Questions tagged [numerics]

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7
votes
2answers
97 views

What good are hard-sphere event-driven molecular dynamics simulations in the face of chaos?

Simple hard-sphere dynamical systems can exhibit chaotic dynamics. Due to finite-precision arithmetic when implemented on a computer, the presence of chaos implies that for a given set of initial data,...
2
votes
0answers
198 views

How to prevent BFGS from getting stuck on astronomically large gradient?

I have implemented BFGS myself from scratch in order to solve minimization problems. Part of BFGS, as I understand it, is that the approximation to the Hessian is supposed to be positive definite, ...
1
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1answer
123 views

Parallel integration of dynamical systems

I need to solve the following problem: $$ \begin{cases} \dot{\vec{x(t)}} = A\vec{x(t)} + u(t)D\vec{x(t)} + u(t)\vec{b}, & x \in (0, T), \\ \vec{x(0)} = \vec{0}, \end{cases}$$ where $u(t)$ is known ...
2
votes
0answers
317 views

Numerical solution to Time-dependent Schrodinger equation with time dependent hamiltonian

Currently I am facing the problem to solve numerically the following equation for a double well harmonic potential: $iℏ\frac{\partial}{\partial t}ψ(x,t)=−\frac{ℏ}{2m}\frac{\partial ^2}{∂x^2}ψ(x,t)+V(...
2
votes
0answers
120 views

2D reaction-diffusion system simulation

I am a complete beginner in numerical simulation and I am pretty lost about how to tackle this problem. I have been trying for some time to find the steady state (or simulate), the following system ...
0
votes
1answer
44 views

Time iteration no longer smooth after using scaled units

I have a time iteration function looked on a 2D surface like this. Since the numbers wee very small i.e. hbar=6.6260700404e-34./(2*pi), my professor told me to use our own "scaled unites" during the ...
1
vote
0answers
154 views

Global truncation error behavior at fixed time step

I am trying to solve the following diffusion equation problem: $\frac{\partial f}{\partial t}=\frac{\partial (D\frac{\partial f}{\partial x})}{\partial x}+S$ $D=1+x^{2}+\sin(x)$ $f(x,0)=1 , f(0,t)...
3
votes
2answers
784 views

Implementing no-flux boundary condition reaction-diffusion PDE

I'm having trouble figuring out how to implement boundary conditions for this problem: \begin{align} \frac{\partial n}{\partial t} &= D_n\nabla^2n - \nabla\cdot\left(\frac{\chi}{1+\alpha c}n\nabla ...
2
votes
1answer
51 views

Test on a set of high degree polynomials whose coefficients in {-1,0,1}

I'm looking for the best way of implementing the following algorithm: consider the set of all polynomials with a high degree (say, degree 30) whose coefficients ranges from a given set of values (say, ...
1
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0answers
57 views

Numerical analysis: Chebyshev coefficient representation error

If $x_k$ are the Chebyshev nodes, that is for $n \in \mathbb{N}^*$, we have $x_k = \cos(\pi \frac{2k + 1}{n})$. Now suppose you have approximated values of $x_k$ and $x_{k'}$ for $k,k' \leq n$. In the ...
1
vote
3answers
100 views

Discretization Error amplification instead of stagnation to machine precision

I wrote a code on Python 2.7.5 to solve numerically the following differential equation. $\frac{\partial^2f}{\partial x^2}=-S$ $S=\pi^{2}\sin(\pi x)$ S is chosen that way in order to have $f= \sin(\...
2
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0answers
113 views

Why would someone use empirical sum instead of numerical integration methods?

In the context of a scientific computing application, using data coming from (powerful) embedded systems, acquiring raw data (but from calibrated acquisition electronics), I have been asked to ...
2
votes
1answer
2k views

Applying Neumann boundaries to Crank-Nicolson solution in python

Consider the heat equation $$u_t = \kappa u_{xx}$$ with boundary conditions of $$u(x,0)=0\\ u(0,t)=100\\ u(l,t)=0$$ Numerical analysis by pyton can be done with ...
2
votes
1answer
121 views

Calculation of the EFIE integral

I need help computing the following integral: $$ \int_{}\frac{(1+jk|\vec{r}-\vec{r}^\prime|)e^{-jk|\vec{r}-\vec{r}^\prime|}}{|\vec{r}-\vec{r}^\prime|}d\vec{r}^\prime $$ in this integral $\vec{r}$ ...
3
votes
1answer
186 views

Numerical Lax-Wendroff scheme order of convergence on Burgers equation

I was suggested to move that question here. The question to be as follows. Statement of the problem Is it possible to achieve the second order of convergence (OOC) of Lax-Wendroff (LxW) scheme ...
1
vote
1answer
50 views

Problems with deriving an equation for a finite-difference scheme given in the journal paper

