MUFFIN - MUltiFarious FIeld simulator for Non-equilibrium system - ( )
MUFFIN WG3 - - JCII, - ( ) - ( ) - ( ) - (JSR) - -
MUFFIN sec -3 msec -6 sec GOURMET SUSHI MUFFIN -9 nsec PASTA -1 psec -15 fsec COGNAC -15-1 -9-6 -3 fm pm nm m mm m
MUFFIN - - - -
MUFFIN - (FDM) : - (FEM) :. - - (D/3D). ( D/3D) or - : -,,,,. - : Navier-Stokes, Stokes, Oseen,,.. - :,. - :, -,. - - -.
MUFFIN SuperField. ( ) - DynamicsManager. - MUFFIN SuperField B.C. Dynamics Manager UDF(XML) MUFFIN API ( ) - MUFFIN -
MUFFIN - - cf) XSIL (XML Scientific Interchange) Prof. R.Williams, CACR, Caltech. (Center for Advanced Computing Research)
MUFFIN ( ) PhaseSeparation Electrolyte MEMFluid Elastica GelDyna TURBAN shear PhaseSeparation : GelDyna : TURBAN : Elastica : Electrolyte MEMFluid :
PhaseSeparation : ψ t v ρ t v α = = = ( ψ p α + v ) + ( L α µ α [ { v + ( v) }] t η ) + K, Stokes flow / t =, K. L
=
PhaseSeparation FDM t=1 t=4 t= Flory-Huggins t= t= t=1
PhaseSeparation FDM
( PhaseSeparation FDM ) Macromolecules, 9, 33 (1996) Macromolecules, 3, 4995 (1997) Macromolecules, 3, 4995 (1997) Macromolecules, 9, 33 (1996) Polymer, 4, 111 (1)
J. Electrochem. Soc., 138, 317 (1991) E ( x 1 x ) = κ 1 κ x 1 x 1
(csolv-poly) - Poly1 / Poly / solvent (Poly1 ) - PMMA / PS / MEK (PMMA ) (gs ) - Poly1 / Poly /substrate (better for Poly) - PMMA / PS / ODM (better for PS) (E ) - (h ) -
Electrolyte 3 FDM FEM Electrolyte
Electrolyte FDM t=1 t=1 t=1 t=1 ( )
Electrolyte FEM
Electrolyte FEM : ( ) E E E E
MEMFluid Cα : Cα ( ) = ( vcα ) jα + R1αβ Cβ + Rαβγ CβC t : jα = Lα [ kbt{ Cα + χαβcα Cβ } + ezαcα ( Φ E)] Oseen ( Laplace : [ { v ( v) }] t ) = p + η w + + K } : K = k B T{ Cα + χ αβcα Cβ } α β : Φ = β β β, γ ( v = ) ( ) : j α : L α : Z α : χ αβ : Φ : E : MEMS (Micro Electro Mechanical System), Lab-on-a chip. Micro reactor, TAS (Total Analysis System), Bio chips. γ
MEMFluid Y A C 4sec 6sec 8sec 1sec 16cases: Productivity (Pc) of C-ion P=1.,.5,5.,1. vs logr and log P R=1e-3,1e-,1e-1,1. Results: For increase Pc. R >.4: P->1. R <.4: P->1.
MEMFluid : ε veo = ςe Helmholtz-Smouluchowski eq. ηw -potential : -1 Poisson-Boltzmann eq. (1-1 electrolyte) ς = k T σ ln[ (8Cεk T ) σ ( 8Cεk B 1 / + + 1) 1 / Ze B BT - ( ) Ze ς / kbt << 1 ς 5( mv ) { σ ς = εκ ZαCα e α 1 / κ = ( ) εk T B : / : l b l = e ( k B 1 Tεl) 3 1 ] : P=1., R=1.
Elastica, 3 FEM F d { u ( x) } = d x{ f } i V f V d 1 = G x ) e δ e + ij ij ll d d xρ( x) g u ( x) i K( x) i ( e ) ( ll e ij = 1 ui x j u + x St d d 1 xt i u i ( x) ( e ) ( ) ii + D nin jeij + D 3(ell nin jeij ) + D4nleil nkeik D eijeij f = D1 + 5 j j
+ + = xy zx yz zz yy xx xy zx yz zz yy xx e e e e e e m m k m k l m k m k l l l n µ µ σ σ σ σ σ σ ( ) ( ) ij ij ik k il l ij j i ll ij j i ii e D e e n D n e ) e n n D (e e n n D e D f 5 4 3 1 + + + + = ( ) ( ) = = + = + = = m D m D m k l D l m k n D m k D 5 4 3 1 µ µ
Elastica : SUSHI : 1( ) z, x,y x,y, z :
Elastica :.µm 1.µm
Elastica : Morphology (PP + Elastomer) F = G e ij 1 δ ije d ll + K 1 e kk (a)dispersed (b)bi-continuous (C) by SUSHI Young K = e ij 1 δ ije d 1 e kk ll G + F 1 e kk modulus E analytic-model sphere 3.753 series bi-continuous 34.67 Davies sushi1 91.84 sushi 5.99 sushi: volume fraction is reset to and 1 using a threshold value.
GelDyna : ς ( v p v s ) = φ p + : ς ( v s v p ) = ( 1 φ ) : [ φ v + ( 1 φ ) v ] = p s p σ ( ) v p : v s : φ : p : ς : σ : k BT d 1 φ = d x[(1 φ ) ln( 1 φ ) + χφ (1 φ ) + ν ( tr v φ F W + φ σ ij = [ φ f m ' ( φ ) f m ( φ )] δ ij + ν ( W ij δ ij ) φ (Flory-Huggins): ( φ ) = (1 φ ) ln( 1 φ ) + χφ (1 φ ) W ij : φ : χ : : ν f m ln 1 φ φ )]
GelDyna (DDS) NIPA D 3D
TURBAN =TURBidity ANalyzer TURBAN TURBAN : (i) (ii) Maxwell
: - 18 3 - = 4-7nm - -PE : TURBAN PE
MUFFIN MILK ( ) - 3D/D - - NASTRAN BULK FILTER - NASTRAN BULK UDF. HyperMesh UDF GOURMET MeshFieldConvertor (IMPORT/EXPORT_...) -SUSHI
udfavs MUFFIN MeshFieldShow (SHOW_...) - - MeshFieldPlot (PLOT_...) - UDF AVS - - - (gnuplot ). - - - ModelingSupporter, analyze_reactor,
MUFFIN : SUSHI MUFFIN PASTA COGNAC
MUFFIN (MUltiFarious FIeld simulator for Non-equilibrium system) (.1 m 1mm, sec) PhaseSeparation, Electrolyte, MEMFluid, Elastica, GelDyna, TURBAN MUFFIN MUFFIN