Hume-Rothery rules for structurally complex alloy phases:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Boca Raton [u.a.]
CRC Press
2011
|
| Subjects: | |
| Online Access: | Klappentext Inhaltsverzeichnis |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | XIII, 342 S. Ill., graph. Darst. |
| ISBN: | 9781420090581 |
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| 100 | 1 | |a Mizutani, Uichiro |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Hume-Rothery rules for structurally complex alloy phases |c Uichiro Mizutani |
| 264 | 1 | |a Boca Raton [u.a.] |b CRC Press |c 2011 | |
| 300 | |a XIII, 342 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Includes bibliographical references and index | ||
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| 650 | 4 | |a Physical metallurgy | |
| 650 | 4 | |a Phase rule and equilibrium | |
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Record in the Search Index
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|---|---|
| adam_text | Table
of
Contents
Preface,
xi
Chapter
1
Introduction
1.1
WHAT IS THE DEFINITION OF THE HUME-ROTHERY
RULES?
1
1.2
HISTORICAL SURVEY OF CHEMISTRY AND
METALLURGY
6
1.3
HISTORICAL SURVEY OF CRYSTALLOGRAPHY
11
1.4
HISTORICAL SURVEY OF PHYSICS
14
REFERENCES
17
Chapter
2 ■
Chemical Bonding and Phase Diagrams in
___________
Alloy Phase Stability
__________________________
21_
2.1
COHESIVE ENERGY OF A SOLID
21
2.2
FREE ENERGY OF FORMATION AND ENTHALPY OF
FORMATION
26
2.3
KINETIC ENERGY OF ELECTRONS AND THE ROLE
OF THE PSEUDOGAP
30
REFERENCES
34
Chapter
3 ■
Early Theories of Alloy-Phase Stability
__________37
3.1
MOTT-JONES MODEL FOR ALPHA-, BETA-, AND
GAMMA-BRASSES
37
3.2
THE MODEL OF JONES (I)
38
3.3
THE MODEL OF JONES (II)
44
REFERENCES
46
vi
■
Table of Contents
Chapter
4 ■
First-Principles Band Calculations Using the
___________
Muffin-Tin Potential
___________________________49
4.1
FIRST-PRINCIPLES BAND CALCULATIONS VERSUS
THE HUME-ROTHERY ELECTRON CONCENTRATION
RULE
49
4.2
ORIGIN OF THE PSEUDOGAP: ORBITAL
HYBRIDIZATIONS VERSUS FsBz INTERACTIONS
50
4.3
WHAT ARE FIRST-PRINCIPLES BAND
CALCULATIONS?
55
4.4
ALL-ELECTRON BAND CALCULATIONS WITHIN THE
MUFFIN-TIN APPROXIMATION
57
4.5
WAVE FUNCTIONS INSIDE AND OUTSIDE THE MT
SPHERE
61
4.6
ORTHOGONALITY CONDITION WITH CORE
ELECTRON STATES
63
4.7
KKR-ASA EQUATION
65
4.8
LINEARIZATION METHOD
70
4.9
LMTO-ASA METHOD
74
4.10
EXTRACTION OF spd-d ORBITAL HYBRIDIZATIONS
IN THE LMTO-ASA METHOD
81
4.11
APW METHOD
85
4.12
LAPW METHOD
88
REFERENCES
95
Chapter
5 ■
Hume-Rothery Electron Concentration Rule
Concerning the
α/β
Phase Transformation in
Cu-X (X
=
Zn, Ca, Ge,
etc.) Alloy Systems
97
5.1
STABLE FCC-Cu VERSUS METASTABLE BCC-Cu
97
5.2
FIRST-PRINCIPLES BAND CALCULATIONS FOR FCC-
AND BCC-Cu IN LITERATURE
98
5.3
FLAPW ELECTRONIC STRUCTURE CALCULATIONS
FOR FCC- AND BCC-Cu
99
5.4
TOTAL-ENERGY AND VALENCE-BAND STRUCTURE
ENERGY
102
Table
of Contents
■
vii
5.5
DOS FOR FCC- AND BCC-Cu
106
5.6
RELATIVE STABILITY OF THE a- AND
ß-PHASES IN
Cu-X (X
=
Zn, Ga,
Ce, ETC.)
ALLOY SYSTEMS
109
5.7
SUMMARY
117
REFERENCES
119
Chapter
6 ■
Structure of Structurally Complex Metallic
__________
Alloys
__________________________________
T _
6.1
WHAT ARE STRUCTURALLY COMPLEX ALLOYS?
