Inhaltsverzeichnis

Vorwort

Preface

"The scientist does not study nature because it is useful; he studies it because he delights in it, and he delights in it because it is beautiful. If nature were not beautiful, it would not be worth knowing, and if nature were not worth knowing, life would not be worth living. "

Henri Poincaré (1854 - 1912)

The ancient Greeks, quite ingeniously, realised that all materials and their (now known as macroscopic) properties, including life itself, are due to a limited number of tiny, constantly moving building blocks and the connections (now called interactions) between these blocks. Receiving both scientific and non-scientific opposition, the idea faded and, despite some renaissance of atomistic ideas in the 17-19th centuries, it still took more than two thousand years, until the time of Einstein, for the idea of microscopic building blocks to be fully accepted. These ideas, begun during the golden age of physics in the 20th century, have led to a comprehensive understanding of such states of matter as gases and solids, which in turn have completely revolutionised everyday life in the developed world by introducing technological wonders such as modern cars, air traffic, semiconductor chips for computers and nuclear power. Another state of matter, fluids, appeared to be much more difficult to tackle, even in the case of simple liquids like liquid argon, a research favourite in the field. Legend tells that Lev D. Landau, Physics Nobel Laureate, was said to have commented that there could be no theoretical physics of liquids, as they have no small parameters. Nonetheless, as the 20th century advanced, it also became possible to treat even this most slippery of subjects due, in part, to the introduction of computers and the development of computer simulation methods like molecular dynamics. The 20th century brought yet another revolution: the industrial production of novel classes of materials, which simply did not exist before. For instance, almost every aspect of our everyday life would change immeasurably if plastics should disappear and life would turn "blind", "deaf" and rather miserable without liquid crystals for computer screens or mobile phones. Such new materials were given the name complex fluids, and their building blocks are not simply atoms or small molecules, but include block copolymers, surfactants, amphiphiles, colloids, liquid crystals, biomacromolecules, such as proteins and DNA, and various composites of the above. Complex fluids possess features of both fluids (for instance, they can flow) and solids (they can have an internal structure often with various well resolved symmetry groups). These structures have a characteristic scale for their building blocks which is in the range of nanometers to microns, but the building blocks can be made (synthesised) with various degrees of complexity, so more than one size scale can be involved. Some structures can be formed spontaneously from a homogeneous mixture of the building blocks, a process referred to as self-assembly, which can be hierarchical and occur on various time scales depending on the complexity of the building blocks. Self-assembly is related to self-organization, which makes complex fluids similar to living matter, so they can serve as model systems for biological systems and bioinspired materials. In the last decades of the 20th century the term complex fluids started to be substituted by a more general one that is better suited to the overall concept of condensed matter: soft matter. The transition between millennia was marked by a burst of soft matter research, due, in part, to the fact that computers had then reached a level of power allowing the simulation of experimental size systems, thus enabling the very first "virtual experiments" of such complex systems to be performed. This development made the links between theory and experiment truly symbiotic.

Nanostructured soft materials, even apart from future technological perspectives beyond our imagination, are fascinating and beautiful. This research field is growing so fast that there has been no single book that provided an overview of the many different perspectives on both fundamental concepts and recent advances in the field. A group of very enthusiastic contributors has now filled this gap; and the present book is the first comprehensive monograph on nanostructured soft matter. It covers materials ranging in size from short amphiphilic molecules to block copolymers to proteins and also discusses colloids, hybrids, microemulsions and bio-inspired materials such as vesicles. Each chapter is written by active world-class researchers in the field who offer the reader an interdisciplinary view from differing perspectives. They combine the experimental approaches of Chemistry and Physics, e.g. scattering techniques, electron and Atomic Force microscopy, with various Theoretical Physics, Mathematics and advanced computer modelling methods. We hope the book will be useful for both active and starting researchers as well as for undergraduate students; or, citing one of the anonymous referees of the original proposal for this book: "There is something for everyone in this book and it would represent a very useful text for those both operating at the forefront of nano-science and those entering the field ..."

I wish to thank the publishers at Canopus for assistance in the production of this book. I also thank Drs. R. McCabe, S. V. Kuzmin and N. Kiriushcheva. My editorial effort is dedicated to Prof. A. V. Zatovsky (1942-2006), who first introduced me to the wonders of Soft Matter.

