Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Wiesbaden
Springer Spektrum
[2019]
|
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | xv, 195 Seiten Illustrationen 21 cm x 14.8 cm |
| ISBN: | 9783658285012 365828501X |
Internformat
MARC
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| 245 | 1 | 0 | |a Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry |c Danica Heller-Krippendorf ; with a foreword by Prof. Dr. Carsten Engelhard |
| 264 | 1 | |a Wiesbaden |b Springer Spektrum |c [2019] | |
| 264 | 4 | |c © 2019 | |
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Datensatz im Suchindex
| _version_ | 1804180814866415616 |
|---|---|
| adam_text | TABLE
OF
CONTENTS
FOREWORD
...................................................................................................................
V
ACKNOWLEDGEMENTS
................................................................................................
VH
ABBREVIATIONS
AND
TERMINOLOGY
..........................................................................
XIN
ABSTRACT
..................................................................................................................
XVII
ZUSAMMENFASSUNG
................................................................................................
XIX
1
INTRODUCTION
AND
SCOPE
OF
THE
THESIS
...........................................................
1
1.1
INTRODUCTION
....................................................................................................................................
1
1.2
SCOPE
OF
THE
THESIS
.....................................................................................................................
2
2
FUNDAMENTALS
...................................................................................................
5
2.1
TOF-SIMS
.........................................................................................................................................
5
2.1.1
SIMS
PROCESS
.......................................................................................................................
5
2.1.2
PRIMARY
IONS
..........................................................................................................................
7
2.1.3
TOF
MASS
ANALYZER
..............................................................................................................
7
2.1.4
DETECTOR
.................................................................................................................................
8
2.1.5
TOF-SIMS
ANALYSES
.............................................................................................................
9
2.2
TOF-SIMS
DATA
ANALYSIS
............................................................................................................
10
2.3
MULTIVARIATE
DATA
ANALYSIS
........................................................................................................
14
2.3.1
PRINCIPAL
COMPONENT
ANALYSIS
..........................................................................................
14
2.3.2
MULTIVARIATE
CURVE
RESOLUTION
...........................................................................................
22
2.4
FUNDAMENTALS
IN
STATISTIC
AND
INDICATORS
OF
SIGNIFICANCE
..................................................23
2.4.1
NORMAL
DISTRIBUTION
.............................................................................................................
23
2.4.2
STUDENT S
T-DISTRIBUTION
AND
HOTELLING S
T
2
DISTRIBUTION
.....................................................
24
2.4.3
CHI-SQUARED
DISTRIBUTION
AND
SIMILAR
DISTRIBUTIONS
.........................................................
24
2.4.4
MAHALANOBIS
DISTANCE
.......................................................................................................
25
2.4.5
SIGNIFICANCE
LEVEL
AND
CONFIDENCE
INTERVAL
.....................................................................
25
3
STATE
OF
THE
ART
..... ......................
27
3.1
INTRODUCTION
.................................................................................................................................
27
3.2
MULTIVARIATE
DATA
ANALYSIS
IN
TOF-SIMS
................................................................................
28
3.3
REQUIREMENTS
FOR
SUCCESSFUL
APPLICATION
OF
MVA
.............................................................. 29
3.3.1
EXPERIMENTAL
DESIGN
.........................................................................................................
29
3.3.2
SELECTION
OF
AN
APPROPRIATE
MVA
METHOD
........................................................................
29
3.3.3
DATA
PREPROCESSING
...........................................................................................................
30
3.3.4
INTERPRETATION
OF
THE
RESULTS
AND
MODEL
VALIDATION
.........................................................
35
3.4
REVIEW
OF
MVA
APPLICATIONS
BASED
ON
TOF-SIMS
MASS
SPECTRA
.....................................
36
3.5
TOF-SIMS
IN
AN
INDUSTRIAL
CONTEXT
..........................................................................................38
3.5.1
MANUAL
TOF-SIMS
DATA
ANALYSIS
...................................................................................
