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12
votes
1answer
3k views

Strong vs. weak solutions of PDEs

The strong form of a PDE requires that the unknown solution belongs in $H^2$. But the weak form requires only that the unknown solution belongs in $H^1$. How do you reconcile this?
0
votes
0answers
7 views

Prove that the set of maximizers are independent of parameter in the objective function

A maximization problem reads as $$ J(y) = \sum_{k=1}^{K} \sigma_k^q(y) \mathop{\rightarrow}^{y} max$$ where $q \in [1,\infty]$ is a user-defined parameter and functions $\sigma_k, k=\{1,\dots,K\}$ ...
-1
votes
0answers
14 views

gnuplot splot command analog in Paraview

I would like to plot the points contained in this file with Paraview, but can't seem to figure out how to do so. Each column in this file corresponds to a set of 2048 points on a 64x32 grid. Each ...
0
votes
0answers
5 views

Necessary information that a toplogical optimisation solver needs to collecte from a pre-processed CAD model

I am developing a solver that gets a CAD model as entry and does the topological optimisation calculation on it. My solver is inspired by the open source codes presented in literature. Since it is ...
2
votes
1answer
13 views

Find index for submatrix with maximum sum

Given an N-dimensional matrix A, I want to find an M<N dimensional index array I such ...
1
vote
2answers
81 views

Custom exponents for Lennard Jones in LAMMPS

I am trying to run an MD simulation using this generalized version of Lennard Jones. $$ U(r) = \left(\frac{r_0}{r}\right)^A -\frac{A}{B}\left( \frac{r_0}{r} \right)^B $$ However, I do not know how ...
0
votes
0answers
19 views

What's wrong with the **PCG and MINRES** in matlab?

Last week, I have learned the details of the robust iterative methods of PCG, MINRES, GMRES, which will converges to the exact solution $x^*$ of nonsingular system within $N$ steps for $A\in \mathbb{R}...
0
votes
0answers
24 views

Windows 10 System Repair, possible to rework that software to allow usb to be used instead for computers with no dvd drive? [closed]

Since many computers today do not come with a CD Drive, am wondering if there is a way to rework the recovery software, which allowed for a system image backup using a recovery USB but it only allows ...
2
votes
1answer
115 views

How to optimize sampling for parameter estimation

I have a computer model with a number of parameters that need to be calibrated based on experimental results. It's also important to understand the sensitivity of the results to each parameter ...
2
votes
3answers
194 views

Amplitude at a given frequency in a wide band signal

Could anyone suggest the most computationally efficient method for finding amplitude at a given frequency having a noisy wide band signal. To be more specific about a task. I have some physical ...
1
vote
2answers
72 views

FVM vs FDM vs Conservative form vs Non conservative form

My question is regarding solving the conservative form and the non-conservative form of the governing-equations (GE), like continuity or the navier stokes equation, using finite difference method (FDM)...
0
votes
1answer
491 views

Finite Element Analysis for Laminated Plates with Holes or Patches

As the title says, I am trying to code in FEM a plate structure that either has a hole in one of the layers or one of the layers is made of patches of plates, rather than one whole plate. However, ...
2
votes
2answers
71 views

Solving for a vector in a linear system that is both left and right multiplied

I have a linear system where I am given 2 matrices, $A$ and $B$, and 2 vectors, $v$ and $c$, and I need to solve for the vector $x$. $A$ is $n\times n$, $B$ is $n \times n \times n$, and the vectors $...
2
votes
1answer
106 views

Some proof that linear translations and rotations of a bound-constrained function are equivalent

For example, I have a function to optimize: $$f_1(x,y) = x^2+y^2, \quad x_{lb}\le x\le x_{ub},\quad y_{lb}\le y\le y_{ub}$$ Then I apply rotation by $\theta$ plus translation by $x_0$ and $y_0$: $$f_2(...
0
votes
0answers
25 views

Tight binding model calculation with Extended Huckel Approximation

I've been reading Albright's Orbital Interactions in Chemistry. In the chapter on solids, he provided a general approach to find the band structure of a solid state system Now if we are to model a ...
1
vote
2answers
59 views

When should I write a matrix-vector function to handle the sparse matrix vector multiplication?

