Preface |
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vii | |
Acknowledgments |
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xiii | |
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1 | (42) |
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1 | (5) |
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1.1.1 Computer modeling and its general solution procedure |
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1 | (3) |
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1.1.2 Computer modeling, theory and experiment |
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4 | (1) |
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1.1.3 Verification and validation |
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5 | (1) |
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6 | (8) |
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1.2.1 Eulerian and Lagrangian descriptions |
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7 | (1) |
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1.2.2 Control volume, surface and velocity divergence |
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8 | (2) |
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1.2.3 Navier-Stokes equations in Lagrangian frame |
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10 | (4) |
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14 | (7) |
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16 | (2) |
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18 | (2) |
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1.3.3 Combined Lagrangian and Eulerian grids |
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20 | (1) |
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1.3.4 Limitations of the grid-based methods |
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20 | (1) |
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21 | (8) |
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21 | (2) |
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23 | (3) |
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1.4.3 Particle methods -- a special class of meshfree methods |
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26 | (3) |
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1.5 Solution strategy of particle methods |
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29 | (14) |
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1.5.1 Particle representation |
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30 | (1) |
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1.5.2 Particle approximation |
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31 | (2) |
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33 | (1) |
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34 | (9) |
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43 | (40) |
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44 | (2) |
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2.2 Classic Molecular Dynamics |
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46 | (10) |
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2.2.1 Equations of motion |
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46 | (1) |
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2.2.2 Force potential function |
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47 | (3) |
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50 | (1) |
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2.2.4 Periodic boundary treatment |
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51 | (1) |
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2.2.5 Classic MD simulation implementation |
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52 | (2) |
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2.2.6 MD simulation of Poiseuille flow |
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54 | (2) |
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2.3 Coupling MD with macro scale methods |
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56 | (6) |
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56 | (2) |
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2.3.2 Coupling MD with FEM |
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58 | (1) |
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2.3.3 Coupling MD with FDM |
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59 | (1) |
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2.3.4 Coupling MD with SPH |
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60 | (2) |
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2.4 Molecular dynamics simulation of peptide-CNT interaction |
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62 | (15) |
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2.4.1 General overview of CNTs |
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62 | (2) |
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2.4.2 General overview of proteins and peptides |
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64 | (2) |
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2.4.3 Setup of the MD simulation of peptide-CNT interaction |
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66 | (3) |
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2.4.4 Results and discussions |
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69 | (8) |
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77 | (6) |
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78 | (5) |
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3 Dissipative Particle Dynamics --- Methodology |
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83 | (44) |
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84 | (3) |
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3.2 Basic concepts of dissipative particle dynamics |
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87 | (9) |
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87 | (1) |
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3.2.2 Governing equations |
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88 | (3) |
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91 | (1) |
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92 | (1) |
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3.2.5 Determination of coefficients |
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92 | (2) |
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3.2.6 Computational procedure |
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94 | (2) |
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96 | (14) |
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3.3.1 Assessment of dynamic properties |
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96 | (3) |
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3.3.2 Solid boundary treatment |
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99 | (3) |
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3.3.3 Conservative interaction potential |
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102 | (7) |
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3.3.4 Spring-bead chain models |
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109 | (1) |
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3.4 Validation of the DPD method |
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110 | (10) |
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110 | (3) |
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113 | (3) |
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3.4.3 Fully saturated flow through porous media |
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116 | (4) |
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120 | (7) |
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122 | (5) |
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4 Dissipative Particle Dynamics --- Applications |
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127 | (64) |
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127 | (2) |
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129 | (12) |
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4.2.1 Formation of drop with co-existing liquid-vapor |
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131 | (7) |
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4.2.2 Large-amplitude oscillation of a liquid drop |
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138 | (1) |
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4.2.3 Controlled drug delivery |
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139 | (2) |
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4.3 Multiphase flows in pore-scale fracture network and porous media |
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141 | (18) |
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4.3.1 Multiphase flows in micro channel and fractures |
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143 | (9) |
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4.3.2 Multiphase flows in porous media |
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152 | (7) |
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4.4 Movement and suspension of macromolecules in micro channels |
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159 | (19) |
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4.4.1 Straight micro channel |
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163 | (3) |
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4.4.2 Contracted micro channel |
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166 | (1) |
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4.4.3 Inclined micro channel |
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167 | (2) |
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4.4.4 Grooved micro-channel |
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169 | (9) |
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4.5 Movement and deformation of single cells |
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178 | (5) |
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183 | (8) |
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184 | (7) |
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5 Smoothed Particle Hydrodynamics --- Methodology |
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191 | (70) |
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5.1 History and development |
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192 | (4) |
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5.2 Basic concepts of SPH approximation |
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196 | (11) |
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5.2.1 Kernel approximation of a function |
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196 | (2) |
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5.2.2 Kernel approximation of derivatives |