121
6.2
GAMMA-BRASSES
125
6.3 1/1-1/1-1/1
APPROXIMANTS
129
REFERENCES
137
Chapter
7 ■
Stabilization Mechanism of Gamma-Brasses
Characterized by a FsBz-lnduced Pseudogap
139
7.1
STABILIZATION MECHANISM DRIVEN BY A FsBz-
INDUCED PSEUDOGAP
139
7.2
FLAPW BAND CALCULATIONS FOR Cu5Zn8 AND
Cu9Al4 GAMMA-BRASSES
140
7.3
EXTRACTION OF THE FsBz INTERACTION AT THE
SYMMETRY POINTS
N
OF THE BRILLOUIN ZONE
143
7.4
THE HUME-ROTHERY STABILIZATION MECHANISM
FOR Cu5Zn8 AND
Cu9Al4
GAMMA-BRASSES
151
7.5
e/a DEPENDENT PHYSICAL PROPERTIES OF NOBLE
METAL ALLOYS
156
7.6
Cu-Zn AND Cu-Cd GAMMA-BRASSES IN SOLID
SOLUTION RANGES
159
7.7
Cu
-ΑΙ
AND Cu-Ga GAMMA-BRASSES IN SOLID
SOLUTION RANGES
164
7.8
SUMMARY
170
REFERENCES
171
viii
■
Table of
Contents
Chapter
8 ■
Stabilization Mechanism of Gamma-
Brasses Characterized by Increasing Orbital
Hybridizations: Role of d-States-Mediated-
___________
FsBz Interactions
____________________________173
8.1
GAMMA-BRASSES IN CROUP (II)
173
8.2
TM-Zn (TM
=
Ni, Pd,
Co, AND Fe) GAMMA-BRASSES
174
8.2.1
Construction of the Model Structure
174
8.2.2
Electronic Structure Calculations and Stabilization
Mechanism
175
8.2.2.1
Ni2Znu and Pd2Znn Gamma-Brasses
175
8.2.2.2
Co2Znn and Fe2Znn Gamma-Brasses
183
8.3
AL8V5 GAMMA-BRASS
191
8.3.1
Construction of the Model Structure
191
8.3.2
Electronic Structure Calculations and Stabilization
Mechanism
192
8.4
Ag-Li GAMMA-BRASS
199
8.4.1
Construction of the Model Structure
200
8.4.2
Electronic Structure Calculations
200
8.4.3
Stabilization Mechanism
203
8.5
Ni-Zn AND Co-Zn GAMMA-BRASSES IN SOLID
SOLUTION RANGES
210
8.6
SUMMARY
213
REFERENCES
214
Chapter
9 ■
Stabilization Mechanism of
1/1 -1/1 -1/1
Approximants
217
9J ELECTRONIC STRUCTURE OF
1/1-1/1-1/1
APPROXIMANTS
217
9.2
Al-Mg-Zn
1/1-1/1-1/1
APPROXIMANT
219
9.2.1
Construction of the Model Structure
219
9.2.2
Electronic Structure Calculations
221
9.2.3
Stabilization Mechanism
223
Table
of
Contents
■ ix
9.3 Al-Li-Cu 1/1-1/1-1/1
APPROXIMANT
231
9.3.1
Construction
of the Model
Structure
231
9.3.2
Electronic Structure Calculations
232
9.3.3
Stabilization Mechanism
233
9.4
AI-Cu-TM-Si (TM
=
Fe OR Ru)
1/1-1/1-1/1
APPROXIMANTS
236
9.4.1
Construction of the Model Structure
236
9.4.2
Electronic Structure Calculations and Stabilization
Mechanism
238
9.4.2.1
LMTO-ASA Band Calculations
238
9.4.2.2
FLAPW Band Calculations
241
9.5
Al-Re-Si
1/1-1/1-1/1
APPROXIMANT
244
9.5.1
Atomic Structure Free from Chemical Disorder
244
9.5.2
Electronic Structure Calculations
244
9.6
ROLE OF VACANCIES TO MAINTAIN A CONSTANT
due IN THE
1/1-1/1-1/1
APPROXIMANTS
245
9.7
SUMMARY
246
REFERENCES
247
Chapter
10 ■
The Interplay and Contrasts Involved in the
Chemistry, Physics, and Crystal Structures of
Alloys and Compounds
249
10.1
e/a OR
VEC
AS AN ELECTRON CONCENTRATION
PARAMETER
249
10.2
EXISTING PROPOSALS ON e/a FOR THE
TRANSITION METAL ELEMENT
253
10.3
HUME-ROTHERY PLOT FOR THE B2-COMPOUNDS
255
10.4
(e/a)TM VALUE FOR THE TRANSITION METAL
ELEMENT IN THE PERIODIC TABLE
261
10.5
PHYSICS BEHIND THE MATCHING CONDITION
262
10.6
UNIVERSAL TEST OF THE MATCHING CONDITION
269
10.7
ORBITAL HYBRIDIZATIONS VERSUS FsBz
INTERACTIONS
273
χ
■
Table of Contents
10.8
ROLES OF
VEC
AND e/a IN DESIGNING NEW CMAS
277
10.9
SUMMARY
281
REFERENCES
282
Chapter
11 ■
Conclusions
285
REFERENCES
294
APPENDIX
1 :
ATOMIC SIZE RATIO RULE,
295
APPENDIX
2:
CRYSTAL STRUCTURES OF GAMMA-BRASSES,
299
INDEX,
325
Material Science
Hume-Rothery
Rules for
Structurally Complex
Alloy Phases
With a history that reaches back some
90
years, the Hume-Rothery rules were developed
to provide guiding principles in the search for new alloys. Ultimately, the rules bridged
metallurgy, crystallography, and physics in a way that led to the emergence of a physics
of the solid state in the
1930s,
although the physical implications of the rules were never
fully resolved. Even today, despite a revived interest brought about by the
1984
discovery
of quasicrystals, much about the rules remains an enigma.
