Pseudo-critical slowing down within the cluster variation method and the path probability method

Tetsuo Mori

Research output: Contribution to journalConference article

15 Citations (Scopus)

Abstract

The pseudo critical slowing down phenomenon reported for an order-disorder transition of the first order is reproduced by the path probability method calculations on a L1 0 ordered phase. The slowing down takes place towards the instability temperature of the metastable ordered phase rather than the transition temperature. In order to clarify the thermodynamic origin of the pseudo critical slowing down, the temperature dependency of generalized susceptibilities are calculated for the L1 0 ordered phase as a function of v 2,2 /v 2,1 , where v 2,n is the nth nearest neighbour effective pair interaction energy. The diverging behaviour is observed towards the instability temperature through the transition temperature. This is pronounced, as the second-order character is emphasized. It is confirmed that the pseudo-critical slowing down phenomenon is caused by the flattening of the free energy surface, leading to the loss of the thermodynamic driving force for relaxation. The first-principles calculation of the susceptibility is attempted for Cu-Au system at a 1:1 stoichiometric composition. A sharp rise is confirmed near the transition temperature.

Original languageEnglish
Pages (from-to)239-249
Number of pages11
JournalModelling and Simulation in Materials Science and Engineering
Volume8
Issue number3
DOIs
Publication statusPublished - 2000 May 1
EventThe Workshop on Thermodynamic and Structural Properties of Alloy Materials - Oranjestad, Aruba
Duration: 1999 Jun 201999 Jun 24

ASJC Scopus subject areas

  • Modelling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications

Fingerprint Dive into the research topics of 'Pseudo-critical slowing down within the cluster variation method and the path probability method'. Together they form a unique fingerprint.

  • Cite this