Równanie dyfuzji (1d)

Równanie dyfuzji w jednym wymiarze przyjmuje następującą postać:

$$ \frac{\partial u}{\partial t}= D \frac{\partial^2u}{\partial x^2}$$

 

Aby określić funkcje $u(x,t)$ musimy znać stan początkowy i warunku brzegowe.

$$ u(x=a,t=0)=u_a \textbf{ oraz } u(x=b,t=0)=u_b$$  

lub

$$ u'(x=a,t=0)=J_a \textbf{ oraz } u'(x=b,t=0)=J_b$$


In [157]:



Out[157]:

Dyskretny operator Laplace'a

Zaczynamy od dyskretnej postaci operatora Laplace'a:

Można przestawić go jako złożenie dwóch operatorów różnic skończonych, najlepiej w przód i w tył, tak by efekt był symetryczny.


In [2]:
N=7
B=-identity_matrix(N)
for i in range(1,B.ncols()):
    B[i-1,i]=1
A=identity_matrix(N)
for i in range(1,A.ncols()):
    A[i,i-1]=-1
table([[B,A,"=",B*A]])


Out[2]:
=

In [4]:
f = vector( [var('f%d'%i) for i in range(N)])

table([[B,f.column(),(B*f).column()]])


Out[4]:

In [6]:
table([[A,f.column(),(A*f).column()]],frame=False)


Out[6]:

In [11]:
table([[A*B,f.column(),(A*B*f).column()]])


Out[11]:

In [274]:



Out[274]:

Można też wykonać bezpośrednią konstrukcję korzystając z przybliżenia drugiej pochodnej:

$$ \displaystyle \frac{f(x_{i+1})-2 f(x_i)+f(x_{i-1}) }{h^2}\simeq  \frac{\partial^2f(x)}{\partial x^2}(x_i)$$

Możemy napisać:

$$\nabla^2 f(x) = \frac{1}{h^2} L \mathbf{f},  $$

gdzie:

$$ L = \left(\begin{array}{rrrr} -2.0 & 1.0 & 0.0 & 0.0 \\ 1.0 & -2.0 & 1.0 & 0.0 \\ 0.0 & 1.0 & -2.0 & 1.0 \\ 0.0 & 0.0 & 1.0 & -2.0 \end{array}\right)$$

a $\mathbf{f}$ jest wektorem wartości funkcji wypróbkowanym na dziedzinie.

 

 


In [12]:
N=7
L = matrix(RDF,N)
for i in range(1,N-1):
    L[i,i-1],L[i,i],L[i,i+1] = 1,-2, 1
L[0,0],L[0,1],L[0,-1] = -2, 1, 1
L[-1,-1],L[-1,-2],L[-1,0] = -2, 1, 1    
show(L[:10,:10])


Można też skorzystać z definicji i obliczyć przybliżenie pochodnej stosując technikę "array slicing". Na przykład używając wydajnych numerycznie tablic numpy mamy:


In [14]:
import numpy as np
u = np.random.randint(5,size=10)*1.0
a = np.zeros_like(u)
b = np.zeros_like(u)
c = np.zeros_like(u)
d = np.zeros_like(u)
a[1:-1]=u[2:]-2.0*u[1:-1]+u[:-2]
b[1:-1]=u[2:]
c[1:-1]=-2.0*u[1:-1]
d[1:-1]=u[:-2]
table([[u],[d],[b],[c],'=',[a]])


Out[14]:
=

Dalej, będziemy dla wygody stosować skonczony operator liniowy $L$.  Zobaczny jak działa taki operator na dolowlną funkcję wypróbkowaną na równoodległych punktach


In [16]:
f = vector( [var('f%d'%i) for i in range(N)])
table([[L,'$\cdot$',f.column() ,'$=$',  (L*f).column() ]])


Out[16]:

In [176]:
#print  latex(L), latex(f.column()), latex((L*f).column() )
#var('dt,D')
#f = vector( [var('u_i%d'%i) for i in range(N)])
#print latex(identity_matrix(N)),latex(dt*D), latex(L), latex(f.column()), latex((L*f).column() )


Out[176]:


In [178]:



Out[178]:

Numeryczne rozwiązywanie jednowymiarowego równania dyfuzji

Równanie dyfuzji możemy zdyskretyzować w dziedzinie czasowej stosując  jawny lub niejawny schemat Eulera i zastępując Laplace'an jego dyskretnym odpowiednikiem:

$$u^{i+1}  = u^i + \left[ \frac{D dt}{h^2} \right] Lu^i.$$

Schemat, jak i jego zbieżność zależą od jednej stałej $\frac{D dt}{h^2}$, zwanej też liczbą Couranta, w której tkwią zarówno wielkości fizyczne jak i dyskretyzacja układu. Dalej, zapisując układ iteracji jako:

$$u^{i+1}  = \left( I + L\frac{D dt}{h^2}  \right) u^i,$$

widzimy, że rozwiązanie jest potęgami $L_t^1,L_t^2,L_t^3,\dots,L_t^n$ operatora

$$L_t= I +  \frac{D dt}{h^2}  L.$$

Schemat niejawny zawiera wartość $u$ w  chwili $i+1$ po prawej stronie:

$$u^{i+1}  = u^i + \left[ \frac{D dt}{h^2} \right] Lu^{i+1},$$

co przepisując szukaną $u_{i+1}$ na prawą stronę daje nam niejednorodny układ rówń liniowych:

$$ \left( I - \frac{D dt}{h^2} L \right) u^{i+1}= u^{i}.$$

W przypadku małego $dt$ schematy te są równoważne. Korzystając z twierdzenia o macierzowym szeregu geometrycznym, lub rozwinięcia  w szereg Taylora funkcji  macierzowej (link) mamy:

$$ \left({I -\epsilon A}\right)^{-1} = I+\epsilon A+ \epsilon^2 A^2 \dots $$

Widzimy, że formalnie rozwiązując układ równań liniowych ze schematu niejawnego, biorąc wyrazy liniowe w $dt$ dostajemy schemat jawny.

