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Fractional Diffusion Equations IMPA November 1 2017 William Rundell Texas A&M University Historical Classical Diffusion Robert Brown (1828) Experimental observation of diffusion Thomas Graham (1827) Adolf Fick (1855): Macro


  1. Fractional Diffusion Equations IMPA November 1 2017 William Rundell Texas A&M University

  2. Historical Classical Diffusion � Robert Brown (1828) Experimental observation of diffusion Thomas Graham (1827) Adolf Fick (1855): Macro derivation of the heat equation J = − K ∇ u, u t = div J, ⇒ u t − K div ∇ u = 0 Einstein (1905): Gave accepted notion of diffusion - particles pushed around by the thermal motion of atoms.

  3. Brownian Random Walk and Classical Diffusion In one space dimension this can be modeled by the master equation p j ( t + ∆ t ) = 1 2 p j − 1 ( t ) + 1 2 p j +1 ( t ) , the index j denotes the position on the underlying 1-dim lattice. It defines the probability density function ( PDF ) p ( t ) to be at position j at time t + ∆ t and to depend on p at the two adjacent sites j ± 1 at time t . 1 2 ⇒ directional isotropy; jumps to the left and right are equally likely. ∆ t is a fixed time step. ∆ x is a fixed jump distance. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . △ x . . . . . . . . . . . . . . . . . . j − 1 j j +1

  4. Brownian Random Walk and Classical Diffusion In one space dimension this can be modeled by the master equation p j ( t + ∆ t ) = 1 2 p j − 1 ( t ) + 1 2 p j +1 ( t ) , the index j denotes the position on the underlying 1-dim lattice. It defines the probability density function ( PDF ) p ( t ) to be at position j at time t + ∆ t and to depend on p at the two adjacent sites j ± 1 at time t . 1 2 ⇒ directional isotropy; jumps to the left and right are equally likely. ∆ t is a fixed time step. ∆ x is a fixed jump distance. = (∆ x ) 2 p j ( t + ∆ t ) − p j ( t ) p j − 1 ( t ) − 2 p j ( t ) + p j +1 ( t ) Rearranging : (∆ x ) 2 ∆ t 2∆ t

  5. Brownian Random Walk and Classical Diffusion In one space dimension this can be modeled by the master equation p j ( t + ∆ t ) = 1 2 p j − 1 ( t ) + 1 2 p j +1 ( t ) , the index j denotes the position on the underlying 1-dim lattice. It defines the probability density function ( PDF ) p ( t ) to be at position j at time t + ∆ t and to depend on p at the two adjacent sites j ± 1 at time t . 1 2 ⇒ directional isotropy; jumps to the left and right are equally likely. ∆ t is a fixed time step. ∆ x is a fixed jump distance. = (∆ x ) 2 p j ( t + ∆ t ) − p j ( t ) p j − 1 ( t ) − 2 p j ( t ) + p j +1 ( t ) Rearranging : (∆ x ) 2 ∆ t 2∆ t ∂tu ( x, t ) = K ∂ 2 ∂ leads to the diffusion equation ∂x 2 u ( x, t ) ,

  6. Brownian Random Walk and Classical Diffusion In one space dimension this can be modeled by the master equation p j ( t + ∆ t ) = 1 2 p j − 1 ( t ) + 1 2 p j +1 ( t ) , the index j denotes the position on the underlying 1-dim lattice. It defines the probability density function ( PDF ) p ( t ) to be at position j at time t + ∆ t and to depend on p at the two adjacent sites j ± 1 at time t . 1 2 ⇒ directional isotropy; jumps to the left and right are equally likely. ∆ t is a fixed time step. ∆ x is a fixed jump distance. = (∆ x ) 2 p j ( t + ∆ t ) − p j ( t ) p j − 1 ( t ) − 2 p j ( t ) + p j +1 ( t ) Rearranging : (∆ x ) 2 ∆ t 2∆ t ∂tu ( x, t ) = K ∂ 2 ∂ leads to the diffusion equation ∂x 2 u ( x, t ) , (∆ x ) 2 The continuum limit is taken such that 2∆ t is a positive K = lim ∆ x → 0 , ∆ t → 0 constant – the diffusion coefficient – it couples the spatial and time scales.

  7. Suppose now the jump length ∆ x has a PDF given by λ ( x ) so that P ( a< ∆ x<b ) = � b a λ ( x ) dx. If λ ( x ) decays sufficiently fast as x → ±∞ , the Fourier transform gives � ∞ � ∞ � 2 ξ 2 x 2 + . . . � � e − iξx λ ( x ) dx = 1 − iξx − 1 λ ( ξ ) = λ ( x ) dx −∞ −∞ 2 ξ 2 µ 2 + . . . , = 1 − iξµ 1 − 1 � ∞ −∞ x j λ ( x ) dx – provided these exist where µ j is the j th moment µ j =

  8. Suppose now the jump length ∆ x has a PDF given by λ ( x ) so that P ( a< ∆ x<b ) = � b a λ ( x ) dx. If λ ( x ) decays sufficiently fast as x → ±∞ , the Fourier transform gives � ∞ � ∞ � 2 ξ 2 x 2 + . . . � � e − iξx λ ( x ) dx = 1 − iξx − 1 λ ( ξ ) = λ ( x ) dx −∞ −∞ 2 ξ 2 µ 2 + . . . , = 1 − iξµ 1 − 1 � ∞ −∞ x j λ ( x ) dx – provided these exist where µ j is the j th moment µ j = Assume λ ( x ) is normalized and even: µ 1 = 0 , µ 2 = 1 and µ 3 = 0 . Then 2 ξ 2 + O ( ξ 4 ) . � f ( ξ ) = 1 − 1

