Preprint Article Version 3 This version is not peer-reviewed

Crystal Period Vectors under External Stress in Statistical Physics

Version 1 : Received: 3 April 2019 / Approved: 8 April 2019 / Online: 8 April 2019 (08:48:22 CEST)
Version 2 : Received: 23 April 2019 / Approved: 23 April 2019 / Online: 23 April 2019 (12:18:56 CEST)
Version 3 : Received: 16 November 2019 / Approved: 18 November 2019 / Online: 18 November 2019 (04:39:26 CET)

How to cite: Liu, G. Crystal Period Vectors under External Stress in Statistical Physics. Preprints 2019, 2019040076 (doi: 10.20944/preprints201904.0076.v3). Liu, G. Crystal Period Vectors under External Stress in Statistical Physics. Preprints 2019, 2019040076 (doi: 10.20944/preprints201904.0076.v3).

Abstract

In crystal periodic structure prediction, a general equation is needed to determine the period vectors (cell edge vectors), especially when crystals are under arbitrary external stress. It has been derived in Newtonian dynamics years ago, which can be combined with quantum mechanics by further modeling. Here we derived such an equation in statistical physics, applicable to both classical physics and quantum physics by itself.

Subject Areas

period vectors; external stress; crystal struture prediction; statistical physics

Comments (1)

Comment 1
Received: 18 November 2019
Commenter: Gang Liu
Commenter's Conflict of Interests: Author
Comment: Emphasis on that Eq. (6) applies to quantum physics by itself. Actually, it is the only rigorous one to determine crystal period vectors under general external stress from the quantum physics point of view. This work is also compared with elasticity. Otherwise, people may easily believe the problem has been solved in elasticity already, however this is not true.
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