Bruker AXS

D8 DISCOVER
with GADDS
XRD2 Solutions

think forward

XRD

Flexibility
Squaring the circle or achieving what
seems to be impossible thats what
work is like in many areas of research
and development today. As the frontiers
of science are extended, researchers
are engaged in the development of
new active ingredients, materials and
processes, and in monitoring quality.

Sensitivity

The urge to find out what makes things

tick has always been the driving force
behind progress. To satisfy curiosity you
look for causal connections; you want to
know why a thing works the way it does
and which parameters are crucial.
Anyone whose day-to-day work involves
achieving the impossible, needs an
extremely practical, highly flexible, and
absolutely reliable measuring instrument
to analyze and test actual objects. This
instrument would have to work super
fast while, at the same time, registering
and taking into account all aspects both
known and unknown of the object
under examination. It would have to
measure atomic positions and analyze
the microscopic properties of samples
at the same time. It should be able to
virtually take the sample apart, right
down to the very last detail, without
altering it in any way.
Impossible? No! There is an ideal method
and there are perfect solutions that
resolve all the apparent contradictions
and meet all the requirements: the
method is called XRD2, the solutions
are provided by the D8 DISCOVER with
GADDS.

Functionality

Useability

Accuracy

Speed

Power

Reliability

XRD
squaring the circle

Open your eyes using XRD

discover the g-information

Debye
Ring
Single Crystals

Micro Samples
Incident
Beam
Sample

Textured Materials

Powders

Strained Materials

Debye
Cone

Structural
information
lattice parameters
crystalline structure
symmetry
coordination and
correlation

Phase
identification
crystalline phases
amorphous content
phase transition
polymorphism

XRD
Pattern

2q

Phase
quantification
crystalline phases
phase mixtures
% crystallinity

XRD X-ray analysis by means of a

2-dimensional detector is the ideal, nondestructive, analytical method for examining
samples of all kinds. With XRD2 you can
simultaneously identify all the crystalline
phases present in a sample without the
need for time-consuming preparations. This
is particularly important because several
phases are normally present in a sample.
In general, each sample contains a wide
variety of crystals of different sizes. These
crystallites frequently show preferred
orientation and, in addition, their structure
may be under stress.
For many other analytical methods, these
real-life samples present an immense
challenge but not for XRD2. For a complete
characterization, the smallest detail is
important. But measuring every detail
by counting every photon doesnt that
take an incredibly long time? No, because
in addition to detecting every signal, the
greatest advantage of the XRD2 method is
its incredible speed. The complete XRD2
Pattern of the diffracted X-rays is measured
simultaneously in the 2-Theta and Gamma
directions. Only together, this 2-Theta and
Gamma information provide a complete
picture of the sample structure. All you
have to do is decipher this fingerprint and
extract the relevant parameters. Heres how
it works:

The sample structure is determined

from the position and intensity of the

reflections.

By comparing this pattern with known

Orientation
quantification
preferred orientation
texture components
pole figures
orientation distribution

Residual stress
microstrain
deformation
stress tensor
hard coating

patterns, the crystalline phases are

identified.

In addition, the respective quantities of

those phases can also be determined.

Measured intensities are also used to

quantify the orientation distribution of the

crystallites.

Last but not least, residual stress and

external stresses are determined from

shifts in the XRD2 Pattern.

You may not always want to use all the

information at once. Therefore, we made it
easy to pick out the relevant facts, allowing
you to focus on the solution and not on the
analytical method D8 DISCOVER with
GADDS.
5

The Keys to the

2
world of XRD

To apply the XRD2 method, it is essential

to precisely align your sample and to detect
2-dimensional data with high speed, accuracy,
and sensitivity. The key components to success:

The patented laser/video microscope

It provides a simple method for accurate

alignment and positioning of any type of

sample. Without touching the surface, the
sample is automatically positioned in the exact
center of the diffractometer, ensuring that
the X-ray beam hits the selected spot of your
sample.

Simply zoom in on the region of interest and

move your sample to the desired XYposition.

Control your sample height by monitoring
the relative positions of the laser spot
and microscope crosshair and start your
measurement.