  9. Suppose now the jump length ∆ x has a PDF given by λ ( x ) so that P ( a< ∆ x<b ) = � b a λ ( x ) dx. If λ ( x ) decays sufficiently fast as x → ±∞ , the Fourier transform gives � ∞ � ∞ � 2 ξ 2 x 2 + . . . � � e − iξx λ ( x ) dx = 1 − iξx − 1 λ ( ξ ) = λ ( x ) dx −∞ −∞ 2 ξ 2 µ 2 + . . . , = 1 − iξµ 1 − 1 � ∞ −∞ x j λ ( x ) dx – provided these exist where µ j is the j th moment µ j = Assume λ ( x ) is normalized and even: µ 1 = 0 , µ 2 = 1 and µ 3 = 0 . Then 2 ξ 2 + O ( ξ 4 ) . � f ( ξ ) = 1 − 1 Theorem. If X and Y are independent random variables with a PDF given by f and g , respectively, then the sum Z = X + Y has the PDF f ∗ g .

  10. Suppose now the jump length ∆ x has a PDF given by λ ( x ) so that P ( a< ∆ x<b ) = � b a λ ( x ) dx. If λ ( x ) decays sufficiently fast as x → ±∞ , the Fourier transform gives � ∞ � ∞ � 2 ξ 2 x 2 + . . . � � e − iξx λ ( x ) dx = 1 − iξx − 1 λ ( ξ ) = λ ( x ) dx −∞ −∞ 2 ξ 2 µ 2 + . . . , = 1 − iξµ 1 − 1 � ∞ −∞ x j λ ( x ) dx – provided these exist where µ j is the j th moment µ j = Assume λ ( x ) is normalized and even: µ 1 = 0 , µ 2 = 1 and µ 3 = 0 . Then 2 ξ 2 + O ( ξ 4 ) . � f ( ξ ) = 1 − 1 Theorem. If X and Y are independent random variables with a PDF given by f and g , respectively, then the sum Z = X + Y has the PDF f ∗ g . Assume the steps ∆ X 1 , ∆ X 2 , . . . are independent. Then X n = ∆ X 1 + . . . + ∆ X n gives the position of the walker after n steps.

  11. λ ( ξ )) n , This is also a random variable, and has a Fourier transform p n ( ξ ) = ( � and the normalized sum X n / √ n has the Fourier transform � � n . p n ( ξ/ √ n )) n = 2 n ξ 2 + O ( n − 2 ) 1 ( � 1 − p ( ξ ) = e − ξ 2 2 and inverting the Fourier transform The limit n → ∞ gives � 4 π e − x 2 1 4 . gives a Gaussian distribution p ( x ) = √

  12. λ ( ξ )) n , This is also a random variable, and has a Fourier transform p n ( ξ ) = ( � and the normalized sum X n / √ n has the Fourier transform � � n . p n ( ξ/ √ n )) n = 2 n ξ 2 + O ( n − 2 ) 1 ( � 1 − p ( ξ ) = e − ξ 2 2 and inverting the Fourier transform The limit n → ∞ gives � 4 π e − x 2 1 4 . gives a Gaussian distribution p ( x ) = √ This is a statement of the central limit theorem that the long term averaged behavior of i.i.d. variables is a Gaussian density.

  13. λ ( ξ )) n , This is also a random variable, and has a Fourier transform p n ( ξ ) = ( � and the normalized sum X n / √ n has the Fourier transform � � n . p n ( ξ/ √ n )) n = 2 n ξ 2 + O ( n − 2 ) 1 ( � 1 − p ( ξ ) = e − ξ 2 2 and inverting the Fourier transform The limit n → ∞ gives � 4 π e − x 2 1 4 . gives a Gaussian distribution p ( x ) = √ This is a statement of the central limit theorem that the long term averaged behavior of i.i.d. variables is a Gaussian density. One requirement for the whole procedure to work is that the second moment µ 2 of λ ( x ) be finite.

  14. Now we interpret X n as the particle position after n steps at the time t . We correlate the time step size ∆ t with the variance of ∆ x , following the coupling ansatz and rescaling the variance of λ ( x ) to Kt .

  15. Now we interpret X n as the particle position after n steps at the time t . We correlate the time step size ∆ t with the variance of ∆ x , following the coupling ansatz and rescaling the variance of λ ( x ) to Kt . By the scaling rule for the Fourier transform, the Fourier transform � p n ( ξ ) is p n ( ξ ) = (1 − n − 1 Ktξ 2 + O ( n − 2 )) n Taking the limit of a large number of steps n → ∞ , we arrive at the Fourier p ( ξ ) = e − ξ 2 Kt . transform �

  16. Now we interpret X n as the particle position after n steps at the time t . We correlate the time step size ∆ t with the variance of ∆ x , following the coupling ansatz and rescaling the variance of λ ( x ) to Kt . By the scaling rule for the Fourier transform, the Fourier transform � p n ( ξ ) is p n ( ξ ) = (1 − n − 1 Ktξ 2 + O ( n − 2 )) n Taking the limit of a large number of steps n → ∞ , we arrive at the Fourier p ( ξ ) = e − ξ 2 Kt . transform � Inverting this gives the PDF of being at a certain position x at time t , is governed by the diffusion equation and has the Gaussian PDF 1 e − x 2 / 4 Kt . p ( x, t ) = √ 4 πKt This is the fundamental solution of the heat/diffusion equation

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