Software for Residual Stress Analysis

■ X’Pert Stress
Introduction
X’Pert Stress from PANalytical X’Pert Stress is a part of
PW3208
combines classical uni-axial and PANalytical’s X’Pert Software
bi-axial sin2ψ residual stress range which uses the XRDML
analysis with an X-ray elastic data format. X’Pert Stress can also • Instant recalculation of all
constants database, with all read the previous stress format results upon changing a
established methods for peak (.rsc). parameter
position determination and with a
completely new routine for X’Pert Stress includes clipboard • Classical uni-axial and bi-axial
correcting minor misalignments support for texts, tables and sin2ψ residual stress analysis
of either sample or diffractometer. graphics, print and export
A free choice of user-configurable functions for parameter sets, • Database of 400 elastic
defaults plus the instant scans, results and graphics, plus a constants and a built-in XEC
recalculation of all results upon comprehensive report. calculator
the smallest change of input A stress analysis can be saved at
parameters make X’Pert Stress any stage and re-opened later for • 9 different methods for exact
suitable for routine analysis as further evaluation as if the session peak position determination
well as for research. was never interrupted.
• Unique routine to evaluate
This 32-bit application running and correct minor
under Windows NT™, misalignments
Windows® 2000 or Windows
XP® features an up-to-date split-
screen user interface to guarantee
a complete overview of scans,
parameters, sin2ψ-plots and
numerical stress results in one
application window. The
complete on-line help system
explains every function specific to
the program. A novice user is
introduced to the basic features
by worked examples explained in
the Quick Start Guide.
Stress measurements Bi-axial stress
X’Pert Stress is dedicated to the results, sin2ψ
analysis of XRD residual stress plots.
measurements according to the
classical sin2ψ method. Both
measurement types known as the psi-
stress and omega-stress variant are
covered.

Psi-stress measurements are typically

performed on a diffraction system
with a point focus configuration,
suitable for texture analysis as well. In
this configuration a polycapillary
X-ray lens can be applied very
favourably to minimize the effects of
defocusing. The tilting of the sample Bi-axial stress
is always performed by a special results, values.
cradle with a motorized psi axis.

Omega-stress measurements are

performed on a line focus
diffractometer as commonly applied
for phase analysis. Tilting of the
sample is carried out by the
independent omega axis of the
goniometer. Such a configuration
could also include an X-ray mirror.
Bi-axial stress analysis combines the Fitting of the measured peak
Uni-axial and bi-axial Stress results of three measuring directions positions is performed with either the
Analysis and calculates the stress tensor. linear sin2ψ equation to determine
X’Pert Stress offers both uni-axial and For your convenience X’Pert Stress the normal stresses, or with the
bi-axial stress determination. Uni- determines the principal stress tensor elliptical sin2ψ equation to describe
axial stress analysis calculates the and its rotation angle with respect to additional psi-splitting due to shear
stress in the direction of the the measurement frame. stresses perpendicular to the sample
diffraction plane only. surface.

Peak position determination parameters.

Peak Position Determination

X’Pert Stress offers all widely
accepted methods to determine the
peak position. This complete
choice is unique for a residual
stress program.
• Center of gravity
• Sliding center of gravity
• Parabola fit
• Gauss function fit
• Lorentz function fit
• Pearson VII function fit
• Middle at % height
• Manual position Drop-down list box
• Cross-correlation function
containing the peak
The fit functions Gauss, Lorentz position methods.
and Pearson VII offer the
additional possibility to include the
background and/or the Kα2
wavelength in the fitting. This is
an alternative to the corresponding
pattern treatment functions.
Main application window.
Kα2 stripping dialogue.

Pattern Treatment
X’Pert Stress offers a wide range of
pattern treatments. Nine different
methods to determine the exact
peak position are included. Even
more important are the corrections
of the peak position to take several
second order effects into account.

The measured scans are treated and

corrected for:
• Automatic divergence slit
intensity deviation
• Background subtraction (four
different models included)
• Lorentz-Polarization factor
(Four different models covering
samples with a random
orientation or a strong texture, LP correction possibilities.
and either narrow or broad
diffraction peaks.) • Kα2 wavelength (Two
• X-ray absorption (Intensity methods to strip the Kα2
correction, calculation of the wavelength.)
information depth and peak Each pattern treatment function
position correction for is activated or disabled
transparency.) Three different separately. The order of the
models are available, suitable for different pattern treatment
bulk samples, layers and functions is selectable by the
transparent layers. user too. Absorption correction possibilities.
Elastic Constants Database
X’Pert Stress is delivered with a
dedicated elastic constants database.
It contains over 400 entries from
the literature, which are verified for
consistency (as far as possible). The
full literature reference is given for
each entry. Data retrieval is possible
for:
• Isotropic elastic constants
(E and ν)
• X-ray elastic constants
(s1, 1/2s2)
• Single crystal elastic constants
(s11, s12, s44, c11, c12,…)

The addition of more elastic

constants defined by the user is
possible too.

