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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Physics of simple collisions

I'm building a physics simulator for a graphics course, and so far I have it implementing gravitational and Coulomb forces. I want to add collisions next, but I'm not exactly sure how to go about ...
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617 views

How to determine velocity vector direction with respect to acceleration.

I'm currently writing a program that attempts to simulate particle movement in a gravitational field with more than one object exerting a force on it. I decided that I'd have the particle move by ...
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950 views

Church-Turing hypothesis as a fundamental law of physics

The Church-Turing hypothesis says one can not build a computing device which has more computing power (in terms of computability) than the abstract model of Turing machine. So, there is something in ...
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285 views

Euler Equations, Sod shock tube & conservation

Conservation of momentum? I am considering the Euler equations in conservative form and solving the Sod shock tube problem I have written a Godunov finite volume type solver. It solves for density ρ, ...
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1answer
4k views

Solving Schrödinger's equation with Crank-Nicolson method

I am trying to numerically solve Schrödinger's equation with Cayley's expansion ($\hbar=1$) $$\psi(x,t+\Delta t)=e^{-i H\Delta t}\psi(x,t)\approx\frac{1-\frac{1}{2}i H\Delta t}{1+\frac{1}{2}i H\Delta ...
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715 views

How is acceleration computed in the leap-frog algorithm in computer simulations of particles?

I am reading the book Computer Simulation of Liquids by Allen and Tildesley (here is another link). On page 80, the authors describe the leap-frog algorithm, which is used extensively in molecular ...
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229 views

Feynman's infinite amount of logic for one tiny bit of space

Watching one of Feynman's lectures, I came across something that puzzled me. What was Feynman referring to when he said the following? What goes on in no matter how tiny a region of space and no ...
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1answer
76 views

Calculate Euler equations of fluid dynamics without division?

I'm working on the calculation of the Euler equations with the finite volume method. Unfortunately I'm not allowed to do a division. So I'm wondering if there's a form which does not need a division. ...
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1answer
472 views

How to solve the heat equation for compound materials with different heat conductivities numerically?

I'm solving the heat equation with time dependent boundary conditions numerically in a 2D system using the ADI scheme. For the purpose of this question, let's assume a constant heat conductivity and ...
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Radial Schrodinger equation with inverse power law potential

Recently I read a paper about solving radial Schrodinger equation with inverse power law potential. Consider the radial Schrodinger equation(simply set $\mu=\hbar=1$): ...
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210 views

Simulate the universe?

Alright, Lets assume that I have a computer with limited calculation speed (1-4GHz) but unlimited parallel processing capability and unlimited memory capacity to go with it. Under this assumption ...
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1answer
64 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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Home-made lattice calculation?

The topic of Lattice QCD or Lattice gauge theory or even Lattice field theory is quite old now. And the main reason for the interest in the topic is the ability to calculate nonperturbative stuff on a ...
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What do theoretical physicists need from computer scientists?

I recently co-authored a paper (not online yet unfortunately) with some chemists that essentially provided answers to the question, "What do chemists need from computer scientists?" This included the ...
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3answers
2k views

How are physics and computer science getting united? [closed]

How is theoretical computer science getting united with physics? Phenomena like Quantum Computing uses Quantum Mechanics to be able to compute things, how are computers helping not just to model our ...
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4answers
5k views

Why is the canonical ($NVT$) ensemble often used for (classical) molecular dynamics (MD) simulations?

Molecular dynamics (MD) simulation is a common approach to the (classical) many-body problem. It relies on integration of Newton's equations of motion to simulate the trajectories of many (e.g., ...
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193 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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307 views

Can computers accurately model all of the details (to the subatomic level) of macro objects in collisions?

Frequently when trying to solve cosmology questions physicists turn to computer simulations of the universe (albeit massively simplified) in order to verify or disprove their hypotheses. This got me ...
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On numerically solving the Schrödinger equation

I just read a paper 'A pocket calculator determination of energy eigenvalues' by J Killingbeck (1979). Link: http://iopscience.iop.org/0305-4470/10/6/001 I have some questions about section 2. Why ...
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How do I calculate the Reynolds number in multiphase flows?