Multiple sample positions can be defined

Laser

either in pick-target mode or by clicking on

the sample image.

For automatic operation, the VIDEO program

allows you to auto-align sample heights for the

selected measurement spots. It detects the
laser spot in the video image and brings the
laser spot and the crosshair into coincidence

Video

Correct Sample
Position

Applications

Phase
Identification
Task
Crystalline phase identification of
solid or liquid samples
Measurement
Measure intensity distribution of
2
XRD Pattern
Evaluation
Identify crystalline phases by
matching with known data sets
Key Features
Super speed phase identifi
cation in milliseconds
Excellent data quality even
from non-ideal samples due to
2D sampling
Enhanced match qualification
using 2D diffraction details

Micro
Diffraction

Task

Crystalline or amorphous

phase quantification of solid or

liquid samples

Measurement

relative intensities of
Measure
2
XRD Pattern

Evaluation
Quantify the volume fractions
from the ratio of the diffracted
intensities
Key Features

Super speed phase quantifi

cation in milliseconds

Reliable data from spot sizes

down to 10 microns

Obtain accurate results for any

sample geometry from nonideal samples

Mapping

Texture
Task
Orientation identification and
quantification of crystallites in
solid samples
Measurement
Collect intensity distribution in
2
XRD Patterns as a function of
sample orientation
Evaluation
Determine orientation distribution

Stress
Task
Residual stress determination
Measurement
2
Measure shifts in XRD
Patterns as a function of sample
orientation
Evaluation
Determine the 3D stress and
strain
Key Features

Key Features
Simultaneously record multiple
high resolution pole figures
and full back-ground
Intuitive modeling of texture
using the component method
Descriptive and graphical
presentation of individual
texture components

Simultaneously record multiple

Reciprocal
Space Mapping

NonAmbient

reflections and full background

Better statistics by monitoring

the shape of the Debye ring

Easy stress determination on

curved samples with small
spot sizes down to microns

Task
Microanalysis of small or
inhomogeneous samples

Task
Mapping of inhomogeneous and
structured samples

Task
Orientation and quality of
epitaxial layers

Task
Change of structural properties as
a function of sample environment

Measurement
2
Measure XRD Pattern with
micron accuracy

Measurement
2
Automatically collect XRD
Patterns from multiple locations

Measurement
Measure diffracted intensity as a
function of incident and exit angle

Measurement
2
Collect XRD Patterns under
varying conditions

Evaluation
Integrate spotty data and extract
desired sample information

Evaluation
Automated extraction and
mapping of specific sample
properties

Evaluation
Determine layer structure and
epitaxial relationship

Evaluation
Determine structural parameters
as a function of sample
environment

Key Features
Mapping of samples up to
300mm x 300 mm
Clear 2D and 3D mapping
display
1- and 2-dimensional sampling
using free grids

Large set of reflections

Key Features

Evidential results from traces

for forensic studies and threat

detection
Spot analysis down to microns
Valuable diffraction information
even from a small number of
grains

Phase
Quantification

Key Features

covered simultaneously with

2D detector
Collect a large section of
reciprocal space with only one
sample rotation
Full picture of reciprocal space
without blind spots or missed
reflections

Key Features

Domed temperature stage for

maximum angular coverage

Software-controlled

temperature profiling

Comprehensive graphical
display and report

Single Crystal
Diffraction
Task
Crystallographic structure from
small single crystals
Measurement
Collect a large number of
2
reflections in multiple XRD
Patterns
Evaluation
Index the reflections and solve
the crystal structure
Key Features

Precise lattice parameter

determination

Easy determination of crystal

orientation

Full structure analysis from

crystals down to microns

Small Angle
X-ray Scattering
Task
Nanostructure analysis including
particle shape, size, distribution,
and particle orientation

Task
Rapid analysis of multiple samples
in combinatorial research,
development and quality control

Measurement
Measure small angle X-ray
2
scattering signals in XRD
Patterns

Measurement
2
Automatically collect XDR Patterns
from sample libraries and arrays

Evaluation
Model the data and determine
nano structural properties
Key Features
Straightforward determination
of anisotropic sample
parameters
Capillary mode for liquids
Low background with He
beam-path due to minimized
air scattering