Preston, Lancashire, January 2007

Klappentext

Nanoscience and Technology

A.V. Zvelindovsky

Editor

Nanostructured Soft Matter

Experiment, Theory, Simulation and Perspectives

This book provides an interdisciplinary overview of a new and broad class of materials under the unifying name Nanostructured Soft Matter. It covers materials ranging from short amphiphilic molecules to block copolymers, proteins, colloids and their composites, microemulsions and bio-inspired systems such as vesicles. The book considers several fundamental questions, including: how self-assembly of various soft materials with internal structure at the nanoscale can be understood, controlled and in future used in the newly emerging field of soft nanotechnology The book offers readers a view on the subject from different perspectives, combining modern experimental approaches from physical chemistry and physics with various theoretical techniques from physics, mathematics and the most advanced computer modelling. It is the first book of this sort in the field. All chapters are written by leading international experts, bringing together experience from Canada, Germany, Great Britain, Japan, the Netherlands, Russia, Singapore, Spain and the USA. The book is oriented towards active researchers as well as undergraduate and graduate students.

ISBN   978-1-4020-6329-9

Register

Index

a helices, 573

ß strands, 573

θ solvent, 304, 314

3D simulation methods, 269

A

ab-initio, 437, 439
aerylonitrile, 35
AFM, 57, 70
- height image, 73, 76
- tapping-mode, 72
agglomeration, 29
aggregation, 67
- number, 312
air matrix, 64
alignment, 171, 252
- large scale, 201
- parallel, 180, 209
- perpendicular, 180, 209
alkoxide, 39
alkyl chain, 119
alkyltrimethylammonium halide, 39
AMBER, 561, 568
amphiphiles, 3, 8, 397, 529
amplitude equation, 374
Anderson thermostat, 589
annealing, 90
aqueous medium, 67, 99
Asakura-Oosawa-Vrij model, 424, 425

B

Babinet's principle, 104
bacteria, 5
- Bancroft rule, 12
bath variables, 440
BCC-spheres, 46, 363
beads, 531, 539, 541
bending elastic modulus, 15
benzyl alcohol, 61
Berendsen's barostat, 565
- thermostat, 565
Bessel function, 105
bicontinuous, 46, 236, 272
- double gyroid (GYR) structure, 479
- interfacially jammed emulsions
- (bijels), 606
- microemulsions, 3, 36
bilayers, 530, 543
bimodal distribution, 60
binary mixtures, 399, 593, 603
- hard-sphere, 425
binary systems, 6
binary water-surfactant system, 8
bio-inspired systems, 529
biomimetic, 5
biomineralisation, 5
biopolymers, 563
birefringence, 217
Bjerrum length, 304
blends, 159, 356
blob size, 134, 136
block copolymer, 199, 273, 283, 287, 301, 327, 371, 478, 515
- ABA, 234, 247, 482, 516
- ABC, 79, 344, 356, 360, 371, 519
- larger-molecular-weight, 59
- multi-component systems, 349
- smaller-molecular-weight, 59
- solutions, 61
- star, 483
- thin films, 68
boundary conditions, 478
- stick, 597
boundary velocity, 377, 385
Bragg condition, 108
branching chain, 471
Brazovskii (Hartree) fluctuation
- corrections, 331, 335
Brazovskii energy, 373
Brazovskii equation, 373
Brownian dynamics (BD), 258, 536, 589
butadiene, 35
butterfly patterns, 160