38
X
TABLE
OF
CONTENTS
3.5.2
MULTIVARIATE
DATA
ANALYSIS
OF
TOF-SIMS
DATA
...............................................................
40
3.6
CHALLENGES
AND
FURTHER
REQUIREMENTS
IN
ROOT
CAUSE
ANALYSES
.....................................
42
4
EXPERIMENTAL
AND
INSTRUMENTAL
SETUP
.........................................................
45
4.1
SAMPLE
SYSTEMS
..........................................................................................................................
45
4.1.1
BATTERY
SAMPLES
.................................................................................................................
45
4.1.2
PBT
SAMPLES
......................................................................................................................
47
4.1.3
ALD
SAMPLE
SYSTEM
..........................................................................................................
49
4.2
EXPERIMENTAL
SECTION
.................................................................................................................
50
4.2.1
INSTRUMENTATION
AND
MEASUREMENT
CONDITIONS
................................................................
50
4.2.2
PROCEDURE
OF
MEASUREMENT
FOR
PBT
SAMPLES
TYPE
2
....................................................
52
5
ADVANTAGES
OF
CORRELATION
LOADINGS
FOR
MVA
OF
TOF-SIMS
DATA
..........
53
5.1
INTRODUCTION
1
................................................................................................................................
53
5.2
MATERIALS
AND
METHODS
...............................................................................................................
55
5.2.1
CORRELATION
LOADINGS
..........................................................................................................
55
5.2.2
EXPERIMENTAL
DETAILS
..........................................................................................................
55
5.3
RESULTS
AND
DISCUSSION
.............................................................................................................
58
5.3.1
IDENTIFICATION
OF
RELEVANT
SIGNALS
INDEPENDENT
OF
THEIR
INTENSITY
IN
LOADINGS
..............
60
5.3.2
DISCUSSION
LOADINGS
VERSUS
CORRELATION
LOADINGS
..........................................................
71
5.4
CONCLUSIONS
.................................................................................................................................
72
6
REQUIRED
NUMBER
OF
REPLICATE
MEASUREMENTS
-
A
CASE
STUDY
...............
73
6.1
INTRODUCTION
..................................................................................................................................
73
6.2
EXPERIMENTAL
DETAILS
..................................................................................................................
74
6.2.1
SAMPLE
SYSTEM
AND
MEASUREMENT
CONDITIONS
................................................................
74
6.2.2
PCA
ANALYSIS
......................................................................................................................
74
6.3
RESULTS
AND
DISCUSSION
.............................................................................................................
76
6.3.1
RESULTS
FOR
25
REPLICATE
POSITIONS
PER
SAMPLE
................................................................
76
6.3.2
INFLUENCE
OF
NUMBER
OF
REPLICATE
POSITIONS
ON
THE
RESULTS
...........................................
79
6.3.3
ANALYSIS
OF
CORRELATION
LOADINGS
.......................................................................................
84
6.4
DISCUSSION
AND
CONCLUSIONS
...................................................................................................
86
6.5
APPENDIX
......................................................................................................................................
87
7
SELECTION
OF
AN
EFFICIENT
PEAK
LIST
IN
ROOT
CAUSE
ANALYSIS
....................
89
7.1
INTRODUCTION
..................................................................................................................................89
7.2
DEFINITIONS
....................................................................................................................................
90
7.2.1
RELEVANT
SIGNALS
.................................................................................................................
90
7.2.2
MANUAL
PEAK
SELECTION
......................................................................................................
90
7.2.3
AUTOMATED
PEAK
SELECTION
.................................................................................................
