How Do You Calculate a(t+dt) Using the Velocity Verlet Algorithm?

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SUMMARY

The discussion focuses on calculating a(t+dt) using the Velocity Verlet algorithm for simulating the dynamics of a particle. The Langevin equation is employed, where acceleration a(t) is defined as a combination of velocity, external forces, and fluctuating forces. The user expresses uncertainty about using v(t) in the calculation of a(t+dt) and seeks clarification on whether this approach is valid. The response emphasizes the semi-implicit nature of the Verlet integrator, suggesting that numerical solutions are necessary at each step and questioning the necessity of using the Verlet method over alternatives like the Runge-Kutta family.

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  • Understanding of the Langevin equation and its components
  • Familiarity with the Velocity Verlet algorithm
  • Knowledge of numerical methods for solving differential equations
  • Basic concepts of harmonic forces and their mathematical representation
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  • Study the implementation of the Velocity Verlet algorithm in Python or C++
  • Learn about the Runge-Kutta methods for solving ordinary differential equations
  • Explore the concept of semi-implicit integrators in numerical simulations
  • Investigate the effects of fluctuating forces in Langevin dynamics simulations
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Homework Statement



I am going to use the velocity verlet algorithm to simulate the position, velocity and acceleration at time t of some particle.

Homework Equations



We got the Langevin equation: a(t) = -v(t)/tau - U'(x) / m + F_f(t) / m

Where tau is the mass divided by the friction coefficient, U'(x(t)) the external force and F_f(t) the fluctuating force. Let's say the external force is harmonic, ½kx(t)^2, so U'(x(t)) / m = kx(t)/m.

I have so far typed in x(t+dt), v(t+dt/2) and I need to find what a(t+dt) is. It's easier if you go see http://en.wikipedia.org/wiki/Verlet_integration" for the equations i refer to :)

As for a(t+dt) I am in doubt how I should find this, what I tried so far is:

a(t+dt) = -1/m * dV(x(t+dt))/dx

= -v(t) / tau - k*x(t+dt) / m + F_f(t)

(Where I take the value of the fluctuating force randomly from a normaldistribution)

My doubt is about the use of v(t), can I use v(t) in the above equation? I don't see how many other options I have since we need a(t+dt) to be able to calculate v(t+dt), or have I missed something?

I hope someone can help me a bit, if you need more info or anything is unclear, please tell me here.
 
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No one able to help? :)
 
The verlet integrator is semi-implicit, which means exactly what you've noticed: you need [tex]v(t+dt)[/tex] to calculate [tex]a(t+dt)[/tex]. In general this means that you need to solve an equation at each step (numerically). Do you have to use Verlet? The usual Runge-Kutta family is pretty good, or even just plain ol' midpoint rule?
 

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