C

canonical ensemble, 468, 472, 564
capacitor, 209
capillary length, 605
cells, 529
central miscibility gap, 19
chain stiffness, 542
Chapman-Enskog expansion, 592, 595
charge, 304, 397
charge annealing effect, 137
CHARMM, 561, 568
CHCI₃ , 210
chemical potential, 280, 471, 486
chloroform, 61, 71, 208, 245
cluster analysis, 574
cluster expansion, 426
coagulation, 25, 28
coalescence, 25, 28, 65
coarse-graining, 396, 439, 446, 535, 609
coarsening, 375
- kinetics, 238
coil regions, 573
colloid, 26, 396, 440, 587, 598
charged, 413
- nanoparticle mixtures, 421
- polymer mixture, 422, 424
- soft, 429
colloidal hydrodynamics, 599
colloidal suspensions, 35, 397, 596
complex fluids, 587
conductivity, 24
confinement,
- effects, 242
- high, 599
- nano, 496, 498, 519
conformational asymmetry parameter, 166
conformational space, 580
connectivity, 273, 278, 285
conservative force, 541, 608
convection-diffusion equation, 595
convex bodies, 275
core, 133, 140, 302, 312, 317
corona, 133, 135, 140, 144, 153, 302, 310, 312
correlation function, 329
- direct, 351, 410
correlation volume, 315
cosurfactant, 12
counterion, 131, 135, 142, 302, 413, 417
- density profile, 418
- free, 311
crew-cut structures, 129
critical charge fraction, 135, 147
critical micelle concentration, 9, 310, 312
crosslinking, 38, 54
crystalline solid, 108
curvature, 546
- spontaneous, 6, 13, 18
- energy, 6
- Gaussian, 7, 13, 100
- mean, 100, 283
- natural, 7
- radii of, 100
cutoff
criterion, 561
cylinders, 33, 174, 231, 235, 272, 283, 504, 522
core-shell, 80
- parallel, 505
- perpendicular, 505
cylindrical,
- geometry, 15
- mesh, 478
- mesophase, 220
- micelles, 320
- microdomain, 201
- pores, 520

D

D22
diffractometer, 140
Daoud-Cotton blob, 134, 146
Debye screening length, 15
defect, 195, 219, 223, 249, 254, 272
- annihilation, 254
- coalescence, 182
dynamics, 254, 257
- horse-shoe, 255
- motion, 225, 256
- open ends, 256
- removal, 293
- topological, 254, 273, 375
degree of microphase separation, 286
degree of neutralization, 138, 147
degree of polymerization, 328
density correlations, 131
density functional theory, 407, 474
dynamic, 212, 218, 242, 246, 258, 461, 505, 520,
depletion forces, 27
deuterium, 118, 244
- nucleus, 117
dewetting, 238
diblock copolymers, 45, 159, 171, 287, 332, 371, 480, 531, 544
- amphiphilic, 129
- asymmetric, 172
- cylinder-forming, 511
- lamellae-forming, 70, 507
- symmetric, 176
- thin films, 499
dielectric constant, 191, 201, 209
dielectric contrast, 204
dielectric permittivity, 303
differential scanning calorimetry (DSC), 168
diffusion, 25
- coefficient, 601
- constant, 578
- model, 65
dilute salt free solution, 304
dimers, 25
dimyristoylphosphatidylcholine, 531
dipalmitoylphosphatidylcholine
- (DPPC), 546
direct simulation Monte Carlo (DSMC), 610
Dirichlet boundary condition, 478
disclination, 255, 376
displacement field, 209
dissipative force, 541
dissipative particle dynamics (DPD), 258, 537, 589, 607
distribution function theory, 409
DLVO theory, 418, 420, 587, 611
domain evolution, 375, 606
double gyroid, 49, 54, 62, 334, 348
- channel, 67
double wave pattern, 53
drug delivery vehicles, 544
DSSP, 573
dynamic behavior, 231, 236, 253
dynamic exchange, 119
dynamic GRPA, 487
dynamic moduli, 155
dynamic shear moduli, 164

E

Edwards equation, 470
effective Hamiltonian, 400, 405
effective interaction, 397, 404, 607
effective potential, 557
eigenvector, 580
El Nino current, 272
elastic energy, 306
electric charge screening, 10
electric field, 171, 199, 209
- DC, 201
- induced alignment, 226
- oblique, 221
- threshold strength, 179, 220
electro-optical birefringence, 16
electrodes, 203
electron densities, 110
electrostatic blobs, 304
electrostatic interactions, 414
ellipsoidal domains, 186
emulsification, 25
emulsion polymerisation, 34
emulsion preparation, 27
entanglement, 437, 449
entropy, 9
- confinement, 308
- conformational, 46, 306
- driven surface segregation, 236
effects, 22
- translational, 22, 46
epitaxial transition, 480
equilibria
- three-phase, 7
- two-phase, 7

ergodic hypothesis, 569
erucyl bis-(hydroxyethyl)
- methylammonium chloride, 456
erythrocyte membrane, 533
Espresso code, 536
essential dynamics, 566, 580
etching, 76
ethylene oxide, 10, 15, 119
ethyleneoxide monoalkylether, 25
Euler characteristic, 275, 277, 283, 289
evaporation/condensation mechanism, 65
exchange kinetics, 22, 25
excluded-volume interactions, 310, 422
exponential relaxation time (ERT)
- model, 591
external fields, 602

