
Alabedi, Dr. Abdullah A. Al-Sharani and Bander F. Al-Daajani, Use of XRD and XRF Techniques to
Determinethe Chemical Composition and Crystallite Sizeof Metal Matrix Composite Materials, Saudi
Aramco Journal of Technology, winter [2010].
[12] B. George and L. Williams, "A structured experiment of test-driven development," Information and
Software Technology, vol. 46, pp. 337-342, 2004.
[13] Kahle M., Kleber M., Jahn R, Review of XRD-based quantitative [Online] Available:
http://www.exlit.ru/kahle-m-kleber-m-jahn-r-review-of-xrd-based-quantitative-analyses-of-clay-
minerals-in-soils-the-suitability-of-mineral-intensity-actors.html
[14] Bailey, S. W., Brindley, G. W., Kodama, H., and Martin, R. T. (1982) Report of The Clay Minerals
Society Nomenclature Committee for 1980-1981. Nomenclature for regular interstratifications: Clays &
Clay Minerals 30, 76-78.
[15] Scribd, X-Ray Diffraction Techniques, [Online] Available:
http://www.scribd.com/doc/78223772/X-Ray-Diffraction-Techniques
[16] Wikipedia, Bragg's law, [Online] Available: http://en.wikipedia.org/ wiki/Bragg%27s_law
[17] Wikipedia, Braggs law with applications and derivation, [Online] Available:
http://www.analyticalchemistrygsu.com/2013/03/braggs-law-with-applications-and.html
[18] IEEE Software Engineering Standards Committee, IEEE Std 830-1998, IEEE Recommended
Practice for Software Requirements Specifications, October 20, 1998
[19] Roger S. Pressman, A practitioners approach on Software Engineering, 7
th
edition, published by
McGraw-Hill Companies, New York, 2001, pp. 188-190
[20] Pankaj Jalote, Department of Computer Science and Engineering, Indian Institute of Technology
Kanpur, An integrated Approach to Software Engineering, Second Edition, 1997, pp. 222-225, 335-
340
[21] Lan Sommerville, Introduction to Software Engineering, 9
th
edition 2011, pp. 129 - 135
[22] James Rumbaugh and Michael Blaha, Object Oriented Modeling and design, published by
Prentice-Hall International in 1991
[23] Frank Buchman, Regine Meunier, Hans Rohnert, Peter Sommerland, Michael Stal: Pattern-Oriented
Software Architecture, A System of Patterns, Volume 1, John Wiley and Sons, 2007,pp-200-210.
[24] Michel Blaha, James Rumbargh: Object-Oriented Modelling and Design with UML, 2nd edition,
Pearson Education, 2005, pp 80-91.
[25] Grady Booch et al: Object-Oriented Analysis and Design with applications, 3rd edition, Pearson
Education, 2007, pp.137-152
[25] Simon Bennett, Steve McRobb and Ray Farmer: Object-Oriented Systems Analysis and Design
Using UML, 2nd edition, Tata McGraw-Hill, 2002, pp.35-47.
[26] B. George and L. Williams, "A structured experiment of test-driven development," Information and
Software Technology, vol. 46, pp. 337-342, 2004.
[27] Eldon Y. Li, Houn-Gee Chen and Waiman Cheung, Total Quality Management in Software
Development Process, The Journal of Quality Assurance Institute, Vol. 14, January 2000, pp. 4-6 and
35-41
[28] Therese A. Joiner, La Trobe University, Bundoora, Australia, Total Quality management and
performance, International Journal of Quality and amp Reliability Management , published on January
2006, pp. 617-621
[29] Raji Al-Ami, Firas I. AL-Adhmavi, Implementation of Management Concepts in Managing
Project, Jordan journal of Civil Engineering, Volume 5, 2011
[30] Nayyar Iqbal and M. Rizwan Jameel Qureshi, Improvement of Key Problems of Software Testing
in Quality Assurance, ISSN 1013 5316, published in 2009
[31] San Antonio, TX, Shoestring Manual Testing, Copyright 2000 Rex Black, All Rights Reserved,
in 2000
[32] Isabella and Emi Retna, Study Paper On Test Case Generation For Gui Based Testing,
