Ry/Dublette/Fragment 034 24

Typus: KeineWertung

Bearbeiter: Klgn

Gesichtet

Untersuchte Arbeit:
Seite: 34, Zeilen: 24-26

Quelle: Biosym MSI - Integration Algo 1995
Seite(n): Internet, Zeilen: Internet

At its simplest, molecular dynamics solves Newton’s equation of motion:

            F
          
          i
        
        (
        t
        )
        =
        
          m
          i
        
            a
          
          i
        
        (
        t
        )
        =
        
          m
          i
        
              ∂
              
                2
              
                r
              
              i
            
            ∂
            
              t
              i
              
                2
              
    {\displaystyle \mathrm{F}_i(t)=m_i \, \mathrm{a}_i (t)=m_i \, \frac{\partial ^{2}\mathrm{r}_i}{\partial t_i^{2}}}
  
          (2.1)
where Fi is the force, mi is the mass and ai is the acceleration of atom i.

At its simplest, molecular dynamics solves Newton's familiar equation of motion:
Eq. 5-1: 
  
            F
          
          i
        
        (
        t
        )
        =
        
          m
          i
        
            a
          
          i
        
        (
        t
        )
      
    {\displaystyle \mathbf{F}_i(t)=m_i \mathbf{a}_i (t)}
  
where Fi is the force, mi is the mass, and ai is the acceleration of atom i.

Anmerkungen

Also refer to the next page Ry/Fragment 035 01.

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