High Resolution
X-ray Diffraction

Reflectometry

Task
Thickness, composition,
mismatch, relaxation, and defects
for epitaxial layers

Tasks
Thickness, roughness, and density
of crystalline and amorphous
layers down to 0.1 nm

Measurement
Measure rocking curves, radial
scans, and reciprocal space maps

Lateral and vertical roughness

correlation

Absolute lattice parameter using

Bond method

Measurement
Measure specular scans, diffuse
scans, and reciprocal space maps

Evaluation
Simultaneous evaluation of
several reflections

Evaluation
Unified evaluation of XRR and
HRXRD

Key Features

Fully automatic sample

alignment

Adjustable detection resolution

with Pathfinder

High-Throughput
Screening

Key Features

Nine orders of magnitude

dynamic range using a Gbel

mirror and knife edge collimator
Third generation Gbel mirror
for perfect incident beam
conditions

Evaluation
Automated extraction and screening
of specific sample parameters
Key Features

Automatic sample alignment

using the laser/video microscope

Horizontal sample mount for

reflection and transmission

geometry
Operator-ready display of the
results

Grazing Incidence
Diffraction
Task
Phase identification, parallel
mismatch, crystal quality,
symmetry, and orientation of very
thin layers
Measurement
Measure in-plane reflections with
very small incident and exit angle
Evaluation
Determine lattice parameters and
phases
Key Features

Automatic alignment of lattice

planes with tilt stage

Characterization of layers down
to 1 nm
Depth profiling by changing the
incidence angle

Phase Identification
Phase Quantification
Texture
Stress
Single Crystal Diffraction
Small Angle X-ray Scattering
High-Throughput Screening
Micro Diffraction
Mapping
Reciprocal Space Mapping
Non-Ambient
High Resolution X-ray Diffraction

Reflectometry
Grazing Incidence Diffraction

Accept no limits tailored solutions

for your applications and samples
2

10

Unlimited potential being able to

examine every conceivable type of
sample, in the best possible way and
using a wide variety of methods.
Unlimited freedom being able to
select from a vast number of perfectly
coordinated components and to move,
effortlessly, between completely
different geometries.

Sample handling from

capillary to 300 mm wafers

Choice of detector from

dynamic scintillation
counter, innovative
VNTEC-1 to unique
2DHISTAR

Innovative PILOT for full

automated high-throughput
screening

Universal DIFFRAC
LEPTOS for thin film
analysis

Award winning DIFFRAC

TOPAS for profile fitting and
structure investigation

Accessories: Alignment
tools, non-ambient
sample chambers, sample
spinners, beamstops

Pioneering MULTEX AREA

for texture analysis

Unlimited versatility a Diffraction

Solution which can perform any number
of tasks successfully with great ease.

Tailored solution the perfect

combination of hardware and software,
of innovation and experience, of service
and consultation.

plus

High-flux optics from

graphite monochromator to
focusing PolyCap

Unique DIFFRAC
EVA / SEARCH for phase
identification

plus

plus

More simply said D8 DISCOVER with

GADDS!

11

Dont miss a single

2
phase XRD

Adjustable sample-to detector distance for

optimized angular resolution

Motorized stages for easy sample handling

Contact-free alignment with laser/video and

manual control box

Laser/Video
Microscope

UBC
Source

Sample

12

HI-STAR
Detector

Non-ambient temperatures from -180 C up to 1100 C

PILOT software for intuitive powder diffraction strategy

Vertical Theta/Theta geometry for easy sample placement

Challenging samples, like a few

small grains or textured material
anything other than ideal powder the
D8DISCOVER with GADDS analyzes
these samples in real-time at or in
dimensions that no diffractometer
could do before.
Preparation is quick and easy: place
your sample, zoom in with the laser/
video microscope and center your
sample nothing else required. Then
start the data collection with PILOT
software. It suggests an optimized
measurement strategy. For example,
it proposes the best settings for
optimized data collection in different
geometries. Choose a start and
end angle, measurement time, and
resolution. Then go! The system starts
to collect a series of XRD2 Patterns
and displays it in a Debye-view. The
large size of the HI-STAR detector
ensures that you get all the reflections.
The Debye view allows you to identify
Debye rings with similar properties
in terms of spottiness, texture, and
other identifying characteristics.
Only the Debye rings with identical
characteristics can belong to the same
crystalline phase. This information can
make all the difference in getting the
right answer, and its only available in
XRD2!

