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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Heisenberg Model python : Specific heat capacity for spin 2

I have the correct plot for specific heat capacity when I am using the formula which is $C_V$ = differentiation of entropy with respect to temperature. However, When I try to calculate $C_V$, by using ...
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30 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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31 views

What is the best methodology for physics simulators of large floating base rigid body systems?

I want to implement a physics simulator for large floating base rigid body systems from scratch. The Rigid Body Dynamics Systems (RBD) should typically have the following characteristics: About ~50 ...
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1answer
77 views

Problem concerning a part of a simulation for the Ising Model

I was wondering if anyone could help me with a simulation in Python (there is a small part of the code where I have a question) about the Ising model. First, I wanted to get the magnetization $M$ ...
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46 views

Simulate friction arround steady-state point

When simulating a friction dynamic system, I have come to a problem when approaching steady-state. In the example below, a box moves along a surface with a certain friction coefficient: ...
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1answer
72 views

Computer build for scientific or big data computing [closed]

I'm wanting to build a computer for scientific or big data computing (Python, Fortran, Matlab) and I was hoping to get some advice on the type of processor, memory, graphics, etc I would need. I ...
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1answer
30 views

How to implement the Impulse Based Dynamics for the rigid body dynamics simulation?

I am having hard time learning the method of impulse based dynamics developed by Mirtich for rigid body dynamics simulation. Please help me out if any body has any example code(algorithm) of it. ...
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1answer
59 views

Langevin equation in 4th order Runge-Kutta

I'm trying to figure out how to translate a piece of code from Velocity Verlet to Runge-Kutta, while treating the time step dependence of the thermal noise correctly. The Langevin equation for my ...
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26 views

A preconditioner for self-consistent iteration

I tried to derive a preconditioner for self-consistent iteration similar to section IX in arXiv:0804.2583. For simplicity, consider here only one orbital (one or two electrons) systems. Suppose that ...
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57 views

Computing a double Integral using two Riemann sums & graphing multiple isosurfaces

I'm trying to compute the potential and electric field of a uniformly charged spherical shell and plot the results in the space outside the shell using MATLAB. I've tried everything from for loops to ...
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68 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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1answer
96 views

Doubt about Python code for calculation of Energy Conditions in General Relativity

In General Relativity, one possible way to decide if a space-time [i.e. a Lorentzian Manifold $(\mathcal{M}, \textbf{g})$ where $\textbf{g}$ is an arbitrary metric tensor.] is a "resonable physical" $[...
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How can I implement the Invaded Cluster Algorithm for a network of Ising spins?

My primary concern is about finding the percolating cluster for any given network. For a lattice it is straight forward : When the size of a cluster reaches the length of the lattice, then it is said ...
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1answer
36 views

How to do Weierstrass-transform in MATLAB?

I have a diagonalization problem. I have the eigenstates correctly, and I want to do a Gaussian-smearing (Weierstrass-transform) on them. So I have the wave functions ($\Psi$), and the continuous ...
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10 views

Compute cell values and isosurface constant from density values of particles

I am trying to reconstruct the surface for a fluid simulation based on a list of particles using the Marching Cubes algorithm. From different resources, such as http://paulbourke.net/geometry/...
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16answers
9k views

Good examples of “two is easy, three is hard” in computational sciences

I recently encountered a formulation of the meta-phenomenon: "two is easy, three is hard" (phrased this way by Federico Poloni), which can be described, as follows: When a certain problem is ...
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74 views

Double mach reflection at a inclined wedge

I am running into a strange problem when solving the 2D compressible Euler equations on a inclined wedge. To elaborate, my top boundary condition seems to emitting some type of instability. I have ...
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1answer
55 views

Simulating magnetic particles in a field free point generated by two opposing magnets

This is probably a long shot with such a short time, but I've been trying to get theoretical data for a project I'm working on. The project involves using a very simplified version of magnetic ...
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29 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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39 views

Time sampling changes solution

I'm currently trying to solve a problem using numerical methods. The set-up is rather long, so I apologize in advance... TL;DR: My solutions change depending on how big my steps are and I don't know ...
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1answer
39 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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0answers
33 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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1answer
68 views

Stability of PDEs

I am currently trying to solve some PDEs with FiPy. At page 56, the manual mentions (https://www.ctcms.nist.gov/fipy/download/fipy-3.0.pdf). The largest stable timestep that can be taken for this ...
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29 views

3D Tollmien-Schlichting Waves Imposed in a Channel Flow (Are Physics correct?, etc)

So I am trying to do some further tests on a 2nd-order code Incompressible Navier Stokes equations, by studying transition to turbulence in a Poiseuille flow. Specifically, I'm interested to see ...
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2answers
86 views

Overrelaxation with w < 0

Are there any circumstances under which using a value $w < 0$ would help us find a solution in over-relaxation faster than we can with the ordinary relaxation method? Over Relaxation Method: $$x'=...
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0answers
80 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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2answers
111 views

Finite volume discretization of non-conservative linear hyperbolic equation

Problem. Consider the one-dimensional adjoint Euler equations for $(x,t) \in \Omega \times [0,T]$ with $\Omega \subset \mathbb{R}$ and $T > 0$ $$ \varphi_t + \Big(\frac{\mathrm{d}F}{\mathrm{d} U}(x)...
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1answer
126 views

Do there exist “frameworks” as to how computational scientific experiments claim validity? Scientific method for computed science?

