Skip to main content

differential equations - Solution diverges in periodic PDE


Problem introduced in 11.0.1 and persisting through 11.3


Mathematica version 11 introduces PeriodicBoundaryCondition which is very useful in solving periodic PDE systems. I'm considering using it to solve a 1D time-dependent Schrodinger equation (1D periodic in space + time). But as a first test, I find that the norm of the solution I get is diverging as a function of time, which seems to be incorrect.


Consider a periodic potential


V[x_] := -0.2 (Cos[(Ï€ x)/5] + 1)


The eigenstates of this periodic potential can be calculated using NDEigensystem


{vals, funs} = 
Transpose@
SortBy[Transpose[
NDEigensystem[{-(1/2) u''[x] + V[x] u[x],
PeriodicBoundaryCondition[u[x], x == -5,
TranslationTransform[{10}]]},
u[x], {x} ∈ Line[{{-5}, {5}}], 3,
Method -> {"SpatialDiscretization" -> {"FiniteElement",

"MeshOptions" -> {"MaxCellMeasure" -> 0.01}}}]], First];

And these are the first five eigenstates


Plot[funs, {x, -5, 5}]

enter image description here


Now as a test, I take the second eigenstates and do a free time-propagation


ufun = NDSolveValue[{I D[u[t, x], t] == -(1/2) D[u[t, x], {x, 2}] + 
V[x] u[t, x], u[0, x] == funs[[2]],
PeriodicBoundaryCondition[u[t, x], x == -5,

TranslationTransform[{10}]]
}, u, {t, 0, 5}, {x} ∈ Line[{{-5}, {5}}],
Method -> {"FiniteElement",
"MeshOptions" -> {"MaxCellMeasure" -> 0.01}}, MaxStepSize -> 0.01];//AbsoluteTiming
(*{13.1789, Null}*)

Since there is no external interaction with the system (there is no term like f[t]*u[t,x] in the equation), the solution should be the same as the initial condition, except for a phase difference. And the norm of the solution should be independent of time. However, for this example, the norm seems to diverge


ListPlot[Table[
NIntegrate[Abs[ufun[t, x]]^2, {x, -5, 5}], {t, 0, 3, .1}],
DataRange -> {0, 3}, PlotRange -> All, Mesh -> Full,

FrameLabel -> {"time", "Norm"}]

enter image description here


So why does the numerical solution diverge? I tried to make MaxStepSize and "MaxCellMeasure" smaller, but it doesn't seem to help.



Answer



The results presented in the question suggest an inconsistency between NDEigensystem and NDSolveValue using the new PeriodicBoundaryCondition. This inconsistency can be localized by plotting ufun at various times.


Table[Plot[Evaluate[ReIm[ufun[t, x]]], {x, -5, 5}], {t, 0, 1, .2}]

enter image description here


Evidently, an error is occurring at the boundaries and propagating in. Moreover, spatial derivatives of the solution visibly are not periodic at the boundary, even though the solution itself is. In contrast, derivatives of funs[[2]] do appear to be periodic, if a bit noisy away from the boundary.



Plot[(-(1/2) D[funs[[2]] , {x, 2}] + V[x] funs[[2]]) /. x -> z, {z, -5, 5}]

enter image description here


(The noise can be reduced by decreasing "MaxCellMeasure". Nonetheless, using {"MaxCellMeasure" -> 0.001} in both functions, although painfully slow, reproduces the spurious growth shown in the second plot of the question.) Thus it appears that a bug in NDSolveValue has been introduced in Version 11.


Addendum


Plot[Im[ufun[0, x]], {x, -5, 5}]

enter image description here


I would have expected Im[ufun] to be zero at t == 0, as Im[funs[[2]]] is.


By the way, WorkingPrecision is not an allowed option for NDEigensystem. I hope it will be accommodated in future versions.



Comments

Popular posts from this blog

plotting - How to draw lines between specified dots on ListPlot?

I would like to create a plot where I have unconnected dots and some connected. So far, I have figured out how to draw the dots. My code is the following: ListPlot[{{1, 1}, {2, 2}, {3, 3}, {4, 4}, {1, 4}, {2, 5}, {3, 6}, {4, 7}, {1, 7}, {2, 8}, {3, 9}, {4, 10}, {1, 10}, {2, 11}, {3, 12}, {4,13}, {2.5, 7}}, Ticks -> {{1, 2, 3, 4}, None}, AxesStyle -> Thin, TicksStyle -> Directive[Black, Bold, 12], Mesh -> Full] I have thought using ListLinePlot command, but I don't know how to specify to the command to draw only selected lines between the dots. Do have any suggestions/hints on how to do that? Thank you. Answer One possibility would be to use Epilog with Line : ListPlot[ {{1, 1}, {2, 2}, {3, 3}, {4, 4}, {1, 4}, {2, 5}, {3, 6}, {4, 7}, {1, 7}, {2, 8}, {3, 9}, {4, 10}, {1, 10}, {2, 11}, {3, 12}, {4, 13}, {2.5, 7}}, Ticks -> {{1, 2, 3, 4}, None}, AxesStyle -> Thin, TicksStyle -> Directive[Black, Bold, 12], Mesh -> Full, Epilog -> { Line[ ...

equation solving - Invert and fit implicitly defined curve

I need to fit an implicitly defined curve. I thought I could get some data out of Solve , and then using FindFit . Therefore, I would like to find the relation the parametric curve defined by $F(x,y)=0$: Solve[-(1/2) + 1/2 (0.41202 BesselK[0, 0.1 Sqrt[x^2 + y^2]] + (0.101483 x BesselK[1, 0.1 Sqrt[x^2 + y^2]])/Sqrt[x^2 + y^2]) == 0, y] But I can't get an output: Solve was unable to solve the system with inexact coefficients or the system obtained by direct rationalization of inexact numbers present in the system. Since many of the methods used by Solve require exact input, providing Solve with an exact version of the system may help. >> Edit: In particular, I would like to fit the data coming from the curve with the expression of another curve, and not with a function $f(x)$. In particular, since this clearly looks like a cardioid , I would like it to fit to something like it. What other strategies could I try?

dynamic - How can I make a clickable ArrayPlot that returns input?

I would like to create a dynamic ArrayPlot so that the rectangles, when clicked, provide the input. Can I use ArrayPlot for this? Or is there something else I should have to use? Answer ArrayPlot is much more than just a simple array like Grid : it represents a ranged 2D dataset, and its visualization can be finetuned by options like DataReversed and DataRange . These features make it quite complicated to reproduce the same layout and order with Grid . Here I offer AnnotatedArrayPlot which comes in handy when your dataset is more than just a flat 2D array. The dynamic interface allows highlighting individual cells and possibly interacting with them. AnnotatedArrayPlot works the same way as ArrayPlot and accepts the same options plus Enabled , HighlightCoordinates , HighlightStyle and HighlightElementFunction . data = {{Missing["HasSomeMoreData"], GrayLevel[ 1], {RGBColor[0, 1, 1], RGBColor[0, 0, 1], GrayLevel[1]}, RGBColor[0, 1, 0]}, {GrayLevel[0], GrayLevel...