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Questions tagged [computational-physics]

Computational physics is the study and implementation of numerical algorithms to solve problems in physics for which a quantitative theory already exists.

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1answer
65 views

Conservatives in shock tube

We know shock tube problem will give discontinuous solution of primitive variables ($\rho$, $v$, $p$). Will it give discontinuous result in flux terms? $F =[\rho u, \rho u^2 +p, \rho e_v]^T$. I tried ...
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0answers
45 views

Book Recommondation for the time-dependent Schrödinger equation [duplicate]

Can you recommend a good book that discusses several methods for the numerical solution of time-dependent and time-independent Schrödinger equation? I have searched the internet several times but ...
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2answers
324 views

What multibody dynamics softwares exist?

I have used the free, multibody dynamics software MBDyn for a while now. It is a good program and also fits my needs. There are good manuals, basic tutorials and examples to be found. There is also a ...
2
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5answers
605 views

Open source FEM implementation for Windows

I am wondering is there any robust, well-tested, accurate open source FEM solver package for Windows? I would like to use to power the engine of my structural engineering application. The FEM package ...
1
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0answers
63 views

RCWA for Non-Periodic Structure?

I have a quick question regarding Rigorous Coupled Wave Analysis (RCWA) for numerically solving problems (in optics). I am trying to simulate a device which is non-periodic in x, y directions (but is ...
3
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3answers
1k views

Understanding Finite-Element Modal Analysis

I am teaching a basic course on computational physics and for the last part of the course I will introduce freshman physics undergraduates to finite-element modelling methods. I am preparing a COMSOL ...
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1answer
130 views

How to determine the truncation error with products and quotients

If I have an equation given by $$\displaystyle Y = \frac{a^2}{d^2}\frac{(1-c^2\frac{c}{a})}{(1-b^2)}$$ and I expand $a,b,c,d$ in a Taylor series, where $a$ is truncated at the $A^{th}$ order, $b$ is ...
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1answer
1k views

Solving Time dependent Schrodinger equation using MATLAB ode45 [closed]

The Schrodinger equation for time-dependent Hamiltonian is $$i\hbar\frac{d}{dt}\psi(t) = H(t)\psi(t) \, .$$ I try to implement solve the Schrodinger equation for time-dependent Hamiltonian in ODE ...
2
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1answer
497 views

Defining Cauchy principal value in MATLAB (or Scilab/Maple)?

How to define a variable which is an integral involving cauchy principal value inside in any computer programming language? I want to know how to break down the procedure step by step from a ...
1
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1answer
414 views

Implementing velocity verlet for harmonic oscillator in C gives error wrt conservation of energy

I'm attempting to implement velocity Verlet with a harmonic oscillator in C, but I have some errors: Energy is not being conserved Energy oscillates much more than I would expect I believe the error ...
2
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1answer
120 views

How does Multi Body Dynamics software work for flexible joints?

I need to model a "fishing rod" in 2 dimensions by joining several "rigid sticks" by flexible/elastic joints. The joints act as plate/torsion springs with different spring constants. The "fishing rod" ...
2
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0answers
193 views

Solving a 3D (almost radial) convolution with FFT

I have a 3D integral that is almost a radial convolution of the form $$ \int d^{3}k'h(\mathbf{k'})g(|\mathbf{k-k'}|) $$ and I am looking for a fast and efficient algorithm (e.g. FFT) to solve it ...
4
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3answers
108 views

Mixing some particles together - “Game physics for engineers”?

I'd like to simulate how several particles mix together. For example, how do they settle when you throw them in a bucket? How do they assemble in zero-gravity? I might also want that they are "sticky" ...
4
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0answers
52 views

Phase dislocations and numerical accuracy

I am solving the nonlinear Schrodinger equation (NLSE), $$A_t+iA_{xx}+i|A|^2A=0$$ where $A$ is a complex valued function, which can be written as $A=ae^{i\theta}$ for $a,\theta$ real. Now, for ...
2
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0answers
125 views

Solving Schrodinger's Equation Numerically in a Bunimovich Stadium

I need to solve, as mentioned, Schrodinger's equation in a Bunimovich stadium-shaped infinite potential well with Dirichlet BC Numerically (this isn't possible analytically). In order to do so, I need ...
2
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1answer
441 views

Second order interpolation scheme

On a grid I am having the values of a physical quantity say for example Temperature, at the E,W,N,S and P node all of them being calculated using a second order discretization scheme. I want a second ...
1
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1answer
79 views