F

FCC, 343
ferroelectric particle, 27
FF-TEM, 18
field-emission gun (FE-SEM), 51
filaments, 33
first-stage ordering process, 81
Flory-Huggins model, 279, 351, 470
flow,
- elongational, 194
- shear, 115 fluctuation, 134, 146, 178, 181, 272, 454, 504, 566, 580, 603
- composition, 183
- conformai, 181
- dissipation theorem, 446, 474, 541, 589, 609
- induced attraction, 314, 320
- non-conformal, 181
- perpendicular cylinder, 515
- shape, 22

force field, 557, 559

forced Rayleigh scattering (FRS), 254

four-atom interaction potential, 558

four-point scattering pattern, 174
Fourier harmonics, 331
Fourier transform, 104, 132, 224, 329, 350, 403, 466

free energy, 329, 330, 473, 594

friction, 443, 447

functional derivative, 486

fusion, 457

G

G family, 347, 364
G₂ lattice, 347
Galilean invariance, 610
Gauss-Bonnet theorem, 16
Gaussian chain, 64, 203, 279, 304, 463, 491
Gibbs adsorption isotherm, 8
Gibbs phase rule, 11, 17
Gibbs triangle, 4, 11, 19, 32
Gibbs-Thomson effect, 66
Ginzburg parameter, 351
Ginzburg-Landau free energy, 372, 484
glycocalix, 129
grain, 255
- boundaries, 49, 252, 376, 377, 383
- rotation, 184, 218, 223
grand canonical ensemble, 469, 473
Green-Kubo formula, 578
GROMACS, 568
GROMOS, 560, 568

H
half-cylinders, 243
half-lamella, 75, 77
hard sphere, 133, 152
head group, 10, 110, 541
Helfrich free energy, 13, 24
Helfrich-Hurault undulations, 181
helices, 522
heterogeneous nucleation, 35
hexagonal arrays, 33
hexagonal doughnut pattern, 53
hexagonal symmetry, 333
hexagonal-lamellar transition, 168
hexagonally packed cylinder (HEX)
- structure, 46, 285, 479
hexagonally perforated lamellar
- structure (HPL), 479
hexagons, 73
hexanol, 12
hierarchical structuring, 5
Hildebrand approximation, 356, 359
holes, 236
hollow loops, 130
homo-atomic parameters, 559
homogeneous nucleation, 34
homopolymers, 159
honeycomb-like pattern, 73
Hookean springs, 542

hybrids, 62, 69, 522
hydrocarbon chain, 9 hydrodynamic fields, 591
hydrodynamic interactions, 65
hydrogen bond breaking, 10
hydrogen-terminated silicon, 71
hydrophilic, 7, 530
hydrophobic, 7, 9, 530
- alkyl chain, 100
- core, 130
hypernetted-chain approximation, 411

I

Ia3d space group symmetry, 112, 334
Im3m, 112
image functionals, 273
improper dihedral angle vibration, 558
in-situ SANS, 181, 216
in-situ synchrotron SAXS, 217
incompressibility condition, 471
incompressibility limit, 353
indium tin oxide, 69
initial order, 221, 223
inner-corona region, 148
inorganic particle-surfactant assemblies, 6 instability, 225, 379, 390
inter-micelle structure, 150
inter-particle interference, 107
interactions
- bonded, 558
- electrostatic, 559
induced, 399
induced pair, 406
interfacial, 172, 176
- long-range, 46
- non-bonded, 558
- non-conservative, 609
- short-range, 46, 70
- van der Waals, 46, 559
inter droplet exchange, 31
interface, 59, 293, 606
internal, 12
interfacial energy, 28, 177, 220, 233
interfacial tension, 7, 28, 34, 48, 159, 255, 389
ionic impurities, 189
ionization, 138, 139
ions, 130
IR spectra, 138, 192, 550
islands, 236, 238
- Jarvis-Patrick algorithms, 574

K

Kapton film, 176
kinetic behavior, 238
kinetic modelling, 607
kinetic pathways, 94
kinetically stabilised systems, 4, 7, 28
Kuhn length, 304

