Author Topic: Strain energy  (Read 2010 times)

0 Members and 1 Guest are viewing this topic.

Offline jai

  • Regular QuantumATK user
  • **
  • Posts: 21
  • Reputation: 2
    • View Profile
Strain energy
« on: May 25, 2013, 11:33 »
Dear all,

How to calculate strain energy of 1-D systems like nanowire/nanoribbons?

Regards..

Offline zh

  • QuantumATK Support
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Strain energy
« Reply #1 on: May 25, 2013, 23:49 »
Under the linear elastic limit, one may do the following steps to get the strain energy:
1) calculate the total energy of an 1-D system at equilibrium state (i.e., strain = 0.0)
2) apply a small strain (e.g., uniaxial) to an 1-D system. That is to say, the length of 1-D system is elongated or shorten.
3) calculate the total energy of the 1-D system with a small finite strain.
4) the strain energy is obtained by the difference between the total energies in the 3)-rd and 1)-st steps. 

Offline jai

  • Regular QuantumATK user
  • **
  • Posts: 21
  • Reputation: 2
    • View Profile
Re: Strain energy
« Reply #2 on: May 26, 2013, 20:26 »
Thanks for the Reply..
Plz clarify how to apply strain? is it in terms of stretching or compressing the unit cell?

Offline zh

  • QuantumATK Support
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: Strain energy
« Reply #3 on: May 28, 2013, 01:02 »
Plz clarify how to apply strain? is it in terms of stretching or compressing the unit cell?
Of course, it is.