Do there exist "frameworks" as to how computational scientific experiments claim validity? Like "scientific method for computed science"?
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31 views

Compute a Boltzman partition function

I'm trying to calculate total energy of a system $$ E(v, h) = -\sum a_iv_i - \sum b_jh_j - \sum_{i,j} v_ih_jw_{ij} $$ Python equivalent looks like this ...
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1answer
42 views

ISING2D with Mathematica. Searching a correct way to compute the heat capacity (mean values over several iterations)

I'm trying compute the heat capacity $C_v$ out of my simulation for the 2D-Ising model which is given by $C_v = \frac{\langle E^2 \rangle - \langle E \rangle^2}{T^2N^2}$ ($E$: Energy, $T$: ...
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0answers
39 views

Determining the pseudo-time period of a system of $n$-pendulums via Kane's method in Python

We can use Kane's method to integrate the equations of motion for a system of $n$ pendulums with arbitrary masses and lengths (see derivation). In particular, if $(x_i,y_i)$ denotes the Cartesian ...
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0answers
92 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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1answer
96 views

coupled equations with finite difference method

I have these three differential equations in which I need to solve numerically: $$ \frac{dn_0}{dt}= -n_0(t)W_{01}(t) + n_1(t)K_{10} $$ $$ \frac{dn_1}{dt}= -n_1(t)W_{12}(t) - n_1(t)K_{10} + n_2(t)K_{...
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1answer
66 views

Mass matrix and BDF time integration

I have a system of nonlinear equations on the general form: \begin{align} \mathbf{M}(\bar{y})\dot{\bar{y}} =\bar{f}(\bar{y},t) \end{align} Where $\mathbf{M}(\bar{y})$ is a matrix and $\bar{f}$ is a ...
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0answers
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 ...
3
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2answers
342 views

How to simulate basic semiconductor models using the Drift-diffusion model on Python?

I'm trying to simulate basic semiconductor models for pedagogical purposes--starting from the Drift-diffusion model. Although I don't want to use an off-the-shelf semiconductor simulator--I'll be ...
2
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1answer
89 views

Numerically solving a partial differential equation

I am trying to numerically solve the following PDE, $$\frac{\partial u^A}{\partial t} = c_1\frac{\partial^2 u^A}{\partial^2x} \,,$$ where $c_1$ is a constant. The above can be discretized using the ...
3
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2answers
100 views

Computational cost comparison of DNS and SPH

I may be incorrect, but it seems like commercial graphics codes typically use smoothed particle hydrodynamics (SPH) to produce stunning simulations and not continuum based methods. Why is this? Is SPH ...
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2answers
73 views

Guaranteed equality between binary results with increasing MPI processes

Testing on an MPI scientific code for compressible flow dynamics I noticed that the results may depend on the number of processors used for the calculation. In fact, comparing the binary files they ...
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1answer
245 views

Putting N hard spheres randomly in given volume

I need to put $N$ spheres with given radius $R$ randomly in a Volume $[-0.5,0.5]^3$, without any overlap of spheres. If I choose values so that all the spheres will occupy ~57% of the total volume, I ...
3
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0answers
56 views

Should I expect computational gains using a second-order splitting method here?

I am trying to solve a three-dimensional baroclinic transport problem. The hydrodynamic (three-dimensional shallow water) equations are: \begin{align} \nabla \cdot \vec{v} = 0, \tag{1} \\ \frac{\...
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2answers
64 views

How to calculate $g_r$ when using the cell method algorithm

I have a self-written MD code in C++. I am simulating atoms using the Langevin dynamics model. I use the linked-cell method to speed up the simulation; as a result, atomic interactions are only ...
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1answer
42 views

What are the things I should keep in mind before doing an analysis of my gromacs simulation?

I did a liquid argon simulation at 100k. I forgot during analysis that I need to accommodate for the Periodic Boundary Conditions before doing any analysis which included distance. What are other such ...
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1answer
44 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
219 views

Solving Schrodinger equation numerically

Here is the Schrodinger equation that is to be solved: A 1D hard wall potential in $[0, 1]$. The potential within the potential well is given by a linear combination of Gaussian dips $$v(x) = - \...
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1answer
166 views

Poincare map for Arnold-Beltrami-Childress Magnetic Field in Python

I want to plot the Poincare map for Arnold-Beltrami-Childress magnetic field for parameters $A=1, B=0.816, C=0.5773$ in Python for the Poincare section $z=0$. Also, I am not able to understand what ...
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1answer
105 views

Artificial neural networks for Temperature prediction

Imagine I want to consider the temperature for a process given several input varibales. The temperature can be anywhere between 400 and 500 K. Consider I have experimental data to train the network ...
4
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1answer
71 views

Symplectic Algorithms for Hamilton’s Equations as opposed to just Volume-Preserving

this might be a silly question, but if we’re trying to numerically solve Hamilton’s equations with some discrete scheme, sometimes when the scheme preserves phase space volume (Hamilton’s eqns are ...
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0answers
396 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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0answers
33 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 ...