Subdiscipline of theoretical physics which consists in the study of physics problems using numerical algorithms. PLEASE NOTE that questions about computational methods and/or programming are OFF-TOPIC on Physics.SE.

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Molecular Dynamics simulation question

In molecular dynamics simulations you apply and solve Newton’s equations of motion for a set of atoms to obtain real dynamical information on how individual atomic positions change as a function of ...
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23 views

Data transmission in optical fibers

Im reading though my Network Architecture lecture notes and it states optical fibers need a repeater every >10km. Repeaters are used to amplify digital signals but the notes do not explain or state ...
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300 views

Determing Velocity of Moons

I have a question that I believe is relatively easy to answer, I am working on an $N$-body simulation of a fictional star system and am having trouble finding the velocity of moons so that they will ...
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18 views

How do I simulate an astrophysical object with a software? [on hold]

I am a high school student who seek to find a fun extracurricular thing to do. I am interested in astrophysics and I want to simulate some astrophysical objects with computer software. Can I get some ...
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2answers
60 views

Which timestep should I use for a $N$-body simulation of the Solar system?

I am trying to implement a $N$-body simulation of the Solar system and I am stuck on the issue of the simulation timestep size. At first I would like to use a simple Euler stepping scheme. Knowing ...
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70 views

What is the BG Equation?

About 45 years ago or so I was a Physics department staff computer programmer when I was a physics major undergrad. I worked with a professor doing research on nuclear shell models -- he was ...
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35 views

How are boundary consitions implemented correctly in time dependent hydrodynamics?

I posted this question more than one year ago and got an answer recently. This answer looks good to me, but indicates that something is wrong in my original approach to the problem. Can someone tell ...
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2answers
125 views

Numerical Tools to find Braiding Statistics of Quasiparticles

While certain classes of systems that exhibit topological order can be solved exactly (such as the Toric Code, Abelian FQH Edges, etc.) there also exist systems (think of perturbed versions of the ...
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1answer
54 views

Collision between a “spring” and a particle

I am currently attempting to create a simple 2D physics engine, and I just need to know how to solve a certain collision. I have particles, and between any two particles, springs can be connected. ...
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1answer
140 views

How does the Lennard Jones Potential changes for interaction between particles of different sizes?

I am interested in incorporating a Lennard-Jones potential in a simulation. When the interaction only involves the same type of particle, with same characteristics, we can use reduced units, scaling ...
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201 views

Tight binding Hamiltonian for 2D finite dimensional lattice and nanowire

The Hamiltonian of a 1D lattice having finite $N$ atoms, (if we consider one basis per atom) is given by the following $N\times N$ matrix- Here $E$ is the onsite energy and $t$ is the hopping ...
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How to calculate the string order parameter (for Haldane phase) in density matrix renormalization group?

The ground state of the spin-1 chain is the Haldane phase, which is known to be a symmetry protected topological phase and cannot be detected by conventional order parameter (beyond the ...
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21 views

How Periodic Boundary Condition (PBC) is related to Band Structure of Quantum Dot?

I am reading about relationship between different lattices and their band structures.I have few questions about them: Q 1. Is is possible to find out band structure of a quantum dot (which is a ...
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108 views

Using the Fourier transform to find the natural frequencies of coupled oscillators

How can I find the natural frequencies of a system consisting of a pair of coupled oscillators using Fourier transforms? The System consists of two masses and three springs. One of the springs ...
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18 views

Master curve of the 3D Ising model

I am currently doing some grand canonical Monte Carlo simulations for LJ particles and my professor has asked me to map the normalized probability distribution of density on to a master curve of the ...
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2answers
224 views

In a Monte Carlo NVT simulation How do I determine equilibration

I'm running an NVT (constant number of particles, volume and temperature) Monte Carlo simulation (Metropolis algorithm) of particles in two dimensions interacting via Lennard-Jonse potential ($U = ...
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25 views

Mixed Neumann/Dirichlet BCs in Poisson-Schrodinger self-consistent solver

I'm currently in the process of writing a self-consistent Schrodinger-Poisson solver for a device heterstructure (High Mobility Electron Transistor). I am having a few difficulties however. It seems ...
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1answer
249 views