Now almost a century after the rules were put forward, Hume-Rothery Rules for
Structurally Complex Alloy Phases provides researchers with an insightful and
applicable interpretation of the Hume-Rothery electron concentration rule. Invoking first-
principle band calculations, the book emphasizes the stability of structurally complex
metallic alloys (CMAs). Written by Uichiro Mizutani, long considered the most knowledgeable
•
Offers a unified interpretation ol phase stabilization mechanism of
(
MAs in
different (lasses
•
Explains how to determine the effective valency ol transition metal
elements
•
Details establishment of d-states-mediated-l sBz
intera«
lions in strongly orbilal-
hybridizing systems
• (
overs the contrast between e/a and
VEC,
two notions of ele<
tron
concentration
parameters and ire
ludes
a way to dilfereniiate between them in designing new alloys
•
Explores strengths and short« ommgs lor the theory on alloy phase stability
•
Discusse?
lhe
latest lake on
elei
tron
concentration for gamma-brass
I his work summarizes the ongoing history of Hume-Rothen and reflet is the theoretical
studies that Professor Mizutani embarked upon to sain deepei understanding ol the
bask physics behind stabilizing
etici
is related to electron concentration. It describes
hou
metallic and covalent bonding styles can be harmonized to
stabili/e a
given phase
in relation to
elet
tron
ι
огн
nitration
and elee
troc hernii
al etfet
t
as defined hv the rules
Bevond
theorv. the approaches presented in these pages
u
ill prove ol great value to
resean hers developing new tune tional metals and alloys
|
| any_adam_object | 1 |
| author | Mizutani, Uichiro |
| author_facet | Mizutani, Uichiro |
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| dewey-ones | 669 - Metallurgy |
| dewey-raw | 669/.9 |
| dewey-search | 669/.9 |
| dewey-sort | 3669 19 |
| dewey-tens | 660 - Chemical engineering |
| discipline | Chemie / Pharmazie Physik |
| format | Book |
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| id | DE-604.BV037385157 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T23:23:10Z |
| institution | BVB |
| isbn | 9781420090581 |
| language | English |
| lccn | 2010030832 |
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| owner_facet | DE-11 DE-703 DE-384 |
| physical | XIII, 342 S. Ill., graph. Darst. |
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| publishDateSearch | 2011 |
| publishDateSort | 2011 |
| publisher | CRC Press |
| record_format | marc |
| spelling | Mizutani, Uichiro Verfasser aut Hume-Rothery rules for structurally complex alloy phases Uichiro Mizutani Boca Raton [u.a.] CRC Press 2011 XIII, 342 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Includes bibliographical references and index Alloys Structure Physical metallurgy Phase rule and equilibrium Hume-Rothery-Phase (DE-588)4160789-2 gnd rswk-swf Intermetallische Verbindungen (DE-588)4162028-8 gnd rswk-swf Legierung (DE-588)4035035-6 gnd rswk-swf Legierung (DE-588)4035035-6 s DE-604 Intermetallische Verbindungen (DE-588)4162028-8 s Hume-Rothery-Phase (DE-588)4160789-2 s Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022538190&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Klappentext Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022538190&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Mizutani, Uichiro Hume-Rothery rules for structurally complex alloy phases Alloys Structure Physical metallurgy Phase rule and equilibrium Hume-Rothery-Phase (DE-588)4160789-2 gnd Intermetallische Verbindungen (DE-588)4162028-8 gnd Legierung (DE-588)4035035-6 gnd |
| subject_GND | (DE-588)4160789-2 (DE-588)4162028-8 (DE-588)4035035-6 |
| title | Hume-Rothery rules for structurally complex alloy phases |
| title_auth | Hume-Rothery rules for structurally complex alloy phases |
| title_exact_search | Hume-Rothery rules for structurally complex alloy phases |
| title_full | Hume-Rothery rules for structurally complex alloy phases Uichiro Mizutani |
| title_fullStr | Hume-Rothery rules for structurally complex alloy phases Uichiro Mizutani |
| title_full_unstemmed | Hume-Rothery rules for structurally complex alloy phases Uichiro Mizutani |
| title_short | Hume-Rothery rules for structurally complex alloy phases |
| title_sort | hume rothery rules for structurally complex alloy phases |
| topic | Alloys Structure Physical metallurgy Phase rule and equilibrium Hume-Rothery-Phase (DE-588)4160789-2 gnd Intermetallische Verbindungen (DE-588)4162028-8 gnd Legierung (DE-588)4035035-6 gnd |
| topic_facet | Alloys Structure Physical metallurgy Phase rule and equilibrium Hume-Rothery-Phase Intermetallische Verbindungen Legierung |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022538190&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022538190&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT mizutaniuichiro humerotheryrulesforstructurallycomplexalloyphases |