XEC Calculator
The built-in X-ray Elastic Constants
(XEC) calculator uses 5 different
methods to calculate the XEC's
s1 and 1/2s2 as needed for residual
stress analysis:
• Isotropic case
• Reuss
• Voigt
• Hill's weighted average
• Quasi-isotropic model

Data retrieval possibilities.

Instant Recalculation as a user defaults set under a specific

X’Pert Stress calculates all
intermediate results and the final
residual stress instantly. The change
of every single parameter and its
influence on the complete analysis is
directly reflected in the final stress
result. Graphical and textual feedback
is given to the user at any stage of the
stress analysis in real time. This
innovative and unique concept helps
beginners to understand the
importance of each parameter and to
decide whether to apply a certain
correction or not.
The completely integrated default
structure is a key element of this
modern user interface. Every possible
decision taken by the user is backed-
up by a factory default. These
defaults may be modified and saved
name. Multiple sets of user defaults
are possible reflecting the personal
preferences of the various users or
representing dedicated choices to
analyze residual stress of different
materials.
Routine Analysis
The possibility to generate a set of
defaults for one specific type of
analysis enables you to set up X’Pert
Stress for routine analysis as well. No
advanced knowledge is required and
the analysis itself is carried out using
two simple commands:
• Select and load a measurement file
• Print a full report of the analysis
The Quick Start Guide contains an
example on how to set up and
perform a routine analysis.
 ue !
iq
Un
Misalignment Analysis and
Correction
Residual stress analysis is very
sensitive to small errors in sample
height or instrument alignment.
These errors are usually interpreted as
additional pseudo stress. X’Pert Stress
includes a newly developed software
tool to analyze the relevant alignment
conditions of your diffraction
Graphical results of misalignment analysis.
instrument and to correct for minor
aberrations. A time consuming
hardware re-alignment is not
necessary anymore.

All you need to do is to measure a

stress-free sample on your instrument.
A small grained powder sample of
tungsten or gold is appropriate. The
observed pseudo-stress is analyzed in
terms of a beam misalignment and a
sample displacement. This algorithm
works for both the psi-stress method
and for the omega-stress method.

The numbers describing the

remaining misalignment of the sample
and the instrument are entered into
the analysis of an unknown sample.
The X’Pert Stress software then Results before misalignment correction.
calculates the residual stress of the
unknown sample taking into account
the previously determined
misalignment.

Input of numbers to correct for

misalignment.

This correction method makes the

results of a residual stress analysis fully
independent of the alignment of the Results after misalignment correction.
sample and the instrument. For the
first time it is now possible to
compare stress analysis results
obtained on different instruments in
different laboratories.
Reporting
X’Pert Stress offers you state-of-the-
art reporting. The full report
consists of a compilation of the
most relevant items including the
peak list, the sin2ψ plots and the
final stress results. The analysis
parameters report describes all data
correction steps and their
application to every subscan. The
measurements report lists the
original measurement conditions
and possible changes by the user.
All reports are printed with a user-
configurable header and footer.

User-definable header and footer.

Stress Units Automatic Processing

Results of stress measurements can
be expressed in two unit systems:
• International SI units (MPa)
• Imperial units (psi)
The units for the elastic constants
are changed accordingly.
Printed in The Netherlands on 50% recycled, chlorine free paper. Data subject to alteration without notice. For reference purposes only. 9498 702 08111 PN2282
X’Pert Stress supports automatic
processing with X’Pert Automatic
Processing Program (APP) via the
Command Line Interface. Upon
completion of a stress measurement
the analysis can be performed
automatically according to specified
User Defaults and will be saved
electronically. Optionally reports
can be sent to a printer.

Data export possibilities.

Data exchange to word processors or

spreadsheet programs is possible by
the clipboard at any time.
Supported file formats include
.BMP, .WMF and .EMF formats for
graphics plus tab delimited text
(.TXT) or comma separated text
(.CSV).

PANalytical Regional sales offices

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7600 AA Almelo, The Netherlands Tel. +1 508 647 1100 ; Fax +1 508 647 1115
Tel. +31 (0) 546 534 444 Europe, Middle East, Africa
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www.panalytical.com Tel. +65 6741 2868 ; Fax +65 6741 2166