 

 


In [17]:
u = vector(RDF,[0,0,0,1,0,0,0])
print u
print L*u


(0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0)
(0.0, 0.0, 1.0, -2.0, 1.0, 0.0, 0.0)

In [228]:



Out[228]:

Warunki brzegowe.

Dyskretny operator Laplace'a w 1d potrzebuje wartości funkcji z dwóch węzłów sąsiadujących z węzłem w którym obliczamy wartosc laplasjanu. Jeśli punkt ten znajduje się na brzegu obszaru to brakuje informacji by obliczyć poprawny operator. Informację tą trzeba dostarczyc w postaci warunku brzegowego by problem miał jednoznaczne rozwiązanie. Przykładem warunku brzegowego może być:

  1. Warunek Dirichleta: $u(0)=u_0$. Np. wartość koncentracji na brzegu. Jeśli wartość ta jest zero to taka sytuacja jest zwana warunkiem pochłaniającym.
  2. Warunek von Neumanna: $J(0) =( \partial_x u)(0)=J_0$. Np. wielkość strumienia na brzegu. Jeśli dla równania adwekcji-dyfuzji strumień przez ściankę wynosi zero to warunek jest nazywany odbijającym. 
  3. Okresowy warunek brzegowy: efektywne pozbycie się brzegu przez wprowadzenie innej topologii. Każdy węzeł ma identyczną wartość jak węzeł po drugiej stronie układu, którym jest najczęściej kostka n-wymiarowa. W przypadku odcinka, warunek efektywnie rozwiązuje badanie równanie na okręgu. 

In [183]:



Out[183]:

Warunki Dirichleta

Załóżmy, że nakładamy warunek Dirichleta na końcach przedziału: $u_0=1$ i $u_{N-1}=2$. Oznacza to, że w ewolucji czasonej wektora $u$, wartości na brzegu będą zawsze utrzymywane "zewnetrznie" na zadanych wartościach. Biorąc jawny schemat mamy:

$$

\left(\begin{array}{r}\mathbf{u_0^{i+1}}\\u_1^{i+1}\\u_2^{i+1}\\u_3^{i+1}\\\mathbf{u_4^{i+1}}\end{array}\right) =

\underbrace{

\left[    \left(\begin{array}{rrrrr}\mathbf{ 1 }& 0 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 & 0 \\ 0 & 0 & 1 & 0 & 0 \\ 0 & 0 & 0 & 1 & 0 \\ 0 & 0 & 0 & 0 & 1 \end{array}\right) +\frac{dt  D}{h^2}  \left(\begin{array}{rrrrr} -2.0 & 1.0 & 0.0 & 0.0 & 0.0 \\ 1.0 & -2.0 & 1.0 & 0.0 & 0.0 \\ 0.0 & 1.0 & -2.0 & 1.0 & 0.0 \\ 0.0 & 0.0 & 1.0 & -2.0 & 1.0 \\ 0.0 & 0.0 & 0.0 & 1.0 & -2.0 \end{array}\right)\right]

}_{L_t}

\left(\begin{array}{r}\mathbf{u_0^i}\\u_1^i\\u_2^i\\u_3^i\\\mathbf{u_4^i}\end{array}\right) 

 $$

 

otrzymamy po każdym kroku wartości $u_0^{i+1}$ i $u_4^{i+1}$, które nie będą spełniały dokładnie warunku brzegowego. Należy wieć po każdym kroku wymusić wartości:

$$

u_0^{i+1}=1 \quad u_4^{i+1}=2

$$ 

Zauważmy, że wtedy w kolejnym kroku wartościami krańcowymi wektora $u$ będą wielkości zgodne z warunkami i będą dawały poprawny przyczynek do swoich sąsiadów.

Warunki Dirichleta, są zwane "istotnymi warunkami brzegowymi" (essential boundary conditions). Nie da się tak zmodyfikować dyskretnego operatora $L$ by automatycznie spełniał te warunki i muszą być dołączone dodatkowo w schemacie numerycznym.

 

 

 


In [18]:
# Dirichlet
def init_L(N=7):

    L = matrix(RDF,N)
    for i in range(1,N-1):
        L[i,i-1],L[i,i],L[i,i+1] = 1,-2, 1
    L[0,0],L[-1,-1] = 1, 1
    return L
    
def essential_boundary_conditions(u):
    u[0] = 1.2
    u[-1] = 2.1

L = init_L(7)

show(L[:10,:10])


Okresowy warunek brzegowy

Okresowy warunek brzegowy w przypadku jednowymiarowym polega na utożsamieniu $u_0=u_{N}$. Obszar na którym rozwiązywane jest równanie jest topologicznie równoważny okręgowi. Okrąg nie posiada brzegu więc problem jest dobrze określony - nie ma gdzie zadawać warunku brzegowego. 