Phase
Transition

Conventional
XRD
XRD2 Movie

Phase 1

Phase 2

Phase 3

Use our unique SEARCH to identify

the present phases by matching the
data to the more than 100,000 entries
of the ICDD database within seconds.
That makes the D8 DISCOVER with
GADDS the ideal choice for fast
qualitative and quantitative phase
analysis.
Domed sample stages for controlled
non-ambient conditions take full
advantage of the HI-STAR detector,
because intensities can be collected in
any direction.

Another outstanding feature is the

high detection speed that allows you
to collect instant snapshots and full
XRD2 movies. During phase transition
studies, you will never miss a single
phase.

13

As modern trends move toward

smaller samples and spot sizes, XRD2
microdiffraction once again gets right
to the point. The point is: small samples
require larger detection areas and
higher sensitivity. The D8 DISCOVER
with GADDS is unrivaled for its
microdiffraction capacity. It features
our unique laser/video microscope
alignment in combination with high
performance X-ray technology to
precisely hit the sample with micron
accuracy.

Small spot analysis down to microns

Non-destructive trace analysis for forensic

applications

Scanning diffraction microscope

functionality

Up to 300 mm mapping of large samples

The small number of grains in the X-ray

beam produces very spotty, incomplete
Debye rings.
Data integration of the 2-dimensional
XRD2 Pattern makes sure that you dont
miss the reflections from these single
grains. No photon will be wasted!
The small spot size in combination with
the automated alignment system allows
you to map entire sample regions. Just
click on the video image and define
individual spots or a whole grid for your
analysis.
After data collection, strong mapping
and analysis software routines
allow you to extract whatever XRD
feature you need to explore, from
material composition to percent
crystallinity, from stress to texture. The
D8DISCOVER with GADDS get right
to the point!

Small Sample
Amounts

Montel Mirror

14

Get right to the

2
point XRD

Small Spots

Focusing
PolyCapTM

15

Focus on the relevant

2
XRD

Two-Position
Chi Stage

Graphical definition of time- and

resolution-optimized measurements
using MULTEX AREA

Intuitive link between 2-dimensional

measurement data and high resolution
pole figures

Calculated full pole figures of individual

texture components

Unique quantitative evaluation of texture

components with MULTEX AREA

MonoCap

16

Graphite
Monochromator

Whether you are designing new

anisotropic materials with new
capabilities or your are developing a new
process to create a cer tain required
texture in your material, whether you are
working with metals, superconductors,
coatings, fibers, polymers, nanomaterials, thin films, or wires: with
the D8 DISCOVER with GADDS you
can solve the complete texture of your
sample in an easy and elegant way.
A primary advantage is our straight
forward MULTEX AREA software, which
supports you in all steps of texture
analysis. From optimizing the data
collection strategy through interactive
evaluation, to transparent results and the
final reporting, it simultaneously collects
multiple pole figures and complete
background, taking full advantage of the
XRD2 technology. Interactively solving
your texture with MULTEX AREA works
like this:

First you build a model of your sample

by selecting the texture components
via drag and drop.

Then the software refines it and

represents the results in a pie chart.

Click on a slice and you get a 3D

picture and full information for that

texture component.

Focused on the relevant

D8DISCOVER with GADDS and

MULTEX AREA.

Random
Texture Component

Fiber
Texture Component

Preferred
Orientation Components

Texture with XRD

17

Optimum data quality with the optimum wavelength:

Cu, Co, Fe or Cr

Improved results with elastic constants calculated

with ELASTIX software

2
XRD stress analysis on samples with texture or with a
small number of grains

Easy handling of large and heavy samples no sample

preparation required

Small spot analysis on complex parts: inhomogeneous

or curved samples, etc.

