Classical time evolution

given initial positions and momenta of the particles in a classical mechanics system, the task is to predict these positions and momenta at later time.

Community: MathModDB

computational task

Available identifiers

MaRDI QIDQ6684559MaRDI QIDQ6684559FDOQ6684559

Contained entities

particle position	output
particle velocity	input
force acting on a particle	parameter
particle momentum	$p\equiv mv$	output
	$m$ represents particle mass
	$p$ represents particle momentum
	$v$ represents particle velocity
Fokker-Planck equation	$\frac{\partial }{\partial t}p(x,t)=-\frac{\partial }{\partial x}[(\mu (x,t)-u)p(x,t)]+\frac{{\partial }^2}{\partial x^2}[D(x,t)p(x,t)]$
	$D$ represents mass diffusivity
	$\mu$ represents drift velocity
	$p$ represents probability distribution
	$t$ represents time
	$u$ represents control system input
	$x$ represents particle position
Brownian equation	$\frac{\text{d}}{\text{d}t}q=-\frac{D}{k_{\text{B}}T}F(q)+\sqrt{2D}R(t)$
	$D$ represents mass diffusivity
	$F$ represents force acting on a particle
	$R(t)$ represents white noise
	$T$ represents temperature
	$k_{\text{B}}$ represents Boltzmann constant
	$q$ represents particle position
	$t$ represents time
Newton second law of motion for constant mass	$\frac{{\mathrm{d}}^{\mathrm{2}}}{\mathrm{d}{t}^2}\overrightarrow{q}=\overrightarrow{F}/m$
	$F$ represents force acting on a particle
	$m$ represents mass
	$q$ represents particle position
	$t$ represents time
Hamilton's equations	$\begin{array}{ccc}\frac{\mathrm{d}𝒒}{\mathrm{d}t}& =& +\frac{\partial \mathscr{H}}{\partial 𝒑}\\ \frac{\mathrm{d}𝒑}{\mathrm{d}t}& =& -\frac{\partial \mathscr{H}}{\partial 𝒒}\end{array}$
	$\mathscr{H}$ represents Hamiltonian function
	$p$ represents particle momentum
	$q$ represents particle position
	$t$ represents time
Langevin equation	$M\frac{{\mathrm{d}}^{\mathrm{2}}}{\mathrm{d}{t}^2}\overrightarrow{q}=F(q)-\gamma \frac{\mathrm{d}}{\mathrm{d}t}q+\sqrt{2\gamma k_{B}T}R(t)$
	$F$ represents force acting on a particle
	$M$ represents particle mass
	$R(t)$ represents white noise
	$T$ represents temperature
	$\gamma$ represents coefficient of friction
	$k_B$ represents Boltzmann constant
	$q$ represents particle position
	$t$ represents time
Liouville equation	$\frac{d\rho }{dt}=\frac{\partial \rho }{\partial t}+\sum _{i=1}^n(\frac{\partial \rho }{\partial q_i}{\dot{q}}_i+\frac{\partial \rho }{\partial p_i}{\dot{p}}_i)$
	$H$ represents Hamiltonian function
	$\rho$ represents classical density (phase space)
	$p$ represents particle momentum
	$q$ represents particle position
	$t$ represents time

Computational tasks specializations

heavy particle propagation

Further links

Item	Property
Brownian dynamics	used by
classical dynamics model	used by
Fokker Planck model	used by
Langevin dynamics	used by

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