Warunek ten można zaimplementowac modyfikująć dyskretny operator Laplace'a $L$ tak by:

$L_{0,N-1}=1$ i $L_{N-1,0}=1$. Niech $N=5$, mamy:

$$ \left(\begin{array}{rrrrr} -2.0 & 1.0 & 0.0 & 0.0 & 1.0 \\ 1.0 & -2.0 & 1.0 & 0.0 & 0.0 \\ 0.0 & 1.0 & -2.0 & 1.0 & 0.0 \\ 0.0 & 0.0 & 1.0 & -2.0 & 1.0 \\ 1.0 & 0.0 & 0.0 & 1.0 & -2.0 \end{array}\right) \left(\begin{array}{r} f_{0} \\ f_{1} \\ f_{2} \\ f_{3} \\ f_{4} \end{array}\right) \left(\begin{array}{r} -2.0 \, f_{0} + f_{1} + f_{4} \\ f_{0} - 2.0 \, f_{1} + f_{2} \\ f_{1} - 2.0 \, f_{2} + f_{3} \\ f_{2} - 2.0 \, f_{3} + f_{4} \\ f_{0} + f_{3} - 2.0 \, f_{4} \end{array}\right) $$

Widać, że taki operator oblicza poprawnie Laplacjan dla punktów skrajcym, biarąc za brakujące punkty $u_{-1}$ i  $u_5$, odpowiednio: $u_{4}$ oraz  $u_0$.

 


In [19]:
# PBC
def init_L_pbc(N=7):
    L = matrix(RDF,N)
    for i in range(1,N-1):
        L[i,i-1],L[i,i],L[i,i+1] = 1,-2, 1
    L[0,0],L[0,1],L[0,-1] = -2, 1, 1
    L[-1,-1],L[-1,-2],L[-1,0] = -2, 1, 1    
    return L    
def essential_boundary_conditions(u):
    pass

L  = init_L_pbc(7)
show(L[:10,:10])



In [225]:
L.rank()


Out[225]:
7

In [231]:



Out[231]:

Warunek von Neumanna

W przypadku ogólnym, rozważmy  równania dające się zapisać w postaci prawa zachowania:

$$\frac{\partial u}{\partial t} = -  \nabla \cdot \vec J,$$

gdzie $J$ to strumień pola $u$. Równanie dyfuzji można przedstawić z tej postaci przy założeniu że:

$$\vec J = - \vec\nabla u$$

Jeśli równanie zawiera człon adwekcyjny (tzn proporcjonalny do pierwszej pochodnej) to strumień będzie zawierał dodatkowe człony.

Widać, że przypadku jednowymiarowego równania dyfizji warunek von Neumanna jest efektywnie  warunkiem na pochodną funkcji na brzegu:

$$\frac{u_1-u_0}{h}=-J$$

Przypadkiem szczególnym warunku Neumanna jest bariera odbijająca, w której zakładamy że strumień cząstek opisywanych gęstością lub stężeniem $u$ przez barierę wynosi zero. W takim przypadku można napisać operator Laplace'a, który będzie konsystentny z tym warunkiem:

$$

\left(\begin{array}{rrrrr} -1.0 & 1.0 & 0.0 & 0.0 & 0.0 \\ 1.0 & -2.0 & 1.0 & 0.0 & 0.0 \\ 0.0 & 1.0 & -2.0 & 1.0 & 0.0 \\ 0.0 & 0.0 & 1.0 & -2.0 & 1.0 \\ 0.0 & 0.0 & 0.0 & 1.0 & -1.0 \end{array}\right) \left(\begin{array}{r} f_{0} \\ f_{1} \\ f_{2} \\ f_{3} \\ f_{4} \end{array}\right)

= \left(\begin{array}{r} -f_{0} + f_{1} \\ f_{0} - 2.0 \, f_{1} + f_{2} \\ f_{1} - 2.0 \, f_{2} + f_{3} \\ f_{2} - 2.0 \, f_{3} + f_{4} \\ f_{3} - f_{4} \end{array}\right) $$

Widać, że taki operator, zamiast drugiej pochodnej w punktach skrajnych oblicza pierwszą pochodną. Intuicyjnie,  działanie operatora ewolucji  na dowolny wektor będzie poprawiało wartość w pierwszym i ostatnim węźle tak długo aż pierwsze pochodne będą zero. 

Warto odnotować, że taki operator ma rząd o jednej mniejszy od wymiaru. Wynika z tego, że rozwiązanie zerowe spełnia takie równanie. Rzeczywiście: równanie dyfuzji na obszarze z odbijającymi scianami jest spełnione jeśli w układzie nie ma cząstek! Ponadto widać, że jesli rozwiązanie jest określone co do wartości stałej multyplikatywnej.