I'm reading this paper and trying to follow everything that the author has done. A Comparative Study of Finite Volume Method and Finite Difference Method for Convection-Diffusion Problem But there ...
2
votes
0answers
109 views

Meaning of a symbol in a research paper

The 2014 paper "Iteration-Free Computation of Gauss--Legendre Quadrature Nodes and Weights" by I. Bogaert (https://doi.org/10.1137/140954969) contains the following expression in Appendix A: What is ...
1
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0answers
47 views

Apply flux-limiter to nonlinear hyperbolic equation

I am trying to solve the LWH traffic flow equation, which is a nonlinear hyperbolic equation $$\frac{\partial \rho}{\partial t}+\frac{\partial (v\rho)}{\partial x}=0,$$ where $$v=v_0(1-\frac{\rho}{...
1
vote
1answer
74 views

Defining dimensionless tempearture for Periodic flow systems

Given a flow inside a square duct with constant temperature at the walls $(T_{w1} = T_{w2} = T_w)$ the physical property in terms of temperature that repeats itself in a periodic fashion is the $\...
1
vote
1answer
117 views

Questions about iterative projection methods in Saad book

I am reading Chapter 5 of Saad's iterative methods book, and I don't understand section 5.2.1 about the two propositions of optimality results. In the statements of the propositions, what does it mean ...
3
votes
1answer
80 views

Fabry-Perot Interferometer with Frequency-Dependent Refractive Index

I am looking for assistance with calculating the fabry-perot standing modes in a resonator which has a non-static refractive index. For a resonator with perfectly reflective mirrors only the standing ...
1
vote
0answers
67 views

Stable Method of orthogonal projection onto a subspace with the help of Moore-Penrose inverse,

Projection of a vector $v$ onto the column space of a matrix $A$ is given by $AA^\dagger v$. From the definition of Moore-Penrose Inverse we know that $AA^\dagger v = (A^T)^\dagger A^T v $. Below is ...
3
votes
0answers
84 views

Stabilizing online average calculation

In Knuth, the following method for computing an average is presented: \begin{align*} M_{n} = M_{n-1} + (x_{n} - M_{n-1})/n \end{align*} (See here, if you don't have TAOCP.) Assuming the samples all ...
2
votes
1answer
132 views

Implementation details for high order IMEX methods by Kennedy and Carpenter

This question is a continuation of Fourth order IMEX Runge-Kutta method, concerning the implementation. Is seems to me that the first implicit stage value involves a direct evaluation, rather than ...
1
vote
0answers
92 views

Eigenvalue problem (LAPACK)

I am working on a project in numerical analysis which I have to program in C (using Lapack and Blas). Matrix is given which is tridiagonal and "almost" symmetric (one element is to be changed to make ...
3
votes
0answers
173 views

Convergence of Gauss quadrature for a discontinuous function

Is there a known error estimate for Gaussian quadrature when applied to a discontinuous function? For simple one-dimensional experiments, the error appears to be bounded by $C h$, where $C$ is some ...
0
votes
1answer
675 views

Crank–Nicolson method for nonlinear differential equation

I want to solve the following differential equation from a paper with the boundary condition: The paper used the Crank–Nicolson method for solving it. I think I understand the method after googling ...
3
votes
0answers
81 views

Backward stable algorithm to get orthogonal projection onto the column space of a matrix

I have to find the orthogonal projection of a vector $b$ onto the matrix $A$ of size $m \times n$. In my application, I don't have the luxury of calculating the QR factorization. All I have are ...
3
votes
1answer
585 views

Finite difference method basic implementation on Octave

Trying to study the error of FDM for a second order derivative versus step size I calculated the coefficients and validated them, but the output has errors for small step sizes. The function in ...
0
votes
2answers
153 views

Nédélec Elements and Newton-Methods

If you want to develop numerical algorithms for variational inequalities, you often choose a Semismooth Newton Method. In many cases, this approach involves derivatives of $\max$ or $\min$ functions ...
2
votes
0answers
147 views

What could be causing multi-dimensional numerical integration inconsistency?

I'm trying to numerically integrate a multi-dimensional expression. The integrand is complicated; for example this is the integrand for $N=4$: $$\begin{aligned}&x_1^6x_2^5x_3^3x_4^2(x_1-x_1x_2)(...
7
votes
1answer
143 views

Element-wise thresholding a low-rank matrix in O(n) time?