L

Lagrange multiplier, 475
lamellae, 47, 61, 234, 272, 283, 499
- alternating, 56
- double-mixed, 502
liquid crystals, 41
- microdomain, 201
- mixed, 502
- P2VP, 57
- parallel, 68, 70, 77, 81, 86, 502
- perpendicular, 48, 68, 86, 88, 501
- PI, 57
- symmetry, 333
- three phase coexisting, 79, 87
Landau Hamiltonian, 328
Landau instability, 332
Langevin equation, 445
Laplace pressure, 26
lattice Boltzmann (LB), 590
lattice disordered spheres, 189
lattice gas cellular automata (LGCA), 590
lattice models, 496
leap-frog method, 564
Legendre transform, 407
Lennard-Jones, 14, 559, 611
Li ions, 189
Liebler energy, 373
Lifshitz line, 358
Lifshitz number, 351
light scattering, 161
LINCS, 558
line tension, 547
linear response function, 404, 417
Linkam CSS450
- shear cell, 163
lipids, 530
liposomes, 546
liquid crystalline arrays, 40
liquid-like reflection, 113
liquid-like structure, 106
lithium chloride, 190
lithium-polymer complexes, 191
local electroneutrality, 308
London forces, 559
long range ordered features, 237
long-range effect, 86
long-range order, 188
loss modulus, 155
Louiville operator, 442
Lowe-Anderson thermostat, 609
lyonematics, 114
lyophilic, 397
lyophobic, 397

M

macroemulsions, 7, 25, 28
macroions, 398, 415
macromolecules, 396
macrophase separation, 56
macroscopic director order, 121
magnetic field, 115, 119
magnetic memory density, 70
Markov process, 547
Maxwell equation, 204
Mayer functions, 427
mean breadth, 275
mean-spherical approximation, 411
melt, 372
membrane, 62, 529, 543, 610
- bending modulus, 536
- fusion, 547
mesh-like structure, 81
Meso-Dyn, 220, 256, 489
mesoporous materials, 5

mesoscopic hydrodynamics, 386
mesoscopic modelling, 372, 530, 587
Mesoworm model, 457
metal ions, 29, 69
metastable states, 94, 280
methyl methacrylate (MMA), 36
Metropolis algorithm, 547
micellar aggregates, 4

micellar cubics, 112
micellar nucleation, 36
micelle center of mass structure factor, 132
micelle, 8, 302, 328
- aggregation number, 132, 303
- anisotropic, 105
- charged, 144
- crew-cut, 320
- disk shaped, 114
- double-tailed, 320
- fully charged, 153
- interpenetrating, 154
- inverse, 10
- polyampholyte, 314
- polyelectrolyte, 302, 309
- polyelectrolyte copolymer, 130
- reverse, 10, 31, 323
- rod-like, 40, 115
- salt-free, 149
- star-like, 316, 320
- wormlike, 453
micellisation, 9

microcanonical ensemble, 564
microdomain spacings, 251
microemulsion, 3, 12, 28, 159
- one-phase, 20
- polymeric, 160
microion plasma, 420
microphase, 328
- separation, 46, 56, 72, 327
Mie-scattering, 32
miktoarm ABC copolymers, 356
Millar indices, 108
Minkowski functionals, 273, 280
missing neighbor effect, 501, 519
molecular dynamics (MD), 438, 534, 555, 588
- coarse-grained, 535, 542
- steered, 566, 581
- trajectories, 569
molecular visualization, 570
momentum transfer, 132, 141, 153
monatomic gas, 105
monomolecular brush, 75
monomolecular film, 73
Monte Carlo, 495
- off-lattice, 536
morphological image analysis, 269
morphological tailoring, 5

morphology, 327
- association, 139
- checkerboard, 511
- body-centered cubic sphere (BCC), 333, 479
- lamellar, 71, 220, 479
metastable, 255
- non-bulk, 240
- non-conventional, 340
- nonequilibrium, 194
multi-phase equilibria, 3

multiple scale approach, 374

N

NAMD, 568
nanochannels, 67
nanocolloids, 611
nanofabrication, 48
nanohybrids, 55
nanolithography, 372
nanoporous, 5
nanoreactor, 3, 323
nanorods, 33
nanostructure, 70, 258
nanostructured biopolymers, 555
nanotechnology, 199, 372
nanotomography, 244
Navier-Stokes equation, 589, 593
nearest neighbor, 496
nematic liquid crystals, 387
Neumann boundary condition, 478
neutron scattering, 23
Newtonian fluids, 387
non-electrolyte plating, 67
non-equilibrium structure, 75, 84, 93
nonlinear response, 404, 417
Nose-Hoover thermostat, 564
nuclear magnetic resonance (NMR), 12, 116
nucleation and growth, 29, 217, 223
nucleation centers, 219