 


In [20]:
# von Neumann/reflecting BC
def init_L_ref(N=7):
    L = matrix(RDF,N)
    for i in range(1,N-1):
        L[i,i-1],L[i,i],L[i,i+1] = 1,-2, 1
    L[0,0],L[0,1] = -1, 1
    L[-1,-1],L[-1,-2] = -1, 1
    return L
    
def essential_boundary_conditions(u):
    pass

L = init_L_ref(7)

show(L[:10,:10])



In [226]:
L.rank()


Out[226]:
6

In [168]:



Out[168]:


In [21]:
Lt=identity_matrix(N)+0.40*L
eig = list(Lt.eigenvalues())
eig_s = sorted(map(lambda x:x.n(digits=3),map(real,eig)))
show(eig_s)


Stabilność i własności operatora $L_t$

 

Sprawdźmy wartości własne operatora $L_t=I+\frac{D dt}{h^2}L$, dla różnych wartości stałej $C=\frac{D dt}{h^2}$. Zacznijmy od małej wartości np: $C=0.2$. Dla $N=5$ i operatora z okresowymi warunkami brzegowymi otrzymujemy:

$$\left[0.240, 0.240, 0.511, 0.511, 0.849, 0.849, 1.00\right].$$

Widać, że wartości własne są rzeczywiste, dodatnie, mniejsze od jednego z wyjątkiem jednej. Ewolucja czasowa układu jest dana przez potęgi operatora $L_t$: $$L_t^1,L_t^2,L_t^3,\dots,L_t^n.$$ Oznacza to, że kolejne iteracje będą wygaszać składowe wektora wzdłuż wszystkich wektorów własnych, z wyjątkiem tego należącego do wartości jeden, która to będzie stanem stacjonarnym.

Niech $C=0.4$, otrzymujemy wtedy:

$$\left[-0.521, -0.521, 0.0220, 0.0220, 0.699, 0.699, 1.00\right]$$

 Pojawiają  się ujemne wartości własnych, co oznacza oscylacje pomiędzy dodatnimi i ujemnymi wartościami np. stężenia w czasie. Nie jest to efekt fizyczny i jawny algorytm Eulera dla równaia dyfuzji dla $C=0.4$ jest robieżny.

Warto odnotować, że stała od której zależy stabilnośc zawiera w liczniku  krok czasowu a w mianowniku kwadrat kroku przestrzennego. Oznacza to, że zmniejszając dyskretyzacje przestrzeni musimy jednocześnie używać mniejszego kroku czasowego, by schemat był stabilny.   


In [22]:
N=7
L = matrix(RDF,N)
for i in range(1,N-1):
    L[i,i-1],L[i,i],L[i,i+1] = 1,-2, 1
L[0,0],L[0,1],L[0,-1] = -2, 1, 1
L[-1,-1],L[-1,-2],L[-1,0] = -2, 1, 1    

@interact
def _(C=slider(0.01,1.0,0.01)):
    
    Lt=matrix(RDF,identity_matrix(N)+C*L)
    eig = list(Lt.eigenvalues())
    l = sorted(map(lambda x:x.n(digits=3),map(real,eig)))
    
    print l[0:6],"...",l[-1]


---------------------------------------------------------------------------
NameError                                 Traceback (most recent call last)
<ipython-input-22-04c4efacddc5> in <module>()
      7 
      8 @interact
----> 9 def _(C=slider(RealNumber('0.01'),RealNumber('1.0'),RealNumber('0.01'))):
     10 
     11     Lt=matrix(RDF,identity_matrix(N)+C*L)

NameError: name 'slider' is not defined

In [182]:



Out[182]:

Mając juz wszystkie składniki można napisać algorytm który będzie rozwiązywał numerycznie równanie dyfuzji przy zadanych warunkach brzegowych i początkowych.


In [181]:



Out[181]:


In [180]:
L.ncols(),L.rank()


Out[180]:
(7, 7)

In [232]:



Out[232]:


In [162]:
L = init_L_ref(45)
def essential_boundary_conditions(u):
    pass
    
Tlst=[]

Lt=matrix(RDF,identity_matrix(L.ncols())+0.2*L)
u = zero_vector(RDF,L.ncols())
u[ int(L.ncols()/2) ] = 1.0

essential_boundary_conditions(u)

for i in range(150):
    Tlst.append(u)
    u = Lt*u # schemat jawny
    essential_boundary_conditions(u)
@interact
def _(ti=slider(range(len(Tlst)))):
    p =  list_plot(Tlst[ti],plotjoined=True)
    p += list_plot(Tlst[-1],plotjoined=True,color='gray',ymin=-0.2,ymax=1.0)
    p += list_plot(Tlst[0],plotjoined=True,color='gray')
    p.show(figsize=(9,3))


Out[162]:
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                 cellpadding=15><tr><td bgcolor="#f9f9f9" valign=top align=left><table>
<tr><td colspan=3><table><tr><td align=right><font color="black">ti </font></td><td><table><tr><td>
        <div id="slider-ti-162" style="margin:0px; margin-left: 1.0em; margin-right: 1.0em; width: 15.0em;"></div>
        </td><td><font color="black" id="slider-ti-162-lbl"></font></td></tr></table><script>(function(){ var values = ["0","1","2","3","4","5","6","7","8","9","10","11","12","13","14","15","16","17","18","19","20","21","22","23","24","25","26","27","28","29","30","31","32","33","34","35","36","37","38","39","40","41","42","43","44","45","46","47","48","49","50","51","52","53","54","55","56","57","58","59","60","61","62","63","64","65","66","67","68","69","70","71","72","73","74","75","76","77","78","79","80","81","82","83","84","85","86","87","88","89","90","91","92","93","94","95","96","97","98","99","100","101","102","103","104","105","106","107","108","109","110","111","112","113","114","115","116","117","118","119","120","121","122","123","124","125","126","127","128","129","130","131","132","133","134","135","136","137","138","139","140","141","142","143","144","145","146","147","148","149"]; setTimeout(function() {
    $('#slider-ti-162').slider({
        step: 1, min: 0, max: 149, value: 0,
        change: function (e,ui) { var position = ui.value; if(values!=null) $('#slider-ti-162-lbl').text(values[position]); interact(162, '_interact_.update(\'162\', \'ti\', 9, _interact_.standard_b64decode(\''+encode64(position)+'\'), globals()); _interact_.recompute(\'162\');'); },
        slide: function(e,ui) { if(values!=null) $('#slider-ti-162-lbl').text(values[ui.value]); }
    });
    if(values != null) $('#slider-ti-162-lbl').text(values[$('#slider-ti-162').slider('value')]);
    }, 1); })();</script></td>
</tr></table></td></tr>
<tr><td></td><td style='width: 100%;'><div id="cell-interact-162"><?__SAGE__START>
        <table border=0 bgcolor="white" width=100%>
        <tr><td bgcolor="white" align=left valign=top><pre><?__SAGE__TEXT></pre></td></tr>
        <tr><td  align=left valign=top><?__SAGE__HTML></td></tr>
        </table><?__SAGE__END></div></td><td></td></tr>
<tr><td colspan=3></td></tr>
</table></td>
                 </tr></table></div>
                 </html>