International Journal of Software Engineering & Applications (IJSEA), Vol.3, January 2012, pp. 139 -
145
[33] Jose Miguel Rojas and Miguel Gomez-Zamalloa, A Framework for Guided Test Case Generation
in Constraint Logic Programming, published in 2010
[34] Michael Ellims, James Bridges and Darrel C. Ince, The Economics of Unit Testing, published by
Empir software Eg in 2006
[35] Frank Buechner , Unit Test of Embedded Software, Copyright 2007 - Hitex Development Tools
GmbH, published in 11/2007 003
[36] Wegener J. and Pitschinetz R Tessy, Another Overall Unit Testing Tool, Quality Week 1995,
Revision: 02/2009 003, Copyright 2009 - Hitex Development Tools GmbH, published in 2009
[37] Ellims M, Parkins RP, Unit Testing Techniques and Tool Support, SAE Technical Paper Series
1999-01-2842. Detroit, USA, in 1999
[38] W. Richards Adrion, Martha A. Branstad and John C. Cherniavsky, Validation, Verification, and
Testing of Computer Software, Computing Surveys, Vol. 14, 1982 ACM 0010-4892/82/0600-0159,
published in June 1982, pp. 161 182
[39] Keqin Li, Roland Groz and Muzammil Shahbaz, Integration Testing of Components Guided by
Incremental State Machine Learning, published in IEEE Computer Society Washington, DC, USA
2006, ISBN:0-7695-2672-1, 2006
[40] Imran Akhtar Khan and Roopa Singh, Quality Assurance and Integration Testing Aspects in Web
Based Applications, International Journal of Computer Science, Engineering and Applications
(IJCSEA) Vol.2, No.3, published in June 2012, pp. 109 - 114
[41] Bernhard Schatz Christian P faller, Integrating Component Tests to System Tests, published in
Facilities Assignment and Control System (FACS) 2008
[42] Stuart Feldman, Quality Assurance: Much more than Testing, Association for Computing
Machinery (ACM) Digital Library, Queue Quality Assurance, Vol 3, Issue I, published in February
2005
[43] Ashwin Tomar, V. M. Thakare, Identification and listing of factors affecting Software Quality
Assurance, International Journal of Internet Computing, ISSN: 2231 6965, Vol. 1, published in 2012,
pp. 43 47
[44] Ashwin Tomar, V. M. Thakare, A Customized Model on Software Quality Assurance & Reuse,
International Journal of Computer Science and Applications, Vol. 6, No. 2, ISSN: 0974-1011, pulished
in April 2013, pp. 279 283
[45] Microsoft Developer Network. Unit Test Basics. Article Copyright 2014 Microsoft.
[46] Microsoft Developer Network. Integration Testing. Article Copyright 2014 Microsoft.
[47] Microsoft Developer Network. Layer Architecture. Microsoft Developer Network, 2014
[48] Hugh Dubberly, System Design, Dubberly Design Office, 28-07-2006, pp 2
[49] Santhosh Kumar, Dfference Between DataReader, DataSet, DataAdapter and DataTable in C#,
25-07-2013.
[50] Parikshit Patel. Three Layer Architecture in C# ,NET. Code Project. 24-02-2014 article.
[51] Reizer N. R, Abowd G. D, Meyers, B. C, Place P. R. H, Using formal methods for requirements
specification of a proposed POSIX standard, Proceedings of the First International Conference on
Requirements Engineering, 1994, pp. 118 125

Identification of Materials Using XRD Characterization

Enviado por

Dados do documento

Direitos autorais

Formatos disponíveis

Compartilhar este documento

Compartilhar ou incorporar documento

Opções de compartilhamento

Você considera este documento útil?

Este conteúdo é inapropriado?

Direitos autorais:

Formatos disponíveis

Identification of Materials Using XRD Characterization

Enviado por

Direitos autorais:

Formatos disponíveis

Department of MCA, RVCE JULY 2014 Page 2 of 60

Você também pode gostar