91
TABLE
OF
CONTENTS
XI
7.2.4
SEMI-AUTOMATED
PEAK
SELECTION
91
7.3
EXPERIMENTAL
DETAILS
92
7.3.1
SAMPLE
SYSTEMS
92
7.4
RESULTS
AND
DISCUSSION
94
7.4.1
COMPARISON
OF
THE
MANUAL
AND
THE
AUTOMATED
APPROACH
FOR
THE
ANALYSIS
OF
LI-ION
BATTERIES
94
7.4.2
COMPARISON
OF
THE
MANUAL
AND
THE
SEMI-AUTOMATED
APPROACH
FOR
THE
ANALYSIS
OF
PBT
SAMPLES
100
7.4.3
SUMMARY
ILL
7.5
CONCLUSIONS
111
7.6
APPENDIX
112
8
SCALING,
NORMALIZATION
AND
CENTERING
FOR
MVA
ON
SPECTRA
115
8.1
INTRODUCTION
..........115
8.2
EXPERIMENTAL
DETAILS
116
8.2.1
AID
SAMPLES
116
8.2.2
LI-ION
BATTERY
SAMPLES
AND
CENTERING
119
8.3
RESULTS
AND
DISCUSSION
119
8.3.1
SCALING
FOR
SPECTRA
OF
ALD
SAMPLES
119
8.3.2
NORMALIZATION
FOR
ALD
SAMPLES
131
8.3.3
CENTERING
FOR
LI-ION
BATTERY
SAMPLES
139
8.4
GUIDELINES
FOR
PCA
OF
TOF-SIMS
SPECTRA
141
8.4.1
SCALING
141
8.4.2
NORMALIZATION
143
8.4.3
CENTERING
144
8.5
CONCLUSIONS
145
9
PRESENTATION
OF
PCA
RESULTS
147
9.1
INTRODUCTION
147
9.2
EXPERIMENTAL
DETAILS
149
9.2.1
SAMPLE
SYSTEM
149
9.2.2
THEORY
149
9.3
RESULTS
AND
DISCUSSION
152
9.3.1
DISTINCTION
OF
SIO2
AND
HFCH
SAMPLES
153
9.3.2
DIFFERENCE
BETWEEN
MEASUREMENTS
WITH
BH
+
AND
BIS*
159
9.3.3
INTERPRETATION
OF
SIGNALS
PRESENT
IN
MORE
THAN
ONE
CHARACTERISTIC
SPECTRUM
162
9.4
CONCLUSIONS
............................................................................................
162
9.5
APPENDIX
163
9.5.1
TRANSFORMATION
OF
LOADINGS
163
9.5.2
PROJECTION
OF
CORRELATION
LOADINGS
INTO
THE
DIRECTION
OF
A
SPECIFIC
GROUP
...164
9.5.3
SELECTION
OF
RELEVANT
SIGNALS
165
XII
TABLE
OF
CONTENTS
10
NIVA
OF
LI-ION
BATTERY
SAMPLES
-
A
CASE
STUDY
...................................167
10.1
INTRODUCTION
...........................................................................................................................
167
10.2
EXPERIMENTAL
SECTION
...........................................................................................................
168
10.3
RESULTS
AND
DISCUSSION..
.....................................................................................................168
10.3.1
SCREENING
FOR
THE
UNKNOWN
-
SURFACE
ANALYSIS
.......................................................
168
10.3.2
EXAMINATION
OF
THE
LAYER
STRUCTURE:
MULTIVARIATE
CURVE
RESOLUTION
......................
172
10.3.3
COMPARATIVE
ANALYSIS
-
FIND
CORRELATIONS
IN
LAYER
STRUCTURE
-
RCA
....................
173
10.4
CONCLUSIONS
...........................................................................................................................
175
11
CONCLUDING
REMARKS
AND
FUTURE
PERSPECTIVES
...................................
177
11.1
SUMMARY
AND
CONCLUSIONS
.................................................................................................
177
11.2
FUTURE
PERSPECTIVES
.............................................................................................................
180
REFERENCES
.............................................................................................................
