Clusters and nanomaterials: theory and experiment
Gespeichert in:
Format: | Buch |
---|---|
Sprache: | English |
Veröffentlicht: |
Berlin [u.a.]
Springer
2002
|
Schriftenreihe: | Springer series in cluster physics
Physics and astronomy online library |
Schlagworte: | |
Online-Zugang: | Inhaltsverzeichnis |
Beschreibung: | XV, 345 S. Ill., graph. Darst. |
ISBN: | 3540418059 |
Internformat
MARC
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084 | |a UM 3181 |0 (DE-625)145877: |2 rvk | ||
245 | 1 | 0 | |a Clusters and nanomaterials |b theory and experiment |c Y. Kawazoe ... (Ed.) |
264 | 1 | |a Berlin [u.a.] |b Springer |c 2002 | |
300 | |a XV, 345 S. |b Ill., graph. Darst. | ||
336 | |b txt |2 rdacontent | ||
337 | |b n |2 rdamedia | ||
338 | |b nc |2 rdacarrier | ||
490 | 0 | |a Springer series in cluster physics | |
490 | 0 | |a Physics and astronomy online library | |
650 | 4 | |a Cluster | |
650 | 4 | |a Nanostrukturiertes Material | |
650 | 4 | |a Metal crystals | |
650 | 4 | |a Nanostructured materials | |
650 | 0 | 7 | |a Cluster |0 (DE-588)4010318-3 |2 gnd |9 rswk-swf |
650 | 0 | 7 | |a Nanostrukturiertes Material |0 (DE-588)4342626-8 |2 gnd |9 rswk-swf |
689 | 0 | 0 | |a Cluster |0 (DE-588)4010318-3 |D s |
689 | 0 | |5 DE-604 | |
689 | 1 | 0 | |a Nanostrukturiertes Material |0 (DE-588)4342626-8 |D s |
689 | 1 | |5 DE-604 | |
700 | 1 | |a Kawazoe, Yoshiyuki |d 1947- |e Sonstige |0 (DE-588)121025683 |4 oth | |
856 | 4 | 2 | |m SWB Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009405312&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
999 | |a oai:aleph.bib-bvb.de:BVB01-009405312 |
Datensatz im Suchindex
_version_ | 1804128578798878720 |
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adam_text | CONTENTS 1 BRIEF INTRODUCTION YOSHIYUKI KAWAZOE, TAMOTSU KONDOW, KAORU
OHNO ................. 1 1.1 PHYSICAL APPROACHES USED IN CLUSTER SCIENCE
. . . . . . . . . . . . . . . . . . . 1 1.2 MAGIC NUMBERS. . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. 2 1.3 COLLISION AND INSERTION . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 3 1.4 INTERMOLECULAR BONDING THROUGH
PHOTOABSORPTION . . . . . . . . . . . . . . 4 1.5 MOLECULAR SOLIDS . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . 5 1.6 TEXTURED MATERIALS AND INTERFACES . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 5 PART I METALLIC CLUSTERS 2 AB
INITIO COMPUTER SIMULATIONS ON MICROCLUSTERS: STRUCTURES AND ELECTRONIC
PROPERTIES VIJAY KUMAR, KEIVAN ESFARJANI, YOSHIYUKI KAWAZOE
................. 9 2.1 INTRODUCTION . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 2.2 COMPUTER
SIMULATION USING FIRST PRINCIPLES APPROACHES . . . . . . . . . 17 2.2.1
SOLVING THE KOHN*SHAM EQUATIONS . . . . . . . . . . . . . . . . . . . .
. . 18 2.2.2 AB INITIO MOLECULAR DYNAMICS . . . . . . . . . . . . . . .
. . . . . . . . . . . 20 2.2.3 CALCULATION OF TOTAL ENERGY . . . . . . .
. . . . . . . . . . . . . . . . . . . . . 22 2.2.4 SIMULATED ANNEALING .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
2.2.5 TIGHT-BINDING METHOD . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . 25 2.2.6 EMBEDDED-ATOM METHOD . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 27 2.2.7 EFFECTIVE MEDIUM THEORY . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . 28 2.3 RESULTS .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . 28 2.3.1 MONATOMIC METAL CLUSTERS . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . 28 2.3.2 CLUSTERS OF
SEMICONDUCTORS. . . . . . . . . . . . . . . . . . . . . . . . . . . . .
54 2.3.3 DOPED CLUSTERS OF METALS . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . 62 2.3.4 DOPED CLUSTERS OF SILICON AND CARBON . .