O

Ohta-Kawasaki energy, 373
oil-in-water, 3
one-component system, 400
Onsager kinetic operator, 373
Open Computational Tool for Advanced
- material technology (OCTA), 462
OPLS, 560
- force field, 570
order parameters, 125, 202
order-disorder concentration, 206
order-disorder transition, 169, 212, 233, 327, 371, 382
order-order transition, 186, 255
organosiloxane, 39
orientation, 199
- lamellar, 248
- long-range, 193
- mixed, 176
- parallel, 90, 172, 203, 217, 382
- perpendicular, 203, 382
- transverse, 382
Ornstein-Zernike relation, 411
orthogonal fields, 193
orthorhombic lattice, 366
osmotic pressure, 67, 135
osmotic regime, 306, 311, 319
Ostwald ripening, 26, 65
outer-corona region, 148
ozonolysis, 49

P

P2VP, 49, 62, 72
packing configuration, 15
packing parameter, 9
Pake powder pattern, 118
palladium acetylacetonate, 61
palmitoyloleoyl phos
phatidylethanolamine (POPE), 546
parallel computing, 562
partial melting, 293
partial molar volumes, 132
particles,
- amorphous, 29
- ceramic precursor, 27
- crystalline, 29
- latex, 6, 34, 36
- magnetic, 5, 27
- metal, 31
- metal nano, 55, 91
- monodisperse nano, 27
- nano, 5, 27, 396
- non-interacting, 105
palladium nano, 56, 91
- quasi-crystalline, 29
- silver, 31
- soft, 428
- superconducting, 27
path integral, 469
pattern analysis, 270
pattern formation, 279
patterned-homogeneous surfaces, 507
PAXY diffractometer, 140
PDMS, 176
pentadecylphenol, 337
Percus-Yevick approximation, 133
periodic boundary conditions, 500, 563
perturbation theory, 401
pH, 303, 323
phase
- Fddd, 336, 343, 366
- behaviour, 12
- bicontinuous, 11, 100
- bicontinuous cubic, 100, 112
- coexistence, 124
- crystalline surfactant, 5, 39
- cubic, 4
- cylindrical, 232
- dilute micellar, 105
- disordered, 333
- droplet, 11, 14, 21
- gel, 124
- gyroid, 232, 272, 283
- hexagonal, 4, 40, 100, 105, 111, 124, 165, 376
- hexagonally perforated, 113
- intermediate, 100, 113
- inversion temperature, 27
- isotropic, 100
- isotropic micellar, 105
- lamellar, 4, 24, 100, 108, 165, 374, 375, 382
- liquid crystalline, 6
- lyotropic, 100
- mesh, 100, 105, 113
- micellar cubic, 100
- nematic, 100, 105, 114
perforated lamellar, 243
PI, 62
- random mesh, 113
- ribbon, 100
- second order transition, 328, 595
- solid, 6
- sponge, 79, 105
- thermodynamically stable, 11
- transition, 122, 162
- transient, 255
PHEMA, 205
phospholipids, 541
photonic crystals, 372
PI, 72
PI globules, 74
PI homopolymer, 50
pinning, 375
pixel, 282
PMMA, 69, 235, 510
Pn3m, 112
Poisson statistics, 31
Poisson-Boltzmann equation, 308
poly(ethylene)-b-poly(ethylene oxide), 160
poly(ethylene-oxide) (PEO), 160, 545
poly(ethylene-oxide)-polyethylethylene
- (PEO-PEE), 531, 545
polyampholytes, 302
polybutadiene, 237
polydispersity, 22, 28, 33
polyelectrolyte, 302, 397, 411
- brushes, 129
- corona, 130
- regime, 306, 311, 318
- stars, 302, 305
- tail, 309
polyethylene, 160, 445
polyethylene melts, 450
polymer, 397, 469
- concentration, 215
- networks, 6

polymersome, 531, 543
polymethacrylate, 35
polymorphism, 3

polystyrene (PS), 67, 172, 237, 510
- homopolymer, 50
- layers, 337
pore formation, 547
porous polymeric films, 37
potential of mean force, 446
precipitation, 5

preferential attraction, 234
primitive model, 413
projection operator, 441
propagator, 442
protein, 572
- secondary structure, 573
protocols of Luzzati, 105
PS-b-PMMA, 172, 180, 201
PS-PMMA, 509
pseudomacroions, 398