Convergence Criteria for Two Fluid Flow Solver

Which one of the following is suitable for judging convergence in Two-Fluid Flow Solver? 1) Absolute Residual (L^2-Norm). 2) Relative Residual. 3) Fraction Change in Velocity, Pressure and Volume ...
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1answer
275 views

Solving a linear system whose matrix has imbalanced diagonal entries

I am trying to solve following set of equations: A(i,i-2)*u(i-2) + A(i,i-1)*u(i-1) + (A(i,i)+β(i) )*u(i) + A(i,i+1)*u(i+1) + A(i,i+2)*u(i+2)= B(i) + β(i) where i=1:1000000 If values of β varies(...
3
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2answers
225 views

How to Solve an Integral Equation for an Unknown Integrand numericlaly?

I am working on an astrophysical research in which we relate the cumulative number of Damped Lyman Alpha HI clouds/galaxies, namely their number densities, $\frac{dN_{DLA}}{dz}(>M, z=0),$ to the ...
2
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3answers
137 views

combination of field and particle methods for fluid dynamics

In numerical fluid dynamics there are field methods like finite-volume, finite-element, etc. and particle methods like Smoothed-Particle-Hydrodynamics – SPH and others. Both approaches have advantages ...
4
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1answer
1k views

What determines the usual chemistry textbook plots of atom orbitals?

In elementary chemistry textbooks you often have pictures like the following one: Are there any conventions how to get them? I am not sure, but I guess that it are contour plots with only one iso-...
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2answers
729 views

How to implement Newton method in solving 1D PDE system? (ie. Poisson eq, continuity eq, drift-diffusion eq.)

I want to solve PDE system, which consists of Poisson equation, continuity equations for electron and hole with drift-diffusion equation numerically, by using method called Newton's method. This ...
4
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1answer
547 views

Help with Fourier beam propagation method

I am working on implementing the Fourier beam propagation method in C++. I am really more of a programmer than a physicist but I think I have a good understanding of what I am trying to do. Here is ...
1
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0answers
83 views

Representing a 3D system in 2D (Electromagnetic modelling)

Ok so I'm a complete beginner in computational modelling (I use analytical methods of physics typically) but I would like to model an anisotropic, aperiodic (but not random) finite array of metallic ...
3
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0answers
58 views

Numerical Euler Rotation Equation

The problem I have may be really simple, but still getting a hard time solving it. So I have the Euler rotation equations: $$I_{1}\dot{\omega}_{1}+\left(I_{3}-I_{2}\right)\omega_{2}\omega_{3}=\...
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3answers
837 views

Simple Simulation Examples in Computational Fluid Dynamics

I would like to incorporate a CFD topic in a project I currently have. The deadline is a little less than a month from now. Basically, what I would like to do is solve some equations and simulate ...
2
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3answers
456 views

Algorithm suggestion for PDE - example: heat equation

I want to solve the PDE equation numerically. For this, I started my study with something simple; heat equation $$ \frac{\partial u}{\partial t}=\frac{\partial^2 u}{\partial^2 x} $$ with the initial ...
2
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1answer
397 views

Is the Finite Volume Method conservative when the source term depends on the variable?

I trying to do a simulation where there are two quantities, $\Delta\theta(x,t) = \theta(x,t) - \theta_{o}$ and $\Delta\nu(x,t) = \nu(x,t) - \nu_{o}$. These quantities are chemical concentrations ...
0
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1answer
88 views

Indexing Nested Loops in C [closed]

I am having trouble indexing correctly the below statement in C inside a function and then returning it as a pointer. The returning part should not be confusing - hopefully - however the indexing is a ...
2
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1answer
98 views

Monte Carlo Metropolis method - trial step algorithm

I'm working on a Magnetization simulation and writing an algorithm using the metropolis method. I am using a change in energy and a Boltzmann distribution, but, my question is about the trial step. ...
7
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1answer
423 views

Solving a simple Schroedinger equation with Fast Fourier Transforms

While trying to solve a stochastic Gross-Piaevskii equation I have found a problem that can be tracked down to something buggy occuring in the simplest Schrodinger equation possible: $\partial_t \psi ...
0
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1answer
413 views

The condition for stability using the leapfrog method

I have the ODE below $$\frac{d}{dt}\pmatrix{x\\ y} = \pmatrix{0 &1\\-a &0}\pmatrix{x\\ y} \enspace .$$ The $m=1$ leapfrog method is defined as: $$y_{n+1} = y_{n-1} + 2f_nh \enspace .$$ For ...
1
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1answer
441 views

Shooting method - Matlab ODE

I'm trying to solve these equations of hypersonic adiabatic flow over a flat plate. I did all the simplifications and got these equations for the stagnation point flow. $$\left(Cf''\right)' + f f'' = \...
1
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0answers
428 views

Is this the correct way to calculate the Madelung constant?