. . . . . . . . . . . . . . . . . 68 2.4 CONCLUDING REMARKS . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74
REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 76 VIII CONTENTS 3 STABILITY
OF MULTIPLY CHARGED TRANSITION METAL CLUSTERS NAOAKI SAITO, KAZUYOSHI
KOYAMA, MITSUMORI TANIMOTO .............. 89 3.1 INTRODUCTION . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . 89 3.2 EXPERIMENT AND RESULTS . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 89 3.2.1 EXPERIMENTAL
METHODS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
89 3.2.2 EXPERIMENTAL RESULTS . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . 90 3.3 THEORETICAL MODELS. . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 3.3.1
RAYLEIGH MODEL . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . 91 3.3.2 Q -VALUE MODEL . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . 92 3.3.3 BARRIER MODEL
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . 93 3.3.4 COMPARING OBSERVATIONS WITH THE MODELS . . . . . . . .
. . . . . . . . 94 3.4 CONCLUSIONS . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 REFERENCES
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 96 PART II ORGANIC MOLECULES 4
ADSORPTION OF METHANOL MOLECULES ON NICKEL CLUSTER IONS MASAHIKO
ICHIHASHI, RAMKUBER T. YADAV, TAMOTSU KONDOW .......... 99 4.1
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 99 4.2 EXPERIMENTAL ASPECTS . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100
4.3 RESULTS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 102 4.4 DISCUSSION . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . 105 4.4.1 DYNAMICS OF METHANOL ADSORPTION . . . . . . .
. . . . . . . . . . . . . . . 105 4.4.2 STRUCTURE OF ADSORBED METHANOL
MOLECULE . . . . . . . . . . . . . . . 106 REFERENCES . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . 107 5 CLUSTER INVESTIGATIONS IN CYCLODEXTRIN INCLUSION
COMPOUNDS: THEORY AND EXPERIMENT RODION BELOSLUDOV, TAKEHISA YOSHINARI,
TOHRU HIWADA, YOSHIYUKI KAWAZOE, KAORU OHNO, SHIN-ICHIRO NAGASAKA
.............. 109 5.1 INTRODUCTION . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 5.2
ANTHRACENES. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 113 5.2.1 ANTHRACENE IN CYD . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113 5.2.2
THEORY OF ANTHRACENE IN CYD . . . . . . . . . . . . . . . . . . . . . .
. . . . 118 5.2.3 DISCUSSION . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . 121 5.3 SNI 4 . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . 122 5.3.1 SINGLE CRYSTAL OF SNI 4 . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . 122 5.3.2 SNI 4 CLUSTER
IN CYD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. 126 5.3.3 DISCUSSION . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 127 5.4 CONCLUSION . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . 129 REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 CONTENTS IX
PART III FULLERENES AND NANOTUBES 6 THE NANOSTRUCTURE OF C 60
PHOTOPOLYMERS JUN ONOE, TOMONOBU NAKAYAMA, AIKO NAKAO, YUICHI HASHI,
KEIVAN ESFARJANI, KAORU OHNO, YOSHIYUKI KAWAZOE, MASAKAZU AONO, KAZUO
TAKEUCHI ................................................ 135 6.1
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 135 6.2 IN SITU TECHNIQUE FOR STUDYING
THE NANOSTRUCTURE OF C 60 PHOTOPOLYMERS . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137 6.2.1 FTIR
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . 137 6.2.2 XPS . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139 6.2.3
STM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . 140 6.3 PHOTOPOLYMERIZATION IN A C 60 FILM .
. . . . . . . . . . . . . . . . . . . . . . . . . . 141 6.3.1 FTIR:
CROSSLINKING STRUCTURE . . . . . . . . . . . . . . . . . . . . . . . . .
. 141 6.3.2 XPS: DEGREE OF PHOTOPOLYMERIZATION . . . . . . . . . . . . .