Warunek unormowania:


In [161]:
[sum(T_) for T_ in Tlst]


Out[161]:
[1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]

Numeryczne rozwiązanie równanie dyfuzji - porównanie z rozwiązaniem dokładnym.

Rozważmy równanie:

$$ \frac{\partial u}{\partial t}= D \frac{\partial^2u}{\partial x^2}$$

na odcinku $(0,l)$ z odbijającymi warunkami brzegowymi. W tym celu stosujemy jawny schemat Eulera. Krok przestrzenny $h$ jest równy:

$$h  = \frac{l^2}{(N-1)^2}.$$

Wobec tego mamy następujący infinitezymalny operator ewolucji

$$L_t= I +  dt\frac{D  (N-1)^2}{l^2}  L u^i,$$

przy czym maksymalny krok czasowy zależy od parametrów układu i jest ograniczony przez:

$$dt_{max}<0.25 \frac{l^2}{(N-1)^2 D}. $$

 


In [259]:
N = 55
Dyf = 1.0
l = 100.
dx = l/(N-1)

dt_max = 0.2*dx^2/Dyf
dt = dt_max/2.0
C = dt*Dyf/dx^2

Nsteps = 1200

print C,dt,dx


Out[259]:
0.100000000000000 0.342935528120713 1.85185185185185

In [276]:
print "Czas dyfuzyjny:",l^2/Dyf/dt


Out[276]:
Czas dyfuzyjny: 29160.0000000000

In [277]:
Nsteps = int(l^2/Dyf/dt)


Out[277]:


In [154]:
L = init_L_ref(N)
def essential_boundary_conditions(u):
    pass
    
Tlst=[]


Lt=matrix(RDF,identity_matrix(L.ncols())+C*L)
u = zero_vector(RDF,L.ncols())
u[ int(L.ncols()/5) ] = 1.0/dx

essential_boundary_conditions(u)

for i in range(Nsteps):
    Tlst.append(u)
    u = Lt*u # schemat jawny
    essential_boundary_conditions(u)
@interact
def _(ti=slider(range(len(Tlst)))):
    p =  list_plot(Tlst[ti],plotjoined=True)
    p += list_plot(Tlst[-1],plotjoined=True,color='gray',ymin=-0.2,ymax=0.5)
    p += list_plot(Tlst[0],plotjoined=True,color='gray')
    p.show(figsize=(9,3))


Out[154]:
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In [261]:



Out[261]:


In [262]:
c(x,t)=1/sqrt(4*pi*Dyf*t)*exp(-(x^2)/(4*Dyf*t) )

print "Unormowanie wzoru analitycznego:",integrate(c(x,0.23),(x,-oo,oo))

T = [i*dt for i in range(150)] 
X = [ (-l/5. + i*dx).n() for i in range(N)]

@interact
def _(ti=slider(range(1,len(Tlst)))):
    print "t=",dt*ti,"Norma=",sum(Tlst[ti])*(l/(N-1))
    plt = point(zip(X,Tlst[ti]),figsize=(7,3),color='red') 
    plt +=  plot(c(x,dt*ti),(x,-l/2,l/2))
    plt.show(figsize=(8,3))


Out[262]:
Unormowanie wzoru analitycznego: 1.0
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In [132]:



Out[132]:


In [70]:



Out[70]:

Układ reakcji-dyfuzji: Model Fishera Kołogomorowa

 


In [210]:
import numpy as np 
from scipy.sparse import dia_matrix


Out[210]:


In [211]:
%timeit 
sparse = True
slicing = False

Dyf = 1.0
r = 1.0
l = 100.0 # dlugosc ukladu
t_end = 100 # czas symulacje

N = 250 # dyskretyzacja przestrzeni
h = l/(N-1) 
dt = 0.052/(Dyf*(N-1)**2/l**2) # 0.2 z warunku CFL, krok nie moze byc wiekszy

sps = int(1/dt) # liczba krokow na jednostke czasu
Nsteps=sps*t_end  # calkowita liczba krotkow 

print "sps=",sps,"dt=",dt,'Nsteps=',Nsteps

if sparse:
    L = dia_matrix( (np.array([N*[-2.],N*[1.],N*[1.]]),np.array([0,-1,1])), shape=(N,N))
if slicing:
    one = np.identity(N)
    L=np.roll(one,-1)+np.roll(one,1)-2*one
    L[0,0]=1.
    L[-1,-1]=1.