I am modeling a gas flowing through a liquid. How do I calculate the Reynolds number in multiphase flows? And, at what Reynolds number should I consider the flow to be turbulent? The problem is of a ...
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1answer
147 views

Least action principle — numerical simulation strangeness

I'm trying to get some experience with the least action principle, and for this I chose a simple 1-dimensional problem of a particle moving in some field. The least action principle would then look ...
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1answer
374 views

Discretizing the Wave Equation in polar coordinates

I want to discretize the wave equation $$\frac{1}{c^2}\frac{\partial^2\psi\left(\vec{r},t\right)}{\partial t^2}=\triangle\psi\left(\vec{r},t\right)$$ in polar coordinates. I find the following ...
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397 views

In condensed matter simulations, how is particle number density computed in practice?

I have been reading a recent paper. In it, the authors performed molecular dynamics (MD) simulations of parallel-plate supercapacitors, in which liquid resides between the parallel-plate electrodes. ...
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1answer
1k views

Some hints/introductions/textbooks for LBM (Lattice Boltzmann methods) fluid simulation?

I come from a computer science background and I want to learn details about LBM in fluid simulation. I have been searching around for a concise tutorial that tells me how LBM is used to solve a ...
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144 views

Minimal Extension of Wave Equation to Include Dispersion

Let's say you are modeling some process with the wave equation $\frac{1}{c^{2}}\frac{\partial^{2}\psi}{\partial t^{2}} = \nabla^{2}\psi$. You wish to improve your model by including dispersive ...
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Solving one dimensional Schrodinger equation with finite difference method

Consider the one-dimensional Schrodinger equation $$-\frac{1}{2}D^2 \psi(x)+V(x)\psi(x)=E\psi(x)$$ where $D^2=\dfrac{d^2}{dx^2},V(x)=-\dfrac{1}{|x|}$. I want to calculate the ground state ...
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552 views

How to include random force in the simulation (Classical Molecular Dynamics)

I need to implement a random force in my code according to the fluctuation dissipation theorem. I have a Gaussian distribution function ready width average 0 and distribution 1 and I know I need to ...
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1answer
373 views

Is there an algorithm for N body simulations in General Relativity [duplicate]

I am new to general relativity but have a background in computer science. Why is it so hard to do n-body simulations in GR? For example, there could be a program which takes the properties (mass, ...
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1answer
135 views

Hartree Fock equations

I don't understand how the Hartree Fock equations define an iterative method! For this discussion, I am referring to the HF equations as described here: click me! Basically if you guess a bunch of ...
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1answer
81 views

How do I set up the tridiagonal matrix for a heat diffusion with layers of different thermal diffusivity?

I have Scala code that recreates the Crank-Nicolson solutions for the diffusion equations, and matches 'Excel for Scientists and Engineers' (Joe Billo, Wiley). However, I would like to be able to ...
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1answer
654 views

Calculating Kramers-Kronig using Mathematica [closed]

First of all, I know there is a Mathematica group in beta, but I don't think the problem of the following is directly a Mathematica issue. I am trying to calculate the change of the refractive index ...
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1answer
580 views

Numerical schemes, time integration algorithms and energy conservation

What does it mean when someone says a numerical scheme or a time integration algorithm is "energy conserving". How can a numerical scheme "gain" or "lose" or "conserve" energy apart from the numerical ...
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1answer
156 views

How close to the critical point is sufficient close for measuring critical exponents?

I am learning Monte Carlo and just manage to simulate a phase transition by computing the heat capacity or the susceptibility. I wish I can also compute critical exponents.To this purpose, I have read ...
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Do black hole merger simulations include regions inside event horizons?