. . . . . . . 146 6.3.3 STM: LOCAL NANOSTRUCTURE . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 156 6.4 PHOTOINDUCED COALESCENCE IN A
K X C 60 FILM . . . . . . . . . . . . . . . . . . . . 157 6.4.1
EXPERIMENT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . 158 6.4.2 FTMS: EVIDENCE FOR COALESCENCE BETWEEN C
60 MOLECULES . . 159 6.4.3 FTIR: EVIDENCE FOR THE EXISTENCE OF C 120
BUCKY PEANUTS . . 161 6.4.4 EFFECT OF POTASSIUM DOPING ON C 60
PHOTOPOLYMERIZATION . . . 165 6.5 CONCLUDING REMARKS . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 166
REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 166 7 FORMATION OF
FOREIGN-ATOM-DOPED FULLERENES TSUTOMU OHTSUKI, KAORU OHNO
................................... 171 7.1 INTRODUCTION . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . 171 7.2 EXPERIMENTAL PROCEDURES . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . 172 7.2.1 SAMPLE PREPARATION . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172
7.2.2 CHARGED-PARTICLE AND HIGH-ENERGY BREMSSTRAHLUNG IRRADIATION . . .
. . . . . . . . . . 172 7.2.3 CHEMICAL SEPARATION AND * -RAY MEASUREMENT
. . . . . . . . . . . . 174 7.3 RESULTS . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
175 7.3.1 RADIOCHROMATOGRAM OF NOBLE GAS ELEMENTS (KR AND XE) . . 175
7.3.2 RADIOCHROMATOGRAM OF 4B AND 5B ELEMENTS (GE AND AS) . . 176 7.3.3
RADIOCHROMATOGRAM OF ALKALI, ALKALI-EARTH AND TRANSITION METALS (NA, CA,
SC, V, CR, MN, CO, NI AND ZN) 177 7.4 DISCUSSION . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. 179 7.4.1 PRODUCT MATERIALS . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . 179 7.4.2 MOLECULAR DYNAMICS SIMULATION .
. . . . . . . . . . . . . . . . . . . . . . . 181 7.4.3 SCENARIO FOR
FOREIGN ATOM IMPLANTATION . . . . . . . . . . . . . . . . . 184 7.5
CONCLUSION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 184 REFERENCES . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . 185 X CONTENTS 8 ELECTRONIC, TRANSPORT AND MECHANICAL
PROPERTIES OF CARBON NANOTUBES KEIVAN ESFARJANI, AMIR A. FARAJIAN,
YUICHI HASHI, YOSHIYUKI KAWAZOE . 187 8.1 INTRODUCTION . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . 187 8.2 GEOMETRY AND ELECTRONIC STRUCTURE OF CARBON NANOTUBES . . .
. . . . . 188 8.3 EFFECT OF DOPING ON ELECTRONIC STRUCTURE . . . . . . .
. . . . . . . . . . . . . . . . 194 8.4 TRANSPORT PROPERTIES OF N-P
DOPED NANOTUBES . . . . . . . . . . . . . . . . . 200 8.5 MECHANICAL
PROPERTIES OF CARBON NANOTUBES . . . . . . . . . . . . . . . . . . . 206
8.6 DEFECTS IN NANOTUBES AND THEIR EFFECT ON MECHANICAL PROPERTIES . .
212 8.7 MOLECULAR DYNAMICS SIMULATION OF DEFECT FORMATION . . . . . . .
. . . . . 214 8.8 CONCLUSION . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . 218 REFERENCES . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . 218 9 NANOSTRUCTURAL CHARACTERIZATION OF
INORGANIC MATERIALS BY HIGH-RESOLUTION ELECTRON MICROSCOPY TAKEO OKU
..................................................... 221 9.1
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 221 9.2 SAMPLE PREPARATION AND
STRUCTURE ANALYSIS . . . . . . . . . . . . . . . . . . . . 222 9.3
ATOMIC DISORDERING AND LOCAL MODEL OF YB 56 . . . . . . . . . . . . . .
. . . . 224 9.3.1 HREM ALONG [100] AND [111] OF YB 56 . . . . . . . . .
. . . . . . . . . . . 224 9.3.2 LOCAL YTTRIUM ATOM ARRANGEMENT OBSERVED
ALONG [100] . . . 232 9.3.3 OXYGEN AND MERCURY ORDERING IN HGTLBA 2 CUO
X . . . . . . . . . 236 9.3.4 EFFECTIVENESS OF R HREM VALUES . . . . . .
. . . . . . . . . . . . . . . . . . . 241 9.4 CONCLUSION . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . 242 REFERENCES . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 243 PART IV
THEORY AND COMPUTER SIMULATION 10 PHASE BEHAVIOR IN SYSTEMS OF LARGE
MOLECULES MASAYUKI HASEGAWA
............................................. 247 10.1 INTRODUCTION . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . 247 10.2 THEORETICAL AND SIMULATION METHODS . . . . .
