Ab initio simulation of the short-range order structure of Al ions and substitutional Fe, Cr impurities in S.S. Spinel (MgAl2O4)

2004 ◽  
Vol 100 (4) ◽  
pp. 567-572 ◽  
Author(s):  
S. L. Votyakov ◽  
A. V. Porotnikov ◽  
Yu. V. Shchapova ◽  
E. I. Yuryeva ◽  
A. L. Ivanovskii
Keyword(s):  
Ab Initio ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Structure ◽  
Ab Initio Simulation ◽  
Spinel Mgal2o4 ◽  
Substitutional Fe

Characteristic features of short-range-order structure of melts of Pb-Tl-Cd(Sn) ternary systems

1979 ◽  
Vol 22 (5) ◽  
pp. 484-486
Author(s):  
Ya. I. Dutchak ◽  
N. M. Klym ◽  
S. I. Mudryi ◽  
V. S. Frenchko
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Ternary Systems ◽  
Range Order ◽  
Order Structure ◽  
Characteristic Features

Electronic Energy and Short-Range Order in Binary Alloys

1982 ◽  
Vol 19 ◽  
Author(s):  
Mark O. Robbins ◽  
L.M. Falicov
Keyword(s):  
Transition Metals ◽  
Total Energy ◽  
Ab Initio ◽  
Model Calculation ◽  
Entire Range ◽  
Short Range ◽  
Short Range Order ◽  
Binary Alloys ◽  
Electronic Energy ◽  
Range Order

ABSTRACTAn electronic theory for the total energy of binary alloys is presented. It treats the entire range of concentration and short-range order. The method in not ab initio, but requires only information about the pure elemental constituents of the alloy. Results for two very different metal series, monovalent metals and 4-d transition metals, are calculated and compared to experiment and other models. The model calculation allows us to examine the physical basis for experimental trends.

Short-range order in ab initio computer generated amorphous and liquid Cu–Zr alloys: A new approach

2015 ◽  
Vol 475 ◽  
pp. 140-147 ◽  
Author(s):  
Jonathan Galván-Colín ◽  
Ariel A. Valladares ◽  
Renela M. Valladares ◽  
Alexander Valladares
Keyword(s):  
Ab Initio ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
New Approach ◽  
Zr Alloys

Studies of short range order structure in the high-Tc superconductor Y-Ba-Cu-O using X-ray absorption techniques

1989 ◽  
Vol 158 (1-3) ◽  
pp. 465-466 ◽  
Author(s):  
A. Krol ◽  
L.Y. Jang ◽  
S.C. Woronick ◽  
F. Xu ◽  
Y.D. Yao ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Structure ◽  
High Tc ◽  
X Ray ◽  
High Tc Superconductor ◽  
X Ray Absorption

Short-range order structure of amorphous Cr3Ge films

1977 ◽  
Vol 20 (12) ◽  
pp. 1626-1629
Author(s):  
E. S. Levin ◽  
Yu. S. Alekseev ◽  
P. V. Gel'd
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Structure

Short-range order structure and effective pair-interaction energy in Ni–Si alloys

2007 ◽  
Vol 55 (16) ◽  
pp. 5382-5388 ◽  
Author(s):  
Takumi Hasegawa ◽  
Keiichi Osaka ◽  
Toshihiko Takama ◽  
Haydn Chen
Keyword(s):  
Interaction Energy ◽  
Short Range ◽  
Short Range Order ◽  
Pair Interaction ◽  
Range Order ◽  
Order Structure ◽  
Pair Interaction Energy ◽  
Effective Pair

The short-range-order structure of α-phase Cu–Al alloys

1978 ◽  
Vol 34 (5) ◽  
pp. 667-681 ◽  
Author(s):  
J. E. Epperson ◽  
P. Fürnrohr ◽  
C. Ortiz
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Al Alloys ◽  
Range Order ◽  
Order Structure ◽  
Α Phase

Short-range-order structure of amorphous hydrous erbium oxide

1984 ◽  
Vol 40 (3) ◽  
pp. 264-269 ◽  
Author(s):  
W. O. Milligan ◽  
D. F. Mullica ◽  
H. O. Perkins ◽  
C. K. C. Lok ◽  
J. J. McCoy ◽  
...  
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Order Structure ◽  
Erbium Oxide
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