183
|
| any_adam_object | 1 |
| author | Heller-Krippendorf, Danica |
| author_GND | (DE-588)1200382730 (DE-588)134102533 |
| author_facet | Heller-Krippendorf, Danica |
| author_role | aut |
| author_sort | Heller-Krippendorf, Danica |
| author_variant | d h k dhk |
| building | Verbundindex |
| bvnumber | BV046327006 |
| classification_rvk | VG 9807 |
| ctrlnum | (OCoLC)1141149688 (DE-599)DNB1197261478 |
| discipline | Chemie / Pharmazie |
| format | Thesis Book |
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| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV046327006 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T08:41:45Z |
| institution | BVB |
| institution_GND | (DE-588)1043386068 |
| isbn | 9783658285012 365828501X |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-031703936 |
| oclc_num | 1141149688 |
| open_access_boolean | |
| owner | DE-83 |
| owner_facet | DE-83 |
| physical | xv, 195 Seiten Illustrationen 21 cm x 14.8 cm |
| publishDate | 2019 |
| publishDateSearch | 2019 |
| publishDateSort | 2019 |
| publisher | Springer Spektrum |
| record_format | marc |
| spelling | Heller-Krippendorf, Danica Verfasser (DE-588)1200382730 aut Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry Danica Heller-Krippendorf ; with a foreword by Prof. Dr. Carsten Engelhard Wiesbaden Springer Spektrum [2019] © 2019 xv, 195 Seiten Illustrationen 21 cm x 14.8 cm txt rdacontent n rdamedia nc rdacarrier Dissertation Universität Siegen 2018 Flugzeitmassenspektrometrie (DE-588)4368444-0 gnd rswk-swf Sekundärionen-Massenspektrometrie (DE-588)4077346-2 gnd rswk-swf Multivariate Analyse (DE-588)4040708-1 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Flugzeitmassenspektrometrie (DE-588)4368444-0 s DE-604 Sekundärionen-Massenspektrometrie (DE-588)4077346-2 s Multivariate Analyse (DE-588)4040708-1 s Engelhard, Carsten 1977- (DE-588)134102533 wpr Springer Fachmedien Wiesbaden (DE-588)1043386068 pbl Erscheint auch als Online-Ausgabe 9783658285029 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=be657739fd764180a3cee39774dad444&prov=M&dok_var=1&dok_ext=htm 2019-10-23 Verlag Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=031703936&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Heller-Krippendorf, Danica Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry Flugzeitmassenspektrometrie (DE-588)4368444-0 gnd Sekundärionen-Massenspektrometrie (DE-588)4077346-2 gnd Multivariate Analyse (DE-588)4040708-1 gnd |
| subject_GND | (DE-588)4368444-0 (DE-588)4077346-2 (DE-588)4040708-1 (DE-588)4113937-9 |
| title | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry |
| title_auth | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry |
| title_exact_search | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry |
| title_full | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry Danica Heller-Krippendorf ; with a foreword by Prof. Dr. Carsten Engelhard |
| title_fullStr | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry Danica Heller-Krippendorf ; with a foreword by Prof. Dr. Carsten Engelhard |
| title_full_unstemmed | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry Danica Heller-Krippendorf ; with a foreword by Prof. Dr. Carsten Engelhard |
| title_short | Multivariate data analysis for root cause analyses and time-of-flight secondary ion mass spectrometry |
| title_sort | multivariate data analysis for root cause analyses and time of flight secondary ion mass spectrometry |
| topic | Flugzeitmassenspektrometrie (DE-588)4368444-0 gnd Sekundärionen-Massenspektrometrie (DE-588)4077346-2 gnd Multivariate Analyse (DE-588)4040708-1 gnd |
| topic_facet | Flugzeitmassenspektrometrie Sekundärionen-Massenspektrometrie Multivariate Analyse Hochschulschrift |
| url | http://deposit.dnb.de/cgi-bin/dokserv?id=be657739fd764180a3cee39774dad444&prov=M&dok_var=1&dok_ext=htm http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=031703936&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT hellerkrippendorfdanica multivariatedataanalysisforrootcauseanalysesandtimeofflightsecondaryionmassspectrometry AT engelhardcarsten multivariatedataanalysisforrootcauseanalysesandtimeofflightsecondaryionmassspectrometry AT springerfachmedienwiesbaden multivariatedataanalysisforrootcauseanalysesandtimeofflightsecondaryionmassspectrometry |