. . . . . . . . . . . . . . . . . . . . . 250 10.2.1 INTEGRAL EQUATION
THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 251
10.2.2 THERMODYNAMIC PERTURBATION THEORY . . . . . . . . . . . . . . . .
. . . 253 10.2.3 DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . 254 10.2.4 SIMULATION METHODS . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . 258 10.3 HIGH
TEMPERATURE PHASE DIAGRAM OF C 60 . . . . . . . . . . . . . . . . . . .
. . . 260 10.4 PHASE BEHAVIOUR OF MODEL SYSTEMS . . . . . . . . . . . .
. . . . . . . . . . . . . . . 266 10.4.1 HSAY SYSTEM . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 266 10.4.2 M
- N POTENTIAL SYSTEM . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . 269 10.5 SUMMARY AND CONCLUSIONS . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 272 REFERENCES . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . 273 CONTENTS XI 11 FORMATION OF FREE CLUSTERS AND
THEIR STRUCTURES: MOLECULAR DYNAMICS SIMULATIONS TAMIO IKESHOJI
.................................................. 277 11.1 INTRODUCTION
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . 277 11.2 FORMATION PROCESS FOR MAGIC NUMBER
CLUSTERS WITH VAN DER WAALS INTERACTION . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 278
11.2.1 LENNARD*JONES POTENTIAL . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . 278 11.2.2 RARE GAS CLUSTERS . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . 279 11.2.3 MD SIMULATION
FOR FORMATION OF MAGIC NUMBER CLUSTERS . . 281 11.3 FORMATION OF CARBON
CLUSTERS AND C 60 . . . . . . . . . . . . . . . . . . . . . . . . 282
11.3.1 C 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . 282 11.3.2 FORMATION OF VARIOUS
60-ATOM CARBON CLUSTERS. . . . . . . . . . . 283 11.4 METAL CLUSTERS . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . 285 11.5 WATER MOLECULAR CLUSTERS . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . 285 11.5.1 POTENTIAL
MODELS FOR WATER MOLECULES . . . . . . . . . . . . . . . . . . . 285
11.5.2 FORMATION OF WATER MOLECULE CLUSTERS . . . . . . . . . . . . . .
. . . . . 286 11.5.3 WATER MOLECULE CLUSTERS WITH CAGED STRUCTURE . . .
. . . . . . . . 286 11.5.4 QUANTUM EFFECTS IN WATER MOLECULE CLUSTERS .
. . . . . . . . . . . . 289 11.5.5 WATER ANION CLUSTERS . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . 289 11.6 MOLECULAR
CLUSTERS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . 291 11.7 CONCLUDING REMARKS . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . 292 REFERENCES .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . 292 12 EXTENDED ENSEMBLE MONTE CARLO
METHOD MASUHIRO MIKAMI ...............................................
295 12.1 INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 295 12.2 PRESENT STATUS AND
EXTENSIONS OF MOLECULAR SIMULATIONS . . . . . . . . . 296 12.2.1
STRUCTURAL ANALYSIS OF ANTIFERROELECTRIC LIQUID CRYSTALLINE MHPOBC. . .
. . . . . . . 296 12.2.2 PRESSURE-INDUCED STRUCTURAL PHASE TRANSITION OF
ALPO 4 . . . 297 12.2.3 EXTENSIONS OF MOLECULAR SIMULATIONS . . . . . .
. . . . . . . . . . . . . . 298 12.3 EXTENDED ENSEMBLE MONTE CARLO
METHOD . . . . . . . . . . . . . . . . . . . . . . 299 12.4 RESULTS AND
DISCUSSION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . 302 12.4.1 MULTIPLE TEMPERATURE*ISOBARIC ENSEMBLE METHOD .