# warunek poczatkowy
u = np.zeros(N)
#u[int(N/2)-20:int(N/2)+20]=1 # step


#for i in range(1,3):
#    u[i] = 1.0 - i/3.0
u[:int(N/2)]=1

def essential_boundary_conditions(u):
    u[0] = 1.0
    u[-1] = 0.0

Tlst=[]
essential_boundary_conditions(u)

for i in range(Nsteps):
    if not i%sps:
        Tlst.append(list(u))
    if slicing:
        u[1:-1] = u[1:-1] + dt*(r*u[1:-1]*(1-u[1:-1]) + Dyf*(N-1)**2/l**2*np.diff(u,2))
    else:    
        u = u + dt*(r*u*(1-u)  + Dyf*(N-1)**2/l**2*L.dot(u))
    
    essential_boundary_conditions(u)
print "Saved ",len(Tlst), " from ", Nsteps


Out[211]:
sps= 119 dt= 0.00838696150062096 Nsteps= 11900
Traceback (most recent call last):    t_end = 100 # czas symulacje
  File "", line 1, in <module>
    
  File "/tmp/tmptU54wL/___code___.py", line 21, in <module>
    L = dia_matrix( (np.array([N*[-_sage_const_2p ],N*[_sage_const_1p ],N*[_sage_const_1p ]]),np.array([_sage_const_0 ,-_sage_const_1 ,_sage_const_1 ])), shape=(N,N))
NameError: name 'dia_matrix' is not defined

In [266]:
pos_lst = []
for T_ in Tlst:
    for (i,a),b in zip(enumerate(T_),T_[1:]):
        if a>=0.5 and b<=0.5:
            pos_lst.append( i+(a-0.5)/(a-b) ) 
        
list_plot( [l/(N-1)*(b-a)/(sps*dt) for a,b in zip(pos_lst,pos_lst[1:])] , figsize=(7,3),gridlines=[[],[2]],ymax=2)


Out[266]:


In [235]:
@interact
def _(ti=slider(range(len(Tlst)))):
    print r"t=",dt*ti
    p =  list_plot(Tlst[ti],plotjoined=True)
    p += list_plot(Tlst[-1],plotjoined=True,color='red',ymin=0,ymax=1.5)
    p += list_plot(Tlst[0],plotjoined=True,color='gray')
    p.show(figsize=(8,3))


Out[235]:


In [237]:
%timeit 

Dyf = 1.0
r = 1.0
l = 100.0 # dlugosc ukladu
t_end = 100 # czas symulacje

N = 100 # dyskretyzacja przestrzeni
h = l/(N-1) 
dt = 0.052/(Dyf*(N-1)**2/l**2) # 0.2 z warunku CFL, krok nie moze byc wiekszy

sps = int(1/dt) # liczba krokow na jednostke czasu
Nsteps=sps*t_end  # calkowita liczba krotkow 

print "sps=",sps,"dt=",dt,'Nsteps=',Nsteps

# warunek poczatkowy
u = np.zeros((N,N))

#u[int(N/2)-5:int(N/2)+5,int(N/2)-5:int(N/2)+5]=1 # step

#u[:int(N/2)+5,:]=1.0 # step
u[int(N/2),int(N/2)]=1.0


def essential_boundary_conditions(u):
    u[:,0] = 0.0
    u[:,-1] = 0.0
    u[-1,:] = 0.0
    u[0,:] = 0.0

Tlst=[]
essential_boundary_conditions(u)

for i in range(Nsteps):
    if not i%sps:
        Tlst.append(u.copy())
    
    u[1:-1,1:-1] = u[1:-1,1:-1] + dt*(r*u[1:-1,1:-1]*(1-u[1:-1,1:-1]) + \
     Dyf*(N-1)**2/l**2*(np.diff(u,2,axis=0)[:,1:-1]+np.diff(u,2,axis=1)[1:-1,:]))
    
    essential_boundary_conditions(u)

print "Saved ",len(Tlst), " from ", Nsteps


Out[237]:
sps= 18 dt= 0.0530558106315682 Nsteps= 1800
Saved  100  from  1800
CPU time: 1.58 s,  Wall time: 1.58 s

In [215]:
import pylab

@interact
def _(ti=slider(range(len(Tlst)))):
    print r"t=",dt*ti
    if True: 
        pylab.clf()   
        pylab.imshow(Tlst[ti],origin='top')
        pylab.savefig('1.png',dpi=70)
    else:
        p =  matrix_plot(Tlst[ti])
        p.show(figsize=(4,4))


Out[215]:

Rozwiązania spiralne w układzie reakcji z dyfuzją (Bielousow-Zabotyński)

 


In [268]:



Out[268]:

Dynamika modelu bez dyfuzji.