Q

quadrupolar contributions, 117
quasi-conserved system, 67
quasimonomers, 351
quaternary ammonium salt, 37

R

R3m, 114, 124
radial density function, 106
radical polymerisation, 34
radio-frequency energy, 117
radius of gyration, 465, 573
random copolymers, 172
random force, 444, 541
random phase approximation, 330, 350, 412, 416, 484, 489
Rayleigh-Debye-Gans scattering
- pattern, 161
reaction kinetics, 6

reduced critical roughness parameter, 89
reduced Flory interaction parameter, 328
reorientation kinetics, 205, 214
reptation dynamics, 437, 475
repulsive screened Coulomb potential, 133, 152
response theory, 401
restricted model, 317
reverse micellar aggregates, 4
Reynolds number, 389
rheology, 159, 162
rhombohedral mesh, 113
rigidity, 6
- bending constant, 15
rod-box models, 112
rodlike polymers, 130, 397
root mean square deviation (RMSD), 571
root mean square fluctuation, 579
Rouse model, 454, 475

S

S₄₇ H₁₀ M43, 202
S49M51, 202
S50I50, 202
saddle splay modulus, 16
SALS, 164, 165
salt, 313, 413
- concentration, 15, 136
- induced contraction, 147
- free, 414
SB1, 238
SB2, 238
SB3, 238
SBS, 246
scaling laws, 140
scaling theory, 301
scattering,
- angle, 132
- centres, 102
- factor, 329
- atomic, 104
- function, 219, 485, 491
- intensity, 104, 132, 202
- azimuthal, 206
- length contrast, 132
- pattern, 107
- vector, 103, 183
Scherk's first surface, 50
scission energy, 455
screened Coulomb interactions, 398
second shell harmonics approximation, 344
second-stage ordering process, 81
secondary ion mass spectroscopy
- (SIMS), 244
segmental motion, 235
segregation parameter, 288
selectivity parameter, 357
self-assembly, 55, 86, 129, 302, 371, 542
- monomers, 239
surfactant systems, 3

self-consistent field (SCF) theory, 233, 278, 334, 462, 467, 476, 504, 542, 547
- dynamic, 203, 223, 279, 476, 542
self-consistent potential, 471
self-diffusion coefficient, 453
SETTLE, 558
SFM, 234, 243
- height image, 84
SHAKE, 558
shape deformation, 533
shapes, 270
shear, 154, 159, 193, 223, 252, 280, 285, 293, 387, 481
- alignment, 160, 381
- relaxation modulus, 454
- induced deformation, 251
- induced demixing, 159
- induced mixing, 159
- induced phase separation, 164
silica, 5, 39
siloxane, 39
Simulation Utilities for Soft and Hard
- Interfaces (SUSHI), 462
single gyroid, 364
small angle neutron scattering (SANS), 18, 23, 131, 143, 162, 174, 180, 244
smoothed particle dynamics, 609
SNARE-mediated fusion, 546
soft biomaterials, 542
soft materials, 159, 395
solubilisation limit, 22
solution, 205, 208, 211, 226, 302, 319, 563
structure factor, 133
solvent, 61, 396, 440, 468, 535, 563, 575, 589
- apolar, 10
- diluent, 34
- accessible surface area (SAS A), 572
- casting, 208, 213
- evaporation, 213, 245
- non-ideal, 593
- non-selective, 81, 209
- vapor treatment, 81
SPC, 563
sphere-to-cylinder transition, 187
spheres, 130, 272, 283, 522, 602
spherical droplets, 23
spherical geometry, 15
spherical mesh, 478
spherical nanoparticles, 30
spin-casting, 69
spinodal condition, 357
spinodal decomposition, 596, 605
spontaneous emulsification, 12
stabilisation, 27
stability, 320, 340, 391
star polymers, 134, 429
statistical mechanics, 7