. . . . . . . . 302 12.4.2 ISOTHERMAL*MULTIPLE PRESSURE ENSEMBLE METHOD
. . . . . . . . . . 304 12.4.3 MULTIPLE TEMPERATURE AND PRESSURE
ENSEMBLE METHOD . . . . . 305 12.5 CONCLUSION . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
307 REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . 307 13 MOLECULAR
DYNAMICS SIMULATION FOR DEFORMATION DYNAMICS OF NI/NI 3 AL COMPOSITE
WITH FGM OR NFGM TYPE INTERFACE TOMOYASU AIHARA, TOMOYOSHI SHO,
YOSHIYUKI KAWAZOE .............. 309 13.1 INTRODUCTION . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . 309 XII CONTENTS 13.2 SIMULATION PROCEDURE . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . 311 13.3 RESULTS AND
DISCUSSION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . 313 13.3.1 NI/NI 3 AL FGM CRYSTAL . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . 313 13.3.2 NI/NI 3 AL
NANOCOMPOSITE . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. 315 13.4 CONCLUSION . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . 321 REFERENCES . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . 322 14 SIZE-DEPENDENT EVOLUTION OF
CONDUCTION-ELECTRON EXCITATIONS IN SMALL SPHERICAL PARTICLES TAKESHI
INAOKA ................................................. 323 14.1
INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . 323 14.2 THEORY . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . 325 14.2.1 ELECTRONIC EXCITATIONS IN A SMALL SPHERICAL
PARTICLE . . . . . . . 326 14.2.2 ELECTRONIC EXCITATIONS ON A SPHERICAL
SURFACE . . . . . . . . . . . . . 327 14.3 ANALYSIS . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . 328 14.3.1 SURFACE PLASMON IN A SMALL SPHERICAL PARTICLE . . .
. . . . . . . . . 328 14.3.2 ELECTRONIC EXCITATIONS ON A SPHERICAL
SURFACE AND ON A FLAT PLANE . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . 334 14.4 CONCLUDING REMARKS . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 338
REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . 338 INDEX
......................................................... 341
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author_GND | (DE-588)121025683 |
building | Verbundindex |
bvnumber | BV013757154 |
callnumber-first | Q - Science |
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ctrlnum | (OCoLC)248144081 (DE-599)BVBBV013757154 |
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dewey-sort | 3546.3 |
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discipline | Chemie / Pharmazie Physik |
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id | DE-604.BV013757154 |
illustrated | Illustrated |
indexdate | 2024-07-09T18:51:29Z |
institution | BVB |
isbn | 3540418059 |
language | English |
oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-009405312 |
oclc_num | 248144081 |
open_access_boolean | |
owner | DE-703 DE-29T DE-20 DE-355 DE-BY-UBR DE-526 |
owner_facet | DE-703 DE-29T DE-20 DE-355 DE-BY-UBR DE-526 |
physical | XV, 345 S. Ill., graph. Darst. |
publishDate | 2002 |
publishDateSearch | 2002 |
publishDateSort | 2002 |
publisher | Springer |
record_format | marc |
series2 | Springer series in cluster physics Physics and astronomy online library |
spelling | Clusters and nanomaterials theory and experiment Y. Kawazoe ... (Ed.) Berlin [u.a.] Springer 2002 XV, 345 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Springer series in cluster physics Physics and astronomy online library Cluster Nanostrukturiertes Material Metal crystals Nanostructured materials Cluster (DE-588)4010318-3 gnd rswk-swf Nanostrukturiertes Material (DE-588)4342626-8 gnd rswk-swf Cluster (DE-588)4010318-3 s DE-604 Nanostrukturiertes Material (DE-588)4342626-8 s Kawazoe, Yoshiyuki 1947- Sonstige (DE-588)121025683 oth SWB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009405312&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
spellingShingle | Clusters and nanomaterials theory and experiment Cluster Nanostrukturiertes Material Metal crystals Nanostructured materials Cluster (DE-588)4010318-3 gnd Nanostrukturiertes Material (DE-588)4342626-8 gnd |
subject_GND | (DE-588)4010318-3 (DE-588)4342626-8 |
title | Clusters and nanomaterials theory and experiment |
title_auth | Clusters and nanomaterials theory and experiment |
title_exact_search | Clusters and nanomaterials theory and experiment |
title_full | Clusters and nanomaterials theory and experiment Y. Kawazoe ... (Ed.) |
title_fullStr | Clusters and nanomaterials theory and experiment Y. Kawazoe ... (Ed.) |
title_full_unstemmed | Clusters and nanomaterials theory and experiment Y. Kawazoe ... (Ed.) |
title_short | Clusters and nanomaterials |
title_sort | clusters and nanomaterials theory and experiment |
title_sub | theory and experiment |
topic | Cluster Nanostrukturiertes Material Metal crystals Nanostructured materials Cluster (DE-588)4010318-3 gnd Nanostrukturiertes Material (DE-588)4342626-8 gnd |
topic_facet | Cluster Nanostrukturiertes Material Metal crystals Nanostructured materials |
url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009405312&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
work_keys_str_mv | AT kawazoeyoshiyuki clustersandnanomaterialstheoryandexperiment |