This semster, I have been studying the iterative methods for large sparse matrix system. But I have some questions. For large sparse matrix, we must use an economic storage to store them. The most ...
0
votes
1answer
57 views

Multi-domain 3D Geometries for MATLAB PDE Toolbox

In principle the PDE Toolbox in MATLAB can handle multi-domain 3D geometries as noted here. This feature and the associated function geometryfromMesh were introduced in MATLAB R2018a. The associated ...
2
votes
0answers
34 views

Methods to approximate obective function gradients from point cloud

Problem statement: Assume that I have an objective function $f(x)$ which takes as input a $D$-dimensional vector $x\in\mathbb{R}^D$, and that $f(x)$ is sufficiently smooth. Assume further that I ...
0
votes
1answer
26 views

Produce vertex displacements from volumetric shrinkage data on unstructured meshes

I was wondering what would be an efficient way to produce compatible displacements for mesh nodes/vertices if the computed data is volume shrinkage of each element/cell in the unstructured mesh? ...
0
votes
0answers
24 views

Fast algorithm for computing lower mode shapes and natural frequencies in MATLAB using sparse stiffness and mass matrices

I am looking for a fast algorithm for computing eigenvalues and eigenvectors from sparse stiffness and mass matrices in MATLAB. The eig(K, M) doesn't work with ...
-1
votes
2answers
35 views

How to use natural logarithm inside Expression

I'm trying to evaluate the exact solution of heat diffusion in circular plate. I'm not able to use the natural logarithm inside expression. ...
2
votes
1answer
57 views

Does mass balance hold in convective diffusion

I'm trying to understand how convection-diffusion equations are solved in pipe flow modules available in CFD solvers. $$ \frac{\partial C}{\partial t} + \nabla \cdot (\mathbf{v} C) = \nabla \cdot (D \...
4
votes
1answer
106 views

Complex differentiation of linear solvers

I have a linear system $$Ax=b$$ which I'm solving approximately, and I need to take the frechet derivative of x with respect to z. Were I solving the problem exactly (either analytically or to machine ...
4
votes
1answer
88 views

Recommendation for a fixed-step ODE solver?

My problem involves the solution of a second-order ODE with a fixed-step (input and output). Specifically, this ODE is the radial part of Dirac and Schrödinger equation for a spherical symmetric ...
2
votes
1answer
98 views

Modified Equation and Stability for Centred Finite Differences for Wave Equation

I am trying to use the modified equation to derive the stability condition for the finite difference approximation $$ \frac{u(x,t+\Delta t) - 2 u(x, t) + u(x, t -\Delta t)}{\Delta t^2} = c^2 \frac{...
1
vote
3answers
487 views

Create mesh for complicated 3D object for finite element analysis

I see images of steel connections, concrete dams, and other complicated 3D objects in papers which finite element analysis has been performed on them. My questions are: How these objects are created ...
1
vote
1answer
80 views

Numerical solution to the Landau-Zener problem

I tried to use a midpoint method and numerically solve the Schrödinger equation for the original Landau-Zener (LZ) problem: a $2\times 2$ Hamiltonian $$\left(\begin{array}{c} \alpha t\\ \delta \end{...
11
votes
2answers
388 views

What guidelines should I follow for simulation software projects?

I am not sure whether this question belongs here, but I would like to give it a try and benefit from the experience of the people at scicomp.SE. From my experience, the software quality in ...
6
votes
0answers
92 views

fastest way to compute many small dot products

I have two n-by-3 blocks contiguous in memory ("n vectors of length 3") and I'd like to compute the dot product between each of the rows as fast as possible. In numpy, using ...
2
votes
1answer
33 views

Does the k-th approximate solution of a stationary iteration belong to the k-th Krylov subspace?

For an stationary iteration method solving $Ax=b$ as follows: $$ Mx_k = Nx_{k-1}+b, $$ I have known that when $M = I$, i.e., the Richardson iteration, the k-th solution $x_k = x_{k-1}+r_{k-1}$ is in ...
1
vote
1answer
28 views

What is the standard, extrapolation, and modified version of Richardson iteration method?

I have been studying the iterative methods recently. For classical iterative methods solving $Ax=b$, I have seen that the most simplest iteration method is the so-called "Richardson iteration". But I ...
1
vote
1answer
295 views

Suitable finite difference method for a convection-diffusion system?

I am trying to solve a system of PDEs $H_{t} = \frac{0.3}{0.7} - \frac{0.005 B f(h(H))}{\theta} - \frac{0.3 f(h(H))}{0.7} + \frac{500}{0.7} (HH_x)_x + (HH_y)_y$ $N_t = \frac{N_{in} - 0.002 [N] B f(h(...
2
votes
1answer
51 views

What method to solve a sparse complex symmetric (non-Hermitian) system?

I have a sparse system (about 78% of zero entries) that is complex and symmetric (but not Hermitian). The following figure shows the structure of the problem. The off-diagonal blocks are incidence ...
2
votes
1answer
78 views

Why Krylov subspace iterative methods are faster than classical iteration?

