Structure-induced order-disorder transformation in Cd-Na liquid alloys

Research output: Contribution to journalArticle

Abstract

The origins of the S-shaped entropy of mixing and order-disorder transformation in Cd-Na liquid alloys have been investigated within a first-principle approach of a pseudo-potential perturbation scheme with the Gibbs-Bogoliubov variation technique. We find that the deepening of the structure part of the entropy around the stoichiometric composition (c Na ∼ 0:33) is responsible for the S-shaped entropy and suggests the existence of short-range order in the liquid state. The role of the local-field correction function, G(q), of conduction electrons on the entropy of mixing is examined. The impact of G(q) on partial structure factors is more visible towards low q(q → 0) than at higher q.

Original languageEnglish
Pages (from-to)382-387
Number of pages6
JournalZeitschrift fuer Metallkunde/Materials Research and Advanced Techniques
Volume97
Issue number4
Publication statusPublished - Apr 1 2006

Fingerprint

order-disorder transformations
liquid alloys
Order disorder transitions
Entropy
entropy
Liquids
conduction electrons
perturbation
Electrons
liquids
Chemical analysis

Keywords

  • Alloys
  • Correlation functions
  • Electronic theory
  • Entropy
  • Structure factor

ASJC Scopus subject areas

  • Metals and Alloys

Cite this

@article{52a061ceaf3c48ad8aeeadd6bcabd6fb,
title = "Structure-induced order-disorder transformation in Cd-Na liquid alloys",
abstract = "The origins of the S-shaped entropy of mixing and order-disorder transformation in Cd-Na liquid alloys have been investigated within a first-principle approach of a pseudo-potential perturbation scheme with the Gibbs-Bogoliubov variation technique. We find that the deepening of the structure part of the entropy around the stoichiometric composition (c Na ∼ 0:33) is responsible for the S-shaped entropy and suggests the existence of short-range order in the liquid state. The role of the local-field correction function, G(q), of conduction electrons on the entropy of mixing is examined. The impact of G(q) on partial structure factors is more visible towards low q(q → 0) than at higher q.",
keywords = "Alloys, Correlation functions, Electronic theory, Entropy, Structure factor",
author = "Singh, {R. N.} and I. Ali",
year = "2006",
month = "4",
day = "1",
language = "English",
volume = "97",
pages = "382--387",
journal = "International Journal of Materials Research",
issn = "1862-5282",
publisher = "Carl Hanser Verlag GmbH & Co. KG",
number = "4",

}

TY - JOUR

T1 - Structure-induced order-disorder transformation in Cd-Na liquid alloys

AU - Singh, R. N.

AU - Ali, I.

PY - 2006/4/1

Y1 - 2006/4/1

N2 - The origins of the S-shaped entropy of mixing and order-disorder transformation in Cd-Na liquid alloys have been investigated within a first-principle approach of a pseudo-potential perturbation scheme with the Gibbs-Bogoliubov variation technique. We find that the deepening of the structure part of the entropy around the stoichiometric composition (c Na ∼ 0:33) is responsible for the S-shaped entropy and suggests the existence of short-range order in the liquid state. The role of the local-field correction function, G(q), of conduction electrons on the entropy of mixing is examined. The impact of G(q) on partial structure factors is more visible towards low q(q → 0) than at higher q.

AB - The origins of the S-shaped entropy of mixing and order-disorder transformation in Cd-Na liquid alloys have been investigated within a first-principle approach of a pseudo-potential perturbation scheme with the Gibbs-Bogoliubov variation technique. We find that the deepening of the structure part of the entropy around the stoichiometric composition (c Na ∼ 0:33) is responsible for the S-shaped entropy and suggests the existence of short-range order in the liquid state. The role of the local-field correction function, G(q), of conduction electrons on the entropy of mixing is examined. The impact of G(q) on partial structure factors is more visible towards low q(q → 0) than at higher q.

KW - Alloys

KW - Correlation functions

KW - Electronic theory

KW - Entropy

KW - Structure factor

UR - http://www.scopus.com/inward/record.url?scp=85033369109&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85033369109&partnerID=8YFLogxK

M3 - Article

VL - 97

SP - 382

EP - 387

JO - International Journal of Materials Research

JF - International Journal of Materials Research

SN - 1862-5282

IS - 4

ER -