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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51 views

Anisotropic invariant expansion

I am trying to calculate the second and third invariants for a turbulent flow. I have the second order statistics (both transient and averaged). i.e $uu$, $vv$, $ww$, $uv$, $vw$ and $uw$. These are ...
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1answer
96 views

For a determined (known) Space charge density, what are the conditions to obtain the Electric potential/field distribution? (COMSOL, MATLAB)

Theoretic part From the theory, in Electrostatics inside a real dielectric material between real conductors, in a simple 1D plane geometry between points $P1$ and $P2$, according to the current ...
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1answer
66 views

Manual for library Libxc

Where can I find the manual for software library Libxc for exchange-correlation functionals? Links with domain www.tddft.org don't work.
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52 views

Should the derivative of an array be calculated array by array or element by element in CFD codes?

I am making my own finite difference computational magnetohydrodynamic code in Fortran 90. Looking at other codes they appear to calculate for example their $x$-derivatives, bb of their variables, e.g....
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60 views

Loss of energy when using Roe Solver for solving onedimensional Shallow Water Equations

I have written a Roe solver with Harten entropy fix code in Matlab to numerically solve the one-dimensional Shallow Water Equations. : \begin{eqnarray} \dfrac{\partial h(x,t)}{\partial t} + \dfrac{\...
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1answer
328 views

Can we simulate rigid body motion using finite element analysis?

I was wondering if we could model rigid body motion of bodies using finite element models. Particularly I'm interested to know if we can model motion of objects with no constraints or with some ...
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1answer
72 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 $\...
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1answer
561 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 ...
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2answers
159 views

Discussing the energy spectrum of Langevin Dynamics simulation of many atoms

UPDATED I've coded a multiparticle MD simulation in 3D. It is based on Langevin Dynamics, with random impulse and dissipation. I think the program works correctly now? I have attached the plots of ...
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143 views

Computational Physics: Finding the Diffusion Coefficient from the Discretized Diffusion Equation

I'm pretty new to translating simulation to reality so please forgive the perhaps naive approach I'm taking here. If we have a (quasi-2D) experimental video of a certain concentration changing with ...
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1answer
109 views

Finding the lowest $n$ eigenvalues of a band-diagonal Matrix

I have a real sparse matrix of the form $$ \left( \begin{array}{ccc} h_{11} & h_{12} & 0 & h_{14} & & & \\ h_{21} & h_{22} & h_{23} & 0 & h_{25} & & ...
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352 views

Difficult bug in my 2D Compressible Euler solver

For the past few days, I have been writing a numerical solver for the 2D compressible Euler equations for an ideal gas. My numerical method has been the Local Lax Friedrichs or "Rusanov's method." ...
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133 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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81 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(...
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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 ...
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1answer
96 views

How to calculate collision force with no future knowledge

For a personal project, I am attempting to write a fairly realistic collision simulator (for relatively large objects, not quantum stuff). As I was consulting my physics textbook and various online ...
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1answer
151 views

Trigonometric equation (Lagrange) for the double pendulum [closed]

I want to model a fishing rod and received a suggestion. I therefore try to follow the mathematics (Lagrange) of the double pendulum. I do not understand how to proceed in the step that Wikipedia ...
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1answer
170 views

Is it possible to simulate fluid dynamics in a time-based and deterministic manner?

The Problem Domain I have a number of network-connected PCs. I want to be able to simulate and replicate the same simple fluid dynamics simulation (E.g. Navier-Stokes), in real-time, between them. ...
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1answer
523 views

How does Abaqus calculate Hill's function for non-rectangular coordinate systems?

Within the manual, the effective/von Mises stress or Hill's potential for anisotropic bodies is calculated in Abaqus in cartesian rectangular coordinates as $\sigma_{eff}=\sqrt{I_{1}^{2}-3I_{2}} \\ f(...
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52 views

Radial Hartree and exchange-correlation potentials

According to [1] the one-dimensional Kohn-Sham equation is given by $$ \left( -\frac{1}{2} \frac{d^2}{dr^2} + \frac{l(l+1)}{2r^2} + V[\rho;r]\right) rR_{nl}(r) = \varepsilon_{nl} rR_{nl}(r) $$ where $$...
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35 views

How to avoid density getting “deleted” in two way rigid body coupling with LBM CFD?