statistical weight, 463
stochastic rotation dynamics (SRD), 607, 610
Stokes' law, 12
storage modulus, 155
stress tensor, 387, 592
STRIDE, 573
strong segregation approximation, 177, 328
structural evolution, 12
structure factor, 104, 131, 143, 577
- partial, 144, 145, 149
static, 403, 416
styrene, 35, 36
subchain, 471
substrate, 68, 71, 172, 235
- carbon coated, 240
- effect, 87, 92
- hexagonally-patterned, 512
- ITO, 88
- long-range effect, 94
- modified, 173
- nano-patterned, 507
- polyimide, 79, 86
silicon, 173
SiO_x , 86, 239
square-patterned, 513
stripe-patterned, 513
supported thin films, 235
supra-molecular assemblies, 156
surface
- antisymmetric, 502, 510
- area, 275, 283
- area per molecule, 110
- fields, 235, 239
- free, 239
- homogeneous, 499
- induced alignment, 70, 81, 178
- induced orientation, 180
- nanopatterned, 253
- neutral, 86, 513, 514
- non-neutral, 70
- patterned, 86, 91
- relief structures, 237
- roughness, 88
stepped, 90
stripe patterned, 510
structures, 245
symmetric, 502, 510
- tension, 8, 605
- water/air, 8

surfactant, 3, 5
- concentration, 8
- ionic, 9
- mediated synthesis, 39
- non-ionic, 10, 15, 119
- ternary water-oil system, 10
- water systems, 99
suspension polymerisation, 34
suspensions, 610
swelling, 209
Swift-Hohenberg equation, 373
swollen film, 245
swollen polymer network, 65
symmetric blend, 166
synchrotron SAXS, 202

T

T-junctions, 178
tadpole configuration, 309
tadpole heads, 310
tails, 541
Tanford effect, 9
template, 3, 48
tension induced fusion, 548
ternary phase diagram, 200
ternary system, 3, 6
terpolymer, 71
- SVT triblock, 81
terrace, 90, 238, 255
thermal blobs, 309
THF, 82, 205
thickness quantization, 70
thin films, 47, 74, 171, 183, 201, 233, 481, 498
triblock terpolymer, 78
three-body interaction, 314, 405, 542
- function, 558
three-dimensional order, 193
three-phase equilibria, 4

three-phase region, 20
tilt boundaries, 378
time constants, 216
TIP4P, 563
toluene, 222
topography, 85, 241
topological equivalance, 277
topological invariants, 277
torque, 225
torus, 283, 522
transmission electron microscopy
- (TEM), 12, 32, 38, 50, 62, 68, 70, 82, 131, 139, 172, 180, 185, 234, 337
Twentanglement, 449
twist boundaries, 379
two-component mixture, 400
two-dimensional lattice, 111
two-phase region, 20
two-scale-length behavior, 354
two-spot pattern, 174

U

ultrathin films, 83
undulation, 180, 219, 511
- instabilities, 221, 235
unimers, 309, 314
unrestricted model, 317
UV-O₃ treatment, 76

V

valence, 305, 312, 422
vapor pressure, 246
velocity autocorrelation function, 579, 600, 602
Verlet's method, 564
vertices, 341
vesicle, 10, 130, 529, 543
- fusion, 545
- lipid, 544
- multi-lamellar, 4
- synaptic, 548
virtual free energy, 340
viscoelasticity, 155, 435, 455
viscosity, 154, 201, 205, 211, 387, 454, 591
- zero-shear, 456
volume, 283
vorticity, 601

W

water, 303, 563
water cluster, 9
water-in-oil, 3
weak crystallization, 332
weak segregation approximation, 328, 374
weakly correlated systems, 408
wetting, 598, 606
- asymmetric, 234, 241
- symmetric, 233, 241
Wigner-Zeitz cell, 364
Winsor I, 16, 20
Winsor II, 18, 20
Winsor III, 17

X

X-ray,
- diffraction, 41
- coherent scattering, 103
- small angle scattering (SAXS), 101, 131, 142, 143, 162, 165, 179, 251
- ex-situ, 217
- grazing incidence (GISAXS), 189,

Z

Zeeman contributions, 117, 235, 245
zeolites, 5, 39
zwitterionic, 37