CALCULATIONS OF S(Q) FOR LIQUID 3D TRANSITION-METALS

Authors
KHALEQUE MA BHUIYAN GM RASHID RIMA RAHMAN SMM
Citation
Ma. Khaleque et al., CALCULATIONS OF S(Q) FOR LIQUID 3D TRANSITION-METALS, Physics and chemistry of liquids, 30(1), 1995, pp. 9-16
Citations number
24
Categorie Soggetti
Chemistry Physical","Physics, Condensed Matter
Journal title
Physics and chemistry of liquids → ACNP
ISSN journal
00319104
Volume
30
Issue
1
Year of publication
1995
Pages
9 - 16
Database
ISI
SICI code
0031-9104(1995)30:1<9:COSFL3>2.0.ZU;2-S
Abstract
Liquid structure for the 3d transition metals near melting is investig ated using the linearized Weeks-Chandler-Andersen (LWCA) theory. Here the effective interionic pair potential is described by the Wills-Harr ison model. Results show that LWCA predicts the structure factor much better than that of WCA. Results also show that in the middle of the 3 d series LWCA predicts reasonable liquid structure where the WCA-ORPA has been unsuccessful.