Inspired by this question, I would like to ask the following specific point. In numerical simulations of general relativity that involve black holes, like the ones used to understand the black-hole ...
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1answer
146 views

Calculating a two-dimensional orbital path with infinite granularity (non-Euler integration)

For a game I am making, I am trying to calculate the position of an orbiting object around one or more bodies. I have successfully implemented this gravity simulation by calculating the force, then ...
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0answers
148 views

Difference between a Fixed Point and a Limit Point in implementations of the Renormalization Group (RNG) in Large Eddy Simulation (LES) model

In the introduction of this paper, it is explained that and how the application of a dynamic subrid scale model for turbulence into a large eddy simulation (LES) model corresponds to doing one ...
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0answers
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Doing numerics in physics [closed]

Soon, I am going to write my master thesis in theoretical physics. I assume there, and later on in my career, I will have to do more serious numerics than I did up to this point. That's why I want to ...
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89 views

Obtaining propagating solutions for Schrodinger equation from known bound states (in 2 and 3 dimensions)?

If I found all the bound states for a certaing potential in 2 or 3 dimensions (numerically), can I immediately obtain some information about the propagating solutions for the same potential (such as ...
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3answers
139 views

Langevin Equation - Stochastic Differential Equation. What are the subtleties?

I am trying to find out the motion of a particle in 3D governed by the Langevin equation, numerically. Anyway, the Langevin equation is given by $$m \ddot{x} = -(6\pi a\nu) \dot{x} + F_b $$ where ...
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1answer
127 views

Heat equation with heat radiation and heat transfer

If I want to calculate steady temperature distribution on a one-dimensional stick, and I need to consider both the heat radiation and heat transfer, then my equation will be in the form: $$ ...
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1answer
155 views

Thermal conduction through 1D rod with changing thermal diffusivity?

I've been working with solving partial differential equations in 1D numerically using the finite difference scheme. My case is for example this: I've got a rod that's insulated around the sides such ...
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2answers
1k views

Gas viscosity at high pressure, high temperature

EDIT 1 PER COMMENTS I am wanting to model nitrogen gas viscosity as a function of pressure and temperature OR learn of an existing equation that models nitrogen viscosity for the pressure and ...
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1answer
185 views

Is there a normalized form of the Euler equation discretized with finite volumes?

I want to calculate a flux on my fpga using the Euler equations with the finite volume method. Unfortunately the values of the state variables differ a lot. For example the pressure has a value of ...
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0answers
691 views

Hysteresis Curve and how to implement it using Preisach model or other models

As a homework I need to draw a hysteresis curve (preferably an interactive one) using Matlab or any other programming language. The problem is I have trouble finding a good algorithm to do so. I need ...
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1answer
82 views

Getting nonphysical results when solving for the index of refraction of a slab?

I'm trying to computationally find the refractive indices (real and imaginary) for a thin slab suspended in air (so the only indices to deal with are air and my material's). I've experimentally taken ...
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2answers
203 views

What is a good model for computing water dropping on a surface?

Before introducing my question I would like to outline the fact that I'm a coder, so I can be wrong when using some kind of terminology. What is a good model for computing the flow, the shape and all ...
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3answers
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Calculate kinematics of body movement from the set of spatial coordinates

Short intro I have a set of 3D (x,y,z) spatial coordinates of arm movement obtained using motion capture system. The example set of such coordinates looks like this (rounded up): ...
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1answer
155 views

How do we define capillary number in 2D (two dimensions)

In 3D the capillary number $Ca$ is defined as: $$Ca=\frac{\nu \rho U}{\gamma}$$ where $\nu$ is the kinematic viscosity ($m^2/s$), $U$ is the velocity ($m/s$)and $\gamma$ is the interfacial tension ...
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151 views

Can you suggest me some good resource for learning Mathematica for physics? [closed]

I am into HEP. I know nothing in Mathematica and have to start from basics. HEP requires a lot of computation for Feynman diagrams etc could you please suggest some good resource to start learning ...