When stress is an important

factor affecting performance
or lifetime of your samples, the
D8DISCOVER with GADDS is
the answer to getting reliable
stress measurement results.
It is the only solution when
you have to deal with complex
geometries, heavy samples and
textured and inhomogeneous
materials. Precisely define your
measurement location using the
unique laser/video microscope.
XRD2 allows you to analyze
the smallest sample features
with an X-ray beam collimated
down to 10 microns. Finally,
generate a 1- or 2-dimensional
stress map using the high
precision motorized xyz stages.
For example, to control the
welding process you can
easily determine the stress
distribution across a weld along
a line of measuring points. Then,
determine the local stresses
with the sin2(psi) method and
display the results in a map.
2
With the XRD method you
directly measure stress-induced
deformation of the Debye
cone. This improves your data
because you are simultaneously
collecting measurement
points from multiple
inclination angles. Altogether
total stress control with
D8DISCOVERwithGADDS.

Stressed Sample

Exchangeable
X-ray Source

18

uniaxial

XRD get Stress

under control

Unstressed
Debye Ring

Unstressed
Reflection
sheer

Stressed
Debye Ring

19

Master the flood

2
of samples: XRD

Full support of CFR 21 Part 11 regulations

Well established XQ procedures for

consistent throughput

Reflection and transmission geometry

available

Patented, retractable Knife Edge Collimator

(KEC) for optimum data quality

PILOT software for straightforward

measurement set-up

20

Screening samples / materials

High-throughput screening systems

need to probe hundreds of samples
rapidly and in a non-destructive fashion.
High precision sample positioning,
automated data acquisition, handling,
and evaluation are indispensable. XRD2
has the capability to simultaneously
and unambiguously determine sample
properties such as phase composition,
polymorphism, structure, percent
crystallinity, particle size, texture, and
residual stress.
The D8 DISCOVER with GADDS is the
unique solution for high-throughput
screening in terms of speed, sensitivity,
and data quality. In addition, the
GADDSplus software suite provides
the tools to rapidly screen and analyze
sample libraries of any format. To detect
unpredictable sample features, the
innovative PolySNAP software compares
full XRD2 Patterns. It mines through
thousands of datasets by marking and
sorting deviating samples. This method
will automatically identify samples with
identical phases and detect mixtures.
For quality control, samples can be
automatically flagged based on a pass/
fail criteria.
The D8 DISCOVER with GADDS is also
easily integrated into large workflows.
It plays in concert with other analytical
methods. For example, the results
can include video images as well as
imported general sample information.
Another plus is that the data can be
ported to other data mining software.
Rapid screening with the D8 DISCOVER
with GADDS is the optimum solution to
master your highthroughput needs.

Screening result

Pass / fail result

Sample array / libraries

and / or

Screening criteria

21

Dimensions
and Structures
analyzed
by SAXS

Dimensions
and Structures
analyzed
by XRD2

Dimensions
and Structures
analyzed
by SCD

Helium Beampath

Montel Mirror for a highly intense,

point-like parallel beam

Helium beampath for reduction of air

scattering

Compact Centric Eulerian cradle for

maximum access to reciprocal space

Multiscale structure analysis

Beamstop

22

Micro Nano
Sub Angstrom
pick your scale
22
with XRD
Modern material research and
nanotechnology rely on structural
investigations to design and optimize
new materials. The detailed knowledge
of structural properties allows you to
understand and predict electrical, optical,
and mechanical properties that affect
material performance.
The D8 DISCOVER with GADDS provides
a broad and comprehensive picture of
structural aspects from atomic positions to
particle sizes, from epitaxial relationships to
particle shapes.
XRD2 covers the whole range of lengthscales: large scale features that result in
Small Angle X-ray Scattering (SAXS) signals
and arrangement of individual atoms in a
single crystal that result in Bragg diffraction
signals. Consequently, the D8 DISCOVER
with GADDS can characterize structures
in the nano-range, molecular structures in
single crystals, and heterostructures in thin
films.
Due to the unique combination of
extremely low background and single
photon detection of the H
I-STAR detector,
2D SAXS patterns from anisotropic samples
can be detected in real-time.

qz
2 Range

In addition, these HI-STAR features mean

that crystal structures from samples as
small as 20 microns can be solved.