I've been reading this paper recently, which talks about using Lattice Boltzmann methods and two way coupling. Specifically, it outlines fluid solid coupling, and solid fluid coupling, and how simply ...
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52 views

Using MATLAB to simulate the Ising Model

I am using MATLAB to simulate a 1D Ising Chain. I am running into an issue where when trying to find heat capacity, my system has a tremendous amount of noise. I'll post my code and an image of the ...
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0answers
34 views

Pseudospectral method for Rayleigh-Benard with constant temperature gradient

$$ \nabla\cdot \mathbf{u} = 0 \\ \frac{\partial \mathbf{u}}{\partial t}+\left(\mathbf{u}\cdot \nabla\right)\mathbf{u} = -\nabla p+\nu\nabla^2\mathbf{u}+\alpha g\theta\mathbf{e}_z\\ \frac{\partial\...
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0answers
77 views

Solved : Damped spring-mass system, wrong position, correct speed and acceleration

I am modulating a spring-mass system with gravitation and aero drag, with python programming. The spring is hanging vertically and attached a weight. The user then selects a length to drag it down ...
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33 views

Why does the correlation function of this stochastic differential equation starts at different points?

I am working with the following differential equation: The equation is $$x=\beta +\sqrt{2D} \xi(t)$$ where $\xi(t)$ is a white noise term, with a reflecting wall boundary conditions. After solving ...
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1answer
55 views

How to obtain and form a 1st order differential equation for leapfrog integration from second order one in this example of coulomb drag

I am currently doing a computational physics homework which asked us to use leapfrog to give the relations between timevelocities and time-distance of these two objects. The full question is as ...
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36 views

How to numerically calculate the transition dipole integral in periodic systems?

Now I have wave functions $\psi_a$ and $\psi_b$ of two states in Gaussian CUBE format. I'd like to evaluate the transition dipole moment integral $\pmb\mu$ between these two states. As my simulation ...
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86 views

Grid Data Interpolation

What are the most sophisticated methods for interpolating a scalar field say Electric or Magnetic Field on a 3-D grid? I have scalar data on a meshgrid with equal spacing. I would like to use an ...
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99 views

How to simulate water, falling under gravity, and impinging on a curved surface, which is kept/present in a domain, containing air?

TL;DR: How do I simulate a hole, at the bottom of a (full) water tank? I am attempting to simulate water, flowing out of a hole/slit, at the bottom of a tank (Water Domain) (under the influence of ...
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39 views

Numerically solving a system of parabolic PDEs and 1st order ODEs

I'm trying to solve the following system of differential equations numerically. What are the available finite difference approaches and matlab solvers to solve such a system? Other approaches to solve ...
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569 views

Which solvers for BVP in python are the best? Is there something better that scipy.integrate.solve_bvp?

I am trying to solve a boundary value problem with Python. I have been using scipy.integrate.solve_bvp but the result that it is giving me is completely wrong. Basically my code is as follows: ...
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35 views

How to numerically transform a 2D Fourier spectrum with arbitrary frequency shift to center frequency?

Suppose $F(u,v)$ is the center frequency Fourier representation of some $f(x,y)$ in 2D. $$ f(x,y)=\int\limits_{-\infty}^{\infty}\int\limits_{-\infty}^{\infty}F(u,v)e^{2\pi i (xu+yv)}dudv $$ In ...
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105 views

Finite difference methods for coupled 2nd order nonlinear pdes

I have a system of coupled nonlinear PDEs that I cannot figure out how to solve in a smart way using FDM, so I was hoping someone here might have a clue. The equations go as: \begin{align*} \frac{1}{...
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49 views

Jacobian Elements for Coupled Drift-Diffusion System using Vertex-Centered Finite Volume