In [267]:
a=1.0
b=0.1
eps=0.1

a = 0.75
b = 0.0006
eps = 0.072

var('u v')
f(u,v) = u*(1-u)*(u-(v-b)/a)
g(u,v) = u-v
V = vector( (1/eps*f,g))
V=V/V.norm()
vfield=plot_vector_field(V,(u,0,1),(v,0,1))+implicit_plot(g,(u,0,1),(v,0,1))
t = srange(0,4/eps,0.01)
sol = desolve_odeint([19*f,g], [0.5,0.0], t, [u,v])  
plt_phase = vfield+line(sol,color='red',figsize=5)
plt_time = line(zip(t,sol[:,0]),figsize=5)
html.table([[plt_phase,plt_time]])


Out[267]:


In [270]:



Out[270]:


In [218]:
%timeit 
import numpy as np
sparse = True
slicing = True

Dyf_u = 1.0
Dyf_v = 0.052
Dyf = max(Dyf_u,Dyf_v)

a = 1.0 
b = 0.001
eps = 0.072

l = 100.0 # dlugosc ukladu
t_end = 100 # czas symulacje

N = 160 # dyskretyzacja przestrzeni
h = l/(N-1) 
dt = 0.052/(Dyf*(N-1)**2/l**2) # 0.2 z warunku CFL, krok nie moze byc wiekszy

dt_dyn = (1.0/eps)/125.0

sps = int(1/dt) # liczba krokow na jednostke czasu
Nsteps=sps*t_end  # calkowita liczba krotkow 

print "dt,dt_dyn",dt,dt_dyn
dt = min(dt,dt_dyn)
print "sps=",sps,"dt=",dt,'Nsteps=',Nsteps

# warunek poczatkowy
u = np.zeros((N,N))
v = np.zeros((N,N))

#u[int(N/2)-5:int(N/2)+5,int(N/2)-5:int(N/2)+5]=1 # step

#u[:int(N/2)+5,:]=1.0 # step

#u[int(N/2)-5:int(N/2)+5,int(N/2)-20:int(N/2)+20]=1.0
#v[int(N/2)-5:int(N/2)+3,int(N/2)-20:int(N/2)+20]=1.0

#u[int(N/2)-5:int(N/2)+5,int(N/2)-20:int(N/2)+20]=1.0
#v[int(N/2)-5:int(N/2)+5,int(N/2)-22:int(N/2)+18]=1.0

#u[-20:-1,int(N/2)-5:int(N/2)+5]=1.0
#v[-20:-1,int(N/2)-6:int(N/2)+4]=1.0

#u[:5,:]=1.0
#v[:4,:]=1.0

#u[-10:,:]=1.0
#v[-4:,:]=1.0


u[:int(N/2),int(N/2)-5:int(N/2)+5]=1.0
v[:int(N/2),int(N/2)-6:int(N/2)+4]=1.0
# aby wymusic ruch falowy, przesuwamy u wzgledem v

def essential_boundary_conditions(u):
    u[:,0] = 0.0
    u[:,-1] = 0.0
    u[-1,:] = 0.0
    u[0,:] = 0.0
    v[:,0] = 0.0
    v[:,-1] = 0.0
    v[-1,:] = 0.0
    v[0,:] = 0.0
    

Tlst=[]
Tvlst=[]
essential_boundary_conditions(u)

for i in range(Nsteps):
    if not i%sps:
        Tlst.append(u.copy())
        Tvlst.append(v.copy())
    
    u[1:-1,1:-1] = u[1:-1,1:-1] + dt*(1.0/eps*u[1:-1,1:-1]*(1-u[1:-1,1:-1])*( u[1:-1,1:-1]-(v[1:-1,1:-1]+b)/a ) + \
     Dyf_u*(N-1)**2/l**2*(np.diff(u,2,axis=0)[:,1:-1]+np.diff(u,2,axis=1)[1:-1,:]))

    v[1:-1,1:-1] = v[1:-1,1:-1] + dt*( (u[1:-1,1:-1]-v[1:-1,1:-1]) )
    # + \
    # Dyf*(N-1)**2/l**2*(np.diff(v,2,axis=0)[:,1:-1]+np.diff(v,2,axis=1)[1:-1,:]))
    essential_boundary_conditions(u)
    
print "Saved ",len(Tlst), " from ", Nsteps


Out[218]:
dt,dt_dyn 0.0205688066136624 0.111111111111111
sps= 48 dt= 0.0205688066136624 Nsteps= 4800
Saved  100  from  4800
CPU time: 9.66 s,  Wall time: 9.66 s

In [250]:
anim=animate([matrix_plot(u,cmap='jet',figsize=(2,2)) for u in Tlst[:35]])
anim.show()


Out[250]:


In [221]:
import pylab

@interact
def _(ti=slider(range(len(Tlst)))):
    print r"t=",dt*ti*sps
    if True: 
        pylab.subplot(1,2,1)   
        pylab.imshow(Tlst[ti],vmin=0,vmax=1,origin='top')
        pylab.subplot(1,2,2) 
        pylab.imshow(Tvlst[ti],vmin=0,vmax=1,origin='top') 
        pylab.savefig('1.png',dpi=70)
    else:
        p =  matrix_plot(Tlst[ti])
        p.show(figsize=(4,4))


Out[221]:


In [244]:
anim=animate([matrix_plot(u,cmap='jet',figsize=(2,2)) for u in Tlst[40:72:2]])
anim.show()


Out[244]:


In [247]:



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In [271]:



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In [248]:



Out[248]:
0.26456124029465322

In [242]:



Out[242]:

Gray Scott model

a=1.0

b=0.1

eps=0.1

a = 0.75

b = 0.0006

eps = 0.072

var('u v')

f(u,v) = u*(1-u)*(u-(v-b)/a)

g(u,v) = u-v

V = vector( (1/eps*f,g))