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198 | (3) |
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5.2.3 Particle approximation |
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201 | (2) |
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5.2.4 Techniques for deriving SPH formulations |
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203 | (2) |
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5.2.5 SPH formulations for the Navier-Stokes (N-S) equations |
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205 | (2) |
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5.3 SPH smoothing function |
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207 | (10) |
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5.3.1 Review on commonly used smoothing functions |
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207 | (5) |
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5.3.2 Generalizing constructing conditions |
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212 | (2) |
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5.3.3 Constructing SPH smoothing functions |
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214 | (3) |
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5.4 Numerical aspects of SPH |
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217 | (7) |
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5.4.1 Artificial viscosity |
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217 | (2) |
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219 | (1) |
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220 | (1) |
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5.4.4 Symmetrization of particle interaction |
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221 | (1) |
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5.4.5 Tensile instability |
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222 | (2) |
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5.5 Consistency of the SPH method |
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224 | (28) |
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5.5.1 Consistency in kernel approximation (kernel consistency) |
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224 | (2) |
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5.5.2 Consistency in particle approximation (particle consistency) |
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226 | (2) |
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5.5.3 Review on approaches for restoring consistency |
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228 | (3) |
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5.5.4 A general approach to restore particle consistency |
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231 | (2) |
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5.5.5 Finite particle method |
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233 | (6) |
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5.5.6 A comparative study of particle consistency |
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239 | (12) |
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5.5.7 Consistency vs. stability |
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251 | (1) |
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252 | (9) |
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253 | (8) |
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6 Smoothed Particle Hydrodynamics --- Applications |
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261 | (92) |
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262 | (4) |
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6.1.1 Review on SPH applications |
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262 | (2) |
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6.1.2 Applications to hydrodynamics and ocean engineering |
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264 | (2) |
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266 | (6) |
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6.2.1 Governing equation for viscous incompressible fluid flow |
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266 | (1) |
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6.2.2 Governing equation for moving rigid body |
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267 | (1) |
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6.2.3 SPH equations of motion |
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268 | (1) |
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6.2.4 Density and kernel gradient correction |
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269 | (3) |
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6.3 Modeling incompressible flows in SPH |
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272 | (16) |
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6.3.1 Weakly compressible SPH (WCSPH) model |
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273 | (2) |
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6.3.2 Incompressible SPH (ISPH) algorithm |
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275 | (3) |
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6.3.3 Comparisons of WCSPH and ISPH |
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278 | (10) |
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288 | (10) |
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6.4.1 Dam breaking against a vertical wall |
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289 | (5) |
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6.4.2 Dam breaking against a sharp-edged obstacle |
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294 | (1) |
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6.4.3 The movement of an elliptical cylinder near free surface |
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294 | (4) |
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298 | (14) |
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6.5.1 Liquid sloshing under horizontal excitation |
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300 | (2) |
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6.5.2 Liquid sloshing with a middle baffle |
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302 | (2) |
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6.5.3 Liquid sloshing due to the pitch motion of a rectangular tank |
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304 | (4) |
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308 | (4) |
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312 | (10) |
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6.6.1 Water exit of a cylinder |
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312 | (3) |
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6.6.2 Sinking of a submerged cylinder |
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315 | (2) |
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6.6.3 Free falling of a cylinder |
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317 | (2) |
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319 | (3) |
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6.7 Oil spill and boom movement |
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322 | (6) |
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6.7.1 Effects of oil type |
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325 | (1) |
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6.7.2 Effects of boom velocity |
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326 | (1) |
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6.7.3 Effects of skirt angle |
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326 | (1) |
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327 | (1) |
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328 | (7) |
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6.8.1 Head-on collision of two rubber rings |
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329 | (2) |
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6.8.2 Dam break with an elastic gate |
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331 | (2) |
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6.8.3 Water impact onto a forefront elastic plate |
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333 | (2) |
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335 | (18) |
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337 | (16) |
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7 Three Typical Particle Methods |
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353 | (20) |
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7.1 Particle-in-cell method |
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354 | (3) |
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7.1.1 History and development |
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354 | (1) |
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354 | (2) |
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7.1.3 Implementation procedure |
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356 | (1) |
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7.1.4 Comparison of SPH and PIC |
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357 | (1) |
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7.2 Material point method |
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357 | (6) |
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7.2.1 History and development |
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357 | (1) |
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358 | (3) |
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7.2.3 Implementation procedure |
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361 | (1) |
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7.2.4 Comparison of SPH and MPM |
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362 | (1) |
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7.3 Moving-particle semi-implicit method |
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363 | (6) |
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7.3.1 History and development |
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363 | (1) |
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364 | (3) |
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7.3.3 Implementation procedure |
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367 | (1) |
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7.3.4 Comparison of SPH and MPS |
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368 | (1) |
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369 | (4) |
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370 | (3) |
Index |
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373 | |