Define the element-wise thresholding operator $T_\tau(\cdot)$ with threshold $\tau$ as $$ [T_\tau(X)]_{i,j} = \begin{cases} X_{i,j} &\mbox{if } |X_{i,j}| \ge \tau, \\ 0 & \mbox{if } |X_{i,j}|...
1
vote
1answer
246 views

FFT Poisson Solver for non-uniform grid

I have a 3D solver for the incompressible Navier-Stokes equations which uses a FFT library for the Poisson equation with a uniform grid on all directions. In 2D the Poisson equation is given by: $$ ...
2
votes
3answers
312 views

Matrix vector multiplication performance

I have been learning about the impact of cache size on code performance. I wrote a small code to see how using a column major loop in MATLAB would be better than using a row major loop, since MATLAB ...
1
vote
0answers
94 views

(Approximate) Incremental Projection Method for Navier-Stokes equations

I am trying to implement an incremental projection method for the 2D incompressible Navier-Stokes. The type of projection method I am trying is $$ \frac{u^{*} - u^{n}}{dt} = - \nabla p^{n} - u \cdot ...
1
vote
1answer
641 views

Proper boundary conditions for potential flow around cylinder

I am computing the stationary, incompressible, inviscid and irrotational flow around a circular cylinder using a discretization in general coordinates. I derived a PDE and proper boundary conditions ...
3
votes
3answers
127 views

How to calculate $\arg(z_1z_2\cdots z_n)$ to minimize results error?

As in title, which method is the most optimal for numerical calculating value of: $\arg(z_1z_2\cdots z_n)$? Method 1: one can first calculate $Z=z_1z_2\cdots z_n$ and then calculate $\arg(Z)$. ...
4
votes
0answers
161 views

How to apply an integrated constrain condition in FEM?

I'm running some simulation using FEM. In my model I need to apply a constraint condition to the governing equation. My governing equation similar to the diffusion equation as below: $$\frac{\...
2
votes
0answers
119 views

What is Chebfun `eigs` doing

What is this doing? Looks like the original eigenvalue problem is converted into generalized eigenvalue problems with different dimensions of collocation points. Can someone explain more about this? ...
0
votes
1answer
96 views

How to treat non-linear term in finite difference solution of $T''_x+T''_y+aT^2=0$?

Can we linearize $T^2$ When solving $T''_x+T''_y+aT^2=0$ by finite difference? I solved $T''_x+T''_y=0$ in Matlab using a finite difference explicit scheme. But when there is a source term, I come ...
1
vote
1answer
144 views

Integrating over $\mathbb{R}^{3}$ without a convex subset

I am working on a problem (solid state physics, I am stripping all the details for brevity but if more details can help I'll elaborate) where I need to numerically calculate an integral of the form: $$...
2
votes
1answer
249 views

How to show that Gauss-Seidel iterative method is equivalent to successively setting each component of residual vector to zero?

As stated in the title, it's said in the book that Gauss-Seidel iterative method is equivalent to successively setting each component of residual vector to zero. After rearranging G-S scheme, I got ...
0
votes
3answers
346 views

Why there are people that still prefer fortran 77 over new versions?

I am reading some notes from a course in numerical analysis for physical sciences and it is my impression that there are still people that prefer Fortran 77 over new version due to the implicit ...
0
votes
1answer
116 views

Normalization of MATLAB HermiteH

I was wandering - what kind of normalization does Matlab use in hermiteH, its implementation of the Hermite polynomials? It is certainly not the case that they use ...
1
vote
0answers
362 views

Vectorised root finding in Python

I have an array of size (254, 80) which I am trying to use Scipy's fsolve on. I have found that the speed of using fsolve on a vector is quicker than it is in a for loop but only for vectors upto ...
1
vote
2answers
502 views

What is a relative condition number of a sum of positive values?

We want to compute the relative condition number of: $$x_1+x_2+x_3+\cdots$$ We assume all values are positive, and we will do a limit of a large $x_1=10^{8}$, and smaller values for all the other ...
1
vote
0answers
454 views

Newton - Raphson method : maxima of function in 2 variables

I am computing the maximum of a function (with two-variables) using Newton-Raphson method. The function is : $e^{-(x \ - x_0)^2 - (y \ - y_0)^2}$, whose maxima exists at $(x_0,y_0)$. The Jacobian ...
0
votes
1answer
299 views

Crank-Nicolson method and mixed derivatives

I am curious if anyone had literature references or knowledge on how to apply the Crank-Nicolson (with approximate factorization) to the $$ \nabla \cdot (\nu (\nabla \mathbf{u} + \left(\nabla \mathbf{...
8
votes
2answers
316 views

Lagrange multipliers space is too rich in a mathematical view

Background: Lagrange multiplier method has been employed in numerous fields, such as contact problems, material interfaces, phase transformation, stiff constraints or sliding along interfaces. It is ...
1
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0answers
204 views

the augmented global stiffness matrix is not positive semi-definite using Lagrange Multipliers method within FEM

The augmented global stiffness matrix is not positive semi-definite when using Lagrange Multipliers method to enforce boundary constraints on a simple square domain of integral form: I am considering ...

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