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Povzetek

Opis
English: Diffusion from a microscopic and macroscopic point of view. Initially, there are solute molecules on the left side of a barrier (magenta line) and none on the right. The barrier is removed, and the solute diffuses to fill the whole container. Top: A single molecule moves around randomly. Middle: With more molecules, there is a clear trend where the solute fills the container more and more evenly. Bottom: With an enormous number of solute molecules, the randomness is gone: The solute appears to move smoothly and systematically from high-concentration areas to low-concentration areas, following Fick's laws. Image is made in Mathematica, source code below.
Datum
Vir lastno delo
Avtor Sbyrnes321

Licenca

Public domain Jaz, imetnik avtorskih pravic na tem delu, izročam to delo v javno domeno. To velja po vsem svetu.
V nekaterih državah to pravno morda ni mogoče. Če je tako,
Vsakomur dajem (v okviru zakonskih omejitev) brezpogojno pravico, da gradivo uporablja v kateri koli namen.

<< Mathematica source code >>

(* Source code written in Mathematica 6.0, by Steve Byrnes, 2010.
I release this code into the public domain. Sorry it's messy...email me any questions. *)

(*Particle simulation*)
SeedRandom[1];
NumParticles = 70;
xMax = 0.7;
yMax = 0.2;
xStartMax = 0.5;
StepDist = 0.04;
InitParticleCoordinates = Table[{RandomReal[{0, xStartMax}], RandomReal[{0, yMax}]}, {i, 1, NumParticles}];
StayInBoxX[x_] := If[x < 0, -x, If[x > xMax, 2 xMax - x, x]];
StayInBoxY[y_] := If[y < 0, -y, If[y > yMax, 2 yMax - y, y]];
StayInBoxXY[xy_] := {StayInBoxX[xy[[1]]], StayInBoxY[xy[[2]]]};
StayInBarX[x_] := If[x < 0, -x, If[x > xStartMax, 2 xStartMax - x, x]];
StayInBarY[y_] := If[y < 0, -y, If[y > yMax, 2 yMax - y, y]];
StayInBarXY[xy_] := {StayInBarX[xy[[1]]], StayInBarY[xy[[2]]]};
MoveAStep[xy_] := StayInBoxXY[xy + {RandomReal[{-StepDist, StepDist}], RandomReal[{-StepDist, StepDist}]}];
MoveAStepBar[xy_] := StayInBarXY[xy + {RandomReal[{-StepDist, StepDist}], RandomReal[{-StepDist, StepDist}]}];
NextParticleCoordinates[ParticleCoords_] := MoveAStep /@ ParticleCoords;
NextParticleCoordinatesBar[ParticleCoords_] := MoveAStepBar /@ ParticleCoords;
NumFramesBarrier = 10;
NumFramesNoBarrier = 50;
NumFrames = NumFramesBarrier + NumFramesNoBarrier;
ParticleCoordinatesTable = Table[0, {i, 1, NumFrames}];
ParticleCoordinatesTable[[1]] = InitParticleCoordinates;
For[i = 2, i <= NumFrames, i++,
  If[i <= NumFramesBarrier,
   ParticleCoordinatesTable[[i]] = NextParticleCoordinatesBar[ParticleCoordinatesTable[[i - 1]]], 
   ParticleCoordinatesTable[[i]] = NextParticleCoordinates[ParticleCoordinatesTable[[i - 1]]]];];

(*Plot full particle simulation*)
makeplotbar[ParticleCoord_] := 
  ListPlot[{ParticleCoord, {{xStartMax, 0}, {xStartMax, yMax}}}, Frame -> True, Axes -> False,
   PlotRange -> {{0, xMax}, {0, yMax}}, Joined -> {False, True}, PlotStyle -> {PointSize[.03], Thick},
   AspectRatio -> yMax/xMax, FrameTicks -> None];

makeplot[ParticleCoord_] := 
 ListPlot[ParticleCoord, Frame -> True, Axes -> False, PlotRange -> {{0, xMax}, {0, yMax}}, Joined -> False, 
  PlotStyle -> PointSize[.03], AspectRatio -> yMax/xMax, FrameTicks -> None]

ParticlesPlots = 
  Join[Table[makeplotbar[ParticleCoordinatesTable[[i]]], {i, 1, NumFramesBarrier}], 
   Table[makeplot[ParticleCoordinatesTable[[i]]], {i, NumFramesBarrier + 1, NumFrames}]];

(*Plot just the first particle in the list...Actually the fifth particle looks better. *) 
FirstParticleTable = {#[[5]]} & /@ ParticleCoordinatesTable;

FirstParticlePlots = 
  Join[Table[makeplotbar[FirstParticleTable[[i]]], {i, 1, NumFramesBarrier}], 
   Table[makeplot[FirstParticleTable[[i]]], {i, NumFramesBarrier + 1, NumFrames}]];


(* Continuum solution *)

(* I can use the simple diffusion-on-an-infinite-line formula, as long as I correctly periodically replicate the
initial condition. Actually just computed nearest five replicas in each direction, that was a fine approximation. *)

(* k = diffusion coefficient, visually matched to simulation. *)
k = .0007; 
u[x_, t_] := If[t == 0, If[x <= xStartMax, 1, 0], 1/2 Sum[
     Erf[(x - (-xStartMax + 2 n xMax))/Sqrt[4 k t]] - Erf[(x - (xStartMax + 2 n xMax))/Sqrt[4 k t]], {n, -5, 5}]];

ContinuumPlots = Join[
   Table[Show[
     DensityPlot[1 - u[x, 0], {x, 0, xMax}, {y, 0, yMax}, 
      ColorFunctionScaling -> False, AspectRatio -> yMax/xMax, 
      FrameTicks -> None],
     ListPlot[{{xStartMax, 0}, {xStartMax, yMax}}, Joined -> True, 
      PlotStyle -> {Thick, Purple}]],
    {i, 1, NumFramesBarrier}],
   Table[
    DensityPlot[1 - u[x, tt], {x, 0, xMax}, {y, 0, yMax}, 
     ColorFunctionScaling -> False, AspectRatio -> yMax/xMax, 
     FrameTicks -> None],
    {tt, 1, NumFramesNoBarrier}]];

(*Combine and export *)

TogetherPlots = 
  Table[GraphicsGrid[{{FirstParticlePlots[[i]]}, {ParticlesPlots[[i]]}, {ContinuumPlots[[i]]}},
   Spacings -> Scaled[0.2]], {i, 1, NumFrames}];

Export["test.gif", Join[TogetherPlots, Table[Graphics[], {i, 1, 5}]], 
 "DisplayDurations" -> {10}, "AnimationRepititions" -> Infinity ]

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motiv

16. januar 2010

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Datum in časSličicaVelikostUporabnikKomentar
trenutno14:41, 7. marec 2012Sličica za različico z datumom 14:41, 7. marec 2012360 × 300 (402 KB)wikimediacommons>Dratini0Just removed the white last fram for aesthetic purposes, and prologed the display time of the last frame to mark the reatart of the animation.

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