This semester, I have been studying the most popular iterative methods, i.e., Krylov subspace iteration methods. For a large sparse system linear $$ Ax=b, $$ where $A$ is nonsingular, I know that ...
0
votes
0answers
23 views

Can't plot correctly precession of perihelion of Mercury in MATLAB using ode45 or ode23

I was trying to plot precession of perihelion of Mercury using matlab. For this I am following a book Computational Physics by Nicholas J. Giordano and Hisao Nakanishi 2nd Edition. In that book ...
6
votes
0answers
111 views

Is a complete bacteria simulation with an exascale supercomputer possible?

Will it be possible to simulate a complete (at least simple) bacteria atom by atom on an exascale supercomputer? or is it possible already today with the largest systems? Here, I've read that ...
19
votes
1answer
2k views

Diagonal update of a symmetric positive definite matrix

$A$ is a $n \times n$ symmetric positive definite (SPD) sparse matrix. $G$ is a sparse diagonal matrix. $n$ is large ($n$ >10000) and the number of nonzeros in the $G$ is usually 100 ~ 1000. $A$ has ...
1
vote
1answer
44 views

Draw contour line to represent multiple contours

I have 5 data sets, each includes multiple scatter points. If I use the geom_path function in R, I could obtain 5 contours like the following graph shows. Those five contours are annotated outlines ...
0
votes
0answers
19 views

Truncated power series algebra implementation

1) I am looking for references for an efficient implementation and usage of TPSA. What sources exist besides Berz's 1989 original paper and the incomplete chapter in Dragt's book? 2) Are there ...
0
votes
0answers
36 views

What precautions should be taken when using 2D Perfectly Matched Layers?

I'm solving linearized Navier-Stokes equations with Perfectly Matched Layers in two spatial directions $x$ and $y$, but in the time-harmonic frequency $\omega$-domain, which is meant to be less ...
2
votes
0answers
29 views

Solving long time averaged chaotic nonlinear equations

I have a modified chaotic equation of the form: $$\frac{\partial u}{\partial t} = - (u+c)\frac{\partial u}{\partial x} - \frac{\partial^2u}{\partial x^2} - \frac{\partial^4u}{\partial x^4}$$ I am ...
13
votes
2answers
3k views

Options for solving ODE systems on GPUs?

I would like to farm out solving systems of ODEs onto GPUs, in a 'trivially parallelisable' setting. For example, doing a sensitivity analysis with 512 different parameter sets. Ideally I want to do ...
2
votes
1answer
60 views

MATLAB's ode45 not dealing with initial conditions well [RESOLVED]

*Concern highlighted in yellow *Solution at bottom I have a differential equation to solve for the motion of an electron: $$ \frac{d^2v}{dt^2} = \frac{1}{\gamma^6}\left( \frac{eE}{\tau m} - \left( \...
1
vote
0answers
19 views

Using nondimensionalization to solve an ode in MATLAB [duplicate]

I am trying to solve an ode that uses some extremely large numbers and some extremely small numbers, namely $$ e = 1.6\times 10^{-19}\\ E = 10^6\\ \tau = 6\times 10^{-24}\\ m = 9.1\times 10^{-31}\\ c ...
2
votes
1answer
26 views

How to store all solutions of an ODE on Matlab for multiple values of a parameter

I would like to solve an ODE for multiple values of the parameter p and most importantly, save all the solutions for all the different values. Till now, I have ...
2
votes
0answers
13 views

What is the correct way to calculate deviatoric stress tensor in lattice Boltzmann method?

Due to my previous question, where I asked about flux calculation in lattice Boltzmann (LB) method here, I have more or less same question for deviatoric stress tensor calculation due to pseudo-...
0
votes
1answer
69 views

How do I get power from gaussian beam numerically?

I would like to get the power from a Gaussian beam given a set of points at which electric field is evaluated. Please follow my reasoning and tell me what assumption maybe are wrong Power definition ...
1
vote
1answer
62 views

Why do not we choose the error solution norm as an iterative method's criterion?

For solving linear system $$ Ax=b, $$ using iterative mehods, we often use the terminate criterion as follows: $$ \frac{\|r_k\|}{\|r_0\|}=\frac{\|b-Ax_k\|}{\|b-Ax_0\|}<eps. $$where $x_0$ is the ...
2
votes
0answers
48 views

What is the fastest algorithm for computing log determinant?

I am diving into some literature to understand which is the best algorithm for computing the log-determinant of a PSD matrix. So far I have found the following two papers: Large-scale Log-...
3
votes
3answers
67 views

CPU usage when a MPI rank waits during a blocking communication

A typical way of dealing with I/O in MPI parallel programs is to either read all data to a single node and dispatch to the other nodes accordingly, or send all data to a single node and write from ...

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