I'm trying to solve the fully coupled drift-diffusion system using Newton's Method. Although I eventually plan to potentially use a Jacobian-Free Newton-Krylov approach, this is still something that I ...
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42 views

Huge accelerations in plasma simulation

I'm trying to make a numerical simulation of pulsar magnetosphere using FDTD on a log-spherical Yee lattice for fields and PIC for plasma particles. Field part is working like charm but issue arises ...
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100 views

Band structure of nonlinear Schrodinger equation with one dimensional potential

I have a nonlinear Schrodinger equation which reads: $$ \frac{1}{2} \frac{d^2u}{dx^2}+ |u|^2u + V(x)u = -i \frac{du}{dz},$$ where $V(x)=\cos(wx)+ i a \sin(wx)$ and $w$, $a$ are numbers. How to ...
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139 views

Solving complicated coupled ODE using RK4/ODE45 in Matlab

I have the following coupled differential equations also known as Guiding Center Approximation. It is used to explain the position- and velocity change of particles (electrons and protons, N = 1000) ...
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74 views

Numerical scheme to solve Maxwell equations with fixed potential boundaries?

We have a 2D electromagnetic field (in the sense that: $E=(E_x,E_y,0)$, $B=(0,0,B_z)$, and all derivatives with respect to $z$ are $0$), and we are considering a system made up of two walls at $x=-b$ ...
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117 views

Matrix exponential by eigenvectors - implementation issues

I posted a similar question yesterday but I deleted it since I think that I had to reformulate it after some insights. I want to calculate $$ \exp(-i\Delta t\,\mathcal{H}) = V\,\mathrm{diag}(\{\exp(-...
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60 views

Dealing with simultaneous collisions in N-body sim

I have written an 2d N-body simulation in Python which allows collisions between the bodies. A body is modeled as a circle whose area is proportional to its mass. Each time the sim advances by one ...
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482 views

One Dimensional Schrodinger's Equation solution using Numerov Method

I have been trying to solve Time Independent Schrodinger's equation in one dimension using Numerov Method as discussed in this excellent lecture notes I found on net. The Numerov method can solve an ...
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152 views

Second Quantization in Matlab

This question may be more suited for physics.stackexchange, but I saw this post was recommended for StackOverflow or Computational Science, so I'm asking my question here. I am trying to write a ...
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82 views

Finite difference scheme for unconfined aquifer equation

For an unconfined aquifer we have this PDE for the water table position( of course after somehow making the original Boussinesq equation linearized ): $$ \frac{\partial^2(h^2)}{\partial x^2} + \frac{\...
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237 views

Double Integrating acceleration data to obtain position: 2 Problems

I have a data sample from an accelerometer from my phone (pretty bad accelerometer though). I'm trying to double integrate it in order to obtain the position as a function of time. I'm using a program ...
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113 views

Strange solutions using Finite Element Analysis

I've implemented the Finite Element Method to model the heat transfer between two different materials where one material is surrounded by the other. When I run the model I'm getting some strange ...
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1answer
304 views

1-D turbulent energy spectra in homogeneous direction (non-isotropic)

I am trying to compute the one-dimensional energy spectra for my channel-flow simulation. I have already written a post-processing script to achieve this; however, I need to validate my code before ...
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52 views

Parallelizing molecular simulation with full configuration energy

First, let just me stress that I'm not a an expert in computation chemistry, so now the problem: We have GCMC molecular simulation, in the Grand Canonical ensemble, using the standard metropolis ...
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1answer
105 views

triple cross prouct of tensor

Im trying to compute a triple cross product of vectors a,b, and c in real space and integrate over the entire space. The result is a term in the hamiltonian for an electronic system so there are ...
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227 views

Physics of explosions: just vorticity?

eg 1 2. Is it just vorticity? What's actually happening? (Similar: steam engines, volcanoes, clouds). examples are grid-based, using "vorticity confinement" in Phoenix FD. EDIT Some techniques: "...