Position based dynamics constraint scaling factor

Reading through Müller et al., Position Based Dynamics, 2007 I got lost when passing from equation (5) $$\Delta p = \frac{C(p)}{|\nabla_pC(p)|^2}\nabla_pC(p)$$ to equation (6) (and applying the ...
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Partial Derivative in FeynCalc [migrated]

I try to compute some loop diagram in mathematica with FeynCalc package. In the nominator, I have a huge trace and it shows the right solution but in the next step I need to find the solution of a ...
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1answer
299 views

Exact diagonalization to resolve ground state degeneracies

I am studying a perturbed Toric Code model that is not analytically solvable. On a torus the ground state degeneracy of the unperturbed model is 4. Once we turn on the perturbation there is a change ...
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1answer
70 views

Finite Difference Method (FDM) solution to heat equation in material having two different conductivity

I am not from a mechanical engineering background and I have not taken any courses in PDE so this may seem trivial for many. and I am writing a Matlab code with the objective to solve for the ...
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11 views

Computing the dynamics with a bilateral constraint in position

Let's says I have a dynamical system of generalized coordinates $x$, subject to a bilateral constraint $g(x(t),t)=x_1(t)-d(t)=0$ where $d$ is a prescribed displacement. I am looking for the ...
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1answer
39 views

Laser resonator modes

For a resonator, plot the intensity as a function of time for (i) when the modes have identical phases, and (ii) when the modes have random phases. Attempt Here is the equation for intensity (p. ...
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268 views

Modelling multiple heat sources?

I am working on a project to model heat transfer in a data center. I have basic models for a one dimensional heat transfer using conduction and convection. Such as, taking a server and modelling the ...
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373 views

Ising model observables

Is there a formula or equation relating $\langle E\rangle$ and $\langle M\rangle$ (average spin per site) and $\langle E^2\rangle$ to temperature $T$ for the square lattice Ising model at zero ...
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Numerically integrate equations of motion with noise

Consider the equations of motion $$\begin{cases} \dot{x}(t) & = v(t) \\ \dot{v}(t) & = -\frac{\lambda}{m} v(t) + \frac{1}{m}F^{c}(x(t)) = a(x(t), v(t)) \end{cases},$$ where $x$ is the ...
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Keplerian orbits and radial velocities: problem with true anomalies

I am writing a pure Python code to calculate radial velocities of stars with massive objects orbiting them. I am following the formalism from Murray & Correia (2011) (hereafter MC11). In a given ...
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Generalized Eigenvalue Problem from linear stability analysis

I am trying to solve a generalized eigenvalue problem raised by linear stability analysis $$AV=\lambda BV.$$ $A$ and $B$ are non-symmetric complex valued matrices. The set of equations I am trying to ...
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2-D Ising model temperature of equilibrium [duplicate]

I have simulated 2-D Ising model in C#, but my scatter plot for magnetization versus temperature is an decreasing line (you know that the correct plot decreases quickly in a temperature near 2.3). ...
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26 views

Why is more difficult for a DFT to converge with non-periodic conditions?

I am simulating a cubic amorphous silica system. When all boundaries are periodic the SCF iteration converges rapidly. However, when the boundary is not periodic in the $x$ direction, the SCF ...
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2answers
79 views

Use Runge Kutta method to solve schrodinger equation

The schrodinger equation in spherical coordinates after seperation of variables as a solution of hydrogen atom is given by $$ \frac{-\hbar^{2}}{2 \ m} \left[ \frac{1}{r^{2}} \frac{d}{dr} \left(r^{2} ...
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Derivation of generation of time between two subsequent particle enters into computational domain

I have problem with understanding derivation of one equation in following problem. You have 1D computational domain (it is not 1D but because it is symmetrical and we are watching only radial ...
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1answer
110 views

Molecular dynamics and detailed balance

In developing methods to perform Monte Carlo simulations one sufficient condition to preserve the stationarity of the target probability distribution is to impose detailed balance i.e. [Gardiner page ...
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1answer
83 views

Simulation of relativistic probe passing through an external solar system

I recently read about the Breakthrough Initiative to launch "StarShot", a nano-probe that is designed to travel to Alpha Centauri at $0.2c$. One of the challenges to be solved involves the precise ...
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Matrix representation of the radial Laplace operator isn't symmetric (or hermition as a result)

I'm working with the cylindrical coordinates. I'm using the central difference to convert the radial part of Laplace operator into a matrix. $\nabla^2 u = \frac{\partial ^2u}{\partial ...
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1answer
80 views

FCC-to-BCC phase transition in NaCl, Buckingham or Lennard-Jones potentials?