V=V/V.norm()

vfield=plot_vector_field(V,(u,0,1),(v,0,1))+implicit_plot(g,(u,0,1),(v,0,1))

t = srange(0,4/eps,0.01)

sol = desolve_odeint([19*f,g], [0.5,0.0], t, [u,v])  

plt_phase = vfield+line(sol,color='red',figsize=5)

plt_time = line(zip(t,sol[:,0]),figsize=5)

html.table([[plt_phase,plt_time]])

Dynamika modelu (bez dyfuzji)

 


In [251]:
F = 0.1
k = 0.04

F = 0.04
k = 0.062

var('u v')
f(u,v) = -u*v^2+ F*(1-u)
g(u,v) = u*v^2-(F+k)*v
V = vector( (f,g))
V=V/V.norm()
vfield=plot_vector_field(V,(u,-0.1,1.2),(v,-0.1,1.2))
nullclines=implicit_plot(f,(u,-0.1,1.2), (v,-0.1,1.2),color='red')+implicit_plot(g,(u,-0.1,1.2),(v,-0.1,1.2),color='green')
t = srange(0,226,0.01)
plt_phase = vfield+nullclines
sol = desolve_odeint([f,g], [1,0.25], t, [u,v])  
plt_phase += line(sol,color='blue',figsize=5)
plt_time = line(zip(t,sol[:,0]),figsize=5) + line(zip(t,sol[:,1]),color='green')
html.table([[plt_phase,plt_time]])


Out[251]:
<html>
<div class="notruncate">
<table class="table_form">
<tbody>
<tr class ="row-a">
<td><img src='cell://sage0.png'></td>
<td><img src='cell://sage1.png'></td>
</tr>
</tbody>
</table>
</div>
</html>

In [258]:



Out[258]:


In [243]:
%timeit 


Dyf_u = 2e-5
Dyf_v = 2e-5
Dyf = max(Dyf_u,Dyf_v)
F = 0.04
k = 0.0562
l = 2.5 # dlugosc ukladu
t_end = 100 # czas symulacje

N = 256 # dyskretyzacja przestrzeni
h = l/(N-1) 
dt = 0.052/(Dyf*(N-1)**2/l**2) # 0.2 z warunku CFL, krok nie moze byc wiekszy

#dt_dyn = (1.0)/125.0
#dt = min(dt,dt_dyn)


#sps = int(1/dt) # liczba krokow na jednostke czasu
#Nsteps=sps*t_end  # calkowita liczba krotkow

n=1
dt = 1.0/n
Nsteps = 20000*n
sps = n*10

print "dt,dt_dyn",dt,dt_dyn
print "sps=",sps,"dt=",dt,'Nsteps=',Nsteps

# warunek poczatkowy
u = np.ones((N,N))
v = np.zeros((N,N))


u[int(N/2)-10:int(N/2)+20,int(N/2)-10:int(N/2)+10]=.5
v[int(N/2)-10:int(N/2)+10,int(N/2)-20:int(N/2)+10]=.24


u = u + np.random.uniform(low=0,high=0.01,size=(N,N))
v = v + np.random.uniform(low=0,high=0.01,size=(N,N))



def essential_boundary_conditions(u):
    u[:,0] = 1.0
    u[:,-1] = 1.0
    u[-1,:] = 1.0
    u[0,:] = 1.0
    v[:,0] = 0.0
    v[:,-1] = 0.0
    v[-1,:] = 0.0
    v[0,:] = 0.0

Tlst=[]
Tvlst=[]
essential_boundary_conditions(u)

for i in range(Nsteps):
    if not i%sps:
        Tlst.append(u.copy())
        Tvlst.append(v.copy())
    
    u[1:-1,1:-1] = u[1:-1,1:-1] + dt*(-u[1:-1,1:-1]*v[1:-1,1:-1]**2 + F*(1.0r-u[1:-1,1:-1])  + \
     Dyf_u*(N-1)**2/l**2*(np.diff(u,2,axis=0)[:,1:-1]+np.diff(u,2,axis=1)[1:-1,:]))

    v[1:-1,1:-1] = v[1:-1,1:-1] + dt*( u[1:-1,1:-1]*v[1:-1,1:-1]**2 - (F+k)*v[1:-1,1:-1]+ \
     Dyf_v*(N-1)**2/l**2*(np.diff(v,2,axis=0)[:,1:-1]+np.diff(v,2,axis=1)[1:-1,:]))
    essential_boundary_conditions(u)
    
print "Saved ",len(Tlst), " from ", Nsteps
pylab.clf()
pylab.imshow(u,vmin=0.2,vmax=1,origin='top') 
pylab.colorbar()
pylab.savefig('1.png',dpi=70)


Out[243]:
dt,dt_dyn 1.00000000000000 0.00800000000000000
sps= 10 dt= 1.00000000000000 Nsteps= 20000
Saved  2000  from  20000
CPU time: 88.02 s,  Wall time: 88.02 s

In [257]:
import pylab

@interact
def _(ti=slider(range(len(Tlst)))):
    print r"t=",dt*ti*sps
    pylab.clf() 
    pylab.subplot(1,2,1)   
    pylab.imshow(Tlst[ti],vmin=0,vmax=1,origin='top')
    pylab.subplot(1,2,2) 
    pylab.imshow(Tvlst[ti],vmin=0,vmax=1,origin='top') 
    pylab.colorbar()
    pylab.savefig('1.png',dpi=70)


Out[257]:


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