I'm trying to compute the Madelung constant of the ZnS lattice. The method is as follows: The lattice is a face-centered-cubic with basis $S^-: (0,0,0)$ and $Zn^+: (1/4,1/4,1/4)$. The Madelung ...
3
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1answer
441 views

ground state from the Schroedinger equation with a central potential what happens to the origin

I have code that attempts to implement a solution to the Schrödinger equation where there is a central potential (more or less im thinking of hydrogen), in 1-D using the numerov method to construct ...
7
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0answers
456 views

DIIS method to accelerate SCF convergence for stretched geometries

I am implementing from scratch an Hartree-Fock calculation in the STO-3G basis set to perform Born-Oppenheimer molecular dynamics. I have a Restricted Hartree-Fock procedure that can reproduce very ...
4
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1answer
308 views

Fast Multipole Method in 3D

I am writing a FMM (Fast Multipole Method) algorithm in 3D. I generated the mesh and, currently, I am developing the expansion and the three (M2M, M2L, L2L) translation operators using spherical ...
3
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1answer
347 views

Efficient Implementation of Taylor Series for Sine

I am trying out a few forms of polynomial expression optimization, and I'd like to improve of what I've got, if anyone has anything they know is better. Implementation 1: $$x-\frac{x^3}{3!}+\frac{x^...
2
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2answers
352 views

2d Euler manufactured solutions

Where can I find manufactured solutions for the 2d Euler equations, with the complete analytical terms, including the Jacobian of the source term ?
3
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0answers
51 views

Coupled Diff Equation from Bose Einstein distribution

I am a student doing physics hons and have had very little experience in programming. This semester we are supposed to do a computational project in thermodynamics. I have to solve these two coupled ...
1
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2answers
89 views

Propagation of error using Euler's first order method [duplicate]

I was estimating a falling object's position versus time by using a simple first order step function, where ...
3
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1answer
381 views

How to model the mixing of two fluids in a container?

In the context of a research project of mine, I am faced with the difficult task of modeling the mixing of two fluids in a container. I would like to achieve the following: Given a container (...
1
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0answers
86 views

Time dependent self-consistent equations

I am facing the following problem. I need to solve numerically a set of coupled equations $$i\frac{d}{dt}f_{n}^{(i)}(t) = \left[U\cdot n(n-1) + \mu\cdot n\right]f_{n}^{(i)}(t) - \sqrt{n+1}\Phi_i^{*}\...
1
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0answers
787 views

BiCopter simulation in Matlab

I derived a bicopter dynamical model with two servos and two BLDC motors. And now am trying to simulate it using Matlab. As base for simulation I used this paper and this code Unfortunately, the ...
6
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2answers
3k views

Calculating the log-determinant of a large sparse matrix

I need to calculate $\log(\det (\mathbf M_i))$ where the $\mathbf M_i$'s are large sparse matrices, which are real, symmetric and positive semi-definite. I hope to have between $10$ and $100$ of ...
2
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0answers
261 views

Implementation of no-slip boundary conditions in lattice Boltzmann method fluid simulation

My faculty advisor recommended that I take a look at the lattice Boltzmann method as an introduction to scientific computing and potentially an undergraduate honors thesis topic. I cooked up a some ...
2
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1answer
312 views

I need to scale variables to solve a 2D PDE. What are the physical considerations of scaling?

I am solving a boundary value problem in 2D via an implicit finite difference scheme. Unfortunately, although the problem is well-posed and should have a unique solution, the condition number of the ...
2
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0answers
69 views

Method for calculating the stopping distance using only integers

I am trying to find how much an engine would turn until it stops accelerating with an acceleration of $a = A \sin^2(x)$. Acceleration Integrating the acceleration I get velocity $v = A(x/2 - \sin(...
3
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1answer
269 views

Finite Difference Beam Propagation Method problem

I am trying to implement the finite difference beam propagation method to study the propagation of a TE light signal through a waveguide. However, my solutions are exponentially growing, and display ...
1
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0answers
74 views

fixed point iteration to find out second order non-linear diff equations

I am working on some model analysis, getting two diff equations and after I convert them into matrix form, I have equations looks like $$ [A][X]=C\times\big(\exp([B][X])-1\big), $$ where $C$ is a ...