Ewald
Sphere

Range

2
qy

Maps of large reciprocal space sections can

be accomplished in a very short time due
to the high spatial resolution and the large
active area of the detector.

D8 DISCOVER with GADDS analyzes every

structural aspect of your sample pick your
scale.

qx

23

Samples
Small

Large

Inhomo
geneous

Preferred
Orientation

Weakly
Diffracting

Powder

Complex
Geometries

Heavy

Small
Large
Inhomogeneous
Preferred Orientation
Weakly Diffracting
Powder
Complex Geometries
Heavy

24

Patented laser/video microscope

Automated, contact-free sample

alignment and monitoring

Unique HI-STAR detector with real-time 2-dimensional

data display

Ultra sensitive, noise free, single photon detection

VNTEC-2000 with patented MikroGapTM technology

The video camera adds an extra benefit
to your daily work: the recorded video
pictures can be used for documentation,
report writing, and even other optical
applications like birefringes method,
polarized light microscopy, optical sample
screening, and more.

The patented 2-dimensional

HISTAR detector
This detector features an up to 65
2-Theta and large Gamma active area
while providing an unrivalled single
photon sensitivity and high dynamic
range. This long list of features makes the
HI-STAR a unique XRD2 detector covering
the entire range of X-ray diffraction
applications ranging from powder
diffraction, micro diffraction, texture, and
stress to Small Angle X-ray Scattering
(SAXS) and single crystal diffraction.

1.000 x 1.000
measuring points
within one
XRD2 Pattern

Single Photon
Detection

25

Traditional
one point
measurement

The HI-STAR is the most sensitive

detector for laboratory diffraction
experiments, enabling millisecond
measurement time. This is the reason
why the HI-STAR is one of BrukerAXS
most popular SUPER SPEED
components.

Configuration

Horizontal and vertical,

Theta/2-Theta and Theta/Theta geometry
(can be reconfigured on-site)

Angular range

360 (without accessories)

Max. usable angular range

(depends on accessories and set up)

-160.5 < 2-Theta 120

X-ray optics

Flat graphite monochromator

UBC Gbel Mirrors
2-D Montel Mirror
Focusing PolyCap 500 m spot
Collimators 1 mm down to 50 m
MonoCap optics 1 mm down to 10 m
Focusing Micro lens for beam size down to 100 m

Sample stages

Fixed-chi stage
Two-position chi stage
Centric Eulerian cradle
-circle Eulerian cradle
XYZ stages
UMC 300

HI-STAR detector

Real-time data collection and display

True photon counting
11.5 cm diameter active area
2-Theta coverage:
65 at 6 cm sample-to-detector distance
18 at 30 cm sample-to-detector distance

Optional detectors

Scintillation counter
Energy dispersive Sol-XE
1-dimensional VNTEC-1
2-dimensional VNTEC-2000 with 14 x 14 cm2 active area

Accessories

Optical microscope
Laser/Video microscope
Sample rotation stages
Capillary spinner
High and low temperature chambers:
-180 C up to 1100 C
Retractable Knife Edge Collimator
Beamstop and beampath for SAXS

www.bruker-axs.com

Bruker AXS GmbH

Bruker AXS Inc.

Karlsruhe, Germany
Phone +49 (7 21) 5 95-28 88
Fax +49 (7 21) 5 95-45 87
info@bruker-axs.de
www.bruker-axs.de

Madison, WI, USA

Phone +1 (800) 234-XRAY
Tel. +1 (608) 276-3000
Fax +1 (608) 276-3006
info@bruker-axs.com
www.bruker-axs.com

D8 and DIFFRAC are registered trademarks of

the US Office of Patents and Trademarks.
The Laser/Video system, the VNTEC and
LynxEye technology, the Pathfinder, the Gbel
Mirror, and LEPTOS are protected by patents of
the US or EP Offices of Patents and Trademarks.

All configurations and specifications are subject to change without notice. Order No. DOC-B88-EXS002. 2009 Bruker AXS GmbH. Printed in Germany.

Technical Data