Background The transformation from B1 (face centered cubic (FCC) type) to B2 (body centered cubic (body centered cubic (BCC) type) structures is one of the best documented high pressure phase ...
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1answer
67 views

How to conserve momentum when numerically-integrating the path of a charged particle through a magnetic field

I have the python script attached below, which is intended to track the trajectory of a charged particle in a static, uniform magnetic field. It is very simple to calculate the instantaneous force ...
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1answer
73 views

Can I re-wind gravity?

Suppose I perform an arbitrary simulation where I integrate the motions of a collection of particles which interact only gravitationally. Suppose I use a time reversible integrator (to be specific, ...
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1answer
45 views

Monte Carlo simulation of Breit-Wigner

I am using a Monte Carlo approach to integrate a scattering amplitude which has a propagator-squared term like $f(s)=\frac{1}{(s - 4)^2 + 1}$, between $s=0$ and $s=20$. Using a uniform random ...
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1answer
59 views

Numerical construction of phase space for a dynamical system

Suppose I have a standard, deterministic dynamical system. For concreteness I'll assume it's a two variable system of the form, $$ \dot x_1 = f(x_1,x_2; \theta_1)\\ \dot x_2 = g(x_1,x_2; \theta_2) $$ ...
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How is time evolution done in numerical GR?

Suppose we're simulating what happens when a fairly massive object falls into a black hole. Say the object starts far away, so that the initial condition is that the metric is the Schwarzschild metric ...
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Fermi-level of lattice model

I have a chain of $N$ lattice points with periodic boundary conditions. Every lattice point only has one orbital for an electron to occupy and spin is not included for simplicity. The lattice points ...
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1answer
66 views

Methods for handling close approaches in $N$-body simulations

In direct gravitational $N$-body simulations, what are the preferred methods for handling close approaches between bodies in order to preserve the accuracy of the evolution of the system?
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1answer
46 views

Symmetry in program for ewald summation

The formula for Ewald summation as given in Allen and Tildesley - $$ U = U^{(r)} + U^{(k)} + U^{(bc)} + U^{self} $$ where the k-space contribution of potential is given by $$ U^{(k)} = \frac{1}{\pi ...
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Simulating TE011 mode in cylindrical cavity, Comsol [closed]

I have been trying to simulate TE011 mode in a cylindrical cavity by modifying the example given in Comsol ...
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0answers
24 views

Choosing the boundary conditions knowing the potential

So I have to apply Numerov's algorithm to solve the Schrödinger equation in spherical coordinates using the potential $V(r)=-A e^{-r/a}$, where $A=32.7MeV$ and $a=2.18fm$. I have already ...
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1answer
72 views

Schrödinger equation in spherical coordinates using Numerov's method?

So I need to solve the Schrödinger equation using Numerov's method. However, the problem I have assigned to me is in spherical coordinates. As it seems, I only need to take into account the dependance ...
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3answers
351 views

Solving the two body problem numerically

I'm trying to solve the two body problem numerically, setting up $G$, $m1$ and $m2$ to be equal to 1. then I located each mass on positions -5 and 5 respectively along the $x$ axis and gave them both ...
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Spherical Harmonic fitting excess polar magnitudes

I am trying to fit an expansion of spherical harmonic functions to a dataset distributed over the surface of a sphere using the least squares method. Each data point is in terms of ...
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1answer
44 views

Current Status of the Monte Carlo Sign Problem

I've been reading about the Monte Carlo sign problem, and I am a little confused about its current status. Specifically, after reading this post When is the "minus sign problem" in quantum ...