Short-range order in Ising-like models with many-body interactions: Description via effective pair interactions

1989 ◽  
Vol 40 (7) ◽  
pp. 4990-4999 ◽  
Author(s):  
W. Schweika ◽  
A. E. Carlsson
Keyword(s):  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Many Body ◽  
Effective Pair ◽  
Many Body Interactions ◽  
Pair Interactions

A First-Principles Study of Short Range Order in Cu-Zn

1989 ◽  
Vol 166 ◽  
Author(s):  
M. Sluiter ◽  
P.E.A. Turchi ◽  
D.D. Johnson ◽  
F.J. Pinski ◽  
D.M. Nicholson ◽  
...  
Keyword(s):  
First Principles ◽  
Short Range ◽  
Short Range Order ◽  
Alloy System ◽  
Cluster Variation Method ◽  
Range Order ◽  
Variation Method ◽  
Effective Pair ◽  
Cluster Variation ◽  
Pair Interactions

Recently, measurements of short-range order (SRO) diffuse neutron scattering intensity have been performed on quenched Cu-Zn alloys with 22.4 to 31.1 atomic percent (a/o) Zn, and pair interactions were obtained by Inverse Monte Carlo simulation [1]. These results are compared to SRO intensities and effective pair interactions obtained from first-principles electronic structure calculations. The theoretical SRO intensities were calculated with the Cluster Variation Method (CVM) in the tetrahedron-octahedron approximation with first-principles pair interactions as input. More generally, phase stability in the Cu-Zn alloy system is discussed, using ab-initio energetic properties.

Electronic Structure, Multiatom Interactions, Stability of Ordered Structures and Short Range Order in Binary Transition Metal Alloys

1982 ◽  
Vol 21 ◽  
Author(s):  
A. Bieber ◽  
F. GAUTIER
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Metal Alloys ◽  
Ordered Structures ◽  
Transition Metal Alloys ◽  
The Stability ◽  
Pair Interactions

ABSTRACTMlultiatom interactions required in the statistical models used for the study of both the stability of ordered structures in the ground state and the chemical short range order, have been computed from the electronic structure for transition metal alloys. It is shown that : i) the most important interactions coming from “d” bands are those corresponding to self-retraced paths, the contributions of compact clusters being negligible ; ii) in general the results obtained using only second order pair interactions are valid provided that the concentration dependence of the pair interactions is taken into account. However in a few peculiar cases these results may be qualitatively modified.

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 Local Atomic Structure in Hg0.80Cd0. 20Te

1993 ◽  
Vol 307 ◽  
Author(s):  
J. P. Quintana
Keyword(s):  
Absorption Edge ◽  
Atomic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Near Neighbor ◽  
Local Atomic Structure ◽  
Range Order ◽  
X Ray ◽  
X Ray Scattering ◽  
Pair Interactions

ABSTRACTLocal atomic arrangements in Hg0.80Cd0. 20Te were investigated by measuring the diffuse x-ray scattering at two different energies near the HgLIII absorption edge to yield intensity due only to Hg-Hg, Hg-Te, and Hg-Cd pair interactions. The data were separated into short range order and displacement intensities. Simulation revealed ordered regions with 3:1 Hg-Cd near neighbor configurations. The Hg-Te length is contracted.

Diffuse Neutron Scattering Study of Short-Range Order in Fe0.8Al0.2Alloy

1989 ◽  
Vol 166 ◽  
Author(s):  
Werner Sciiweika
Keyword(s):  
Neutron Scattering ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Chemical Ordering ◽  
Iron Aluminum ◽  
Effective Pair ◽  
Neutron Scattering Study ◽  
Iron Aluminum Alloys ◽  
Diffuse Neutron

ABSTRACTDiffuse neutron scattering experiments have been performed on a single crystal Fe0.8Al0.2at T-1013K. The data are analysed in terms of short-range order and lattice displacements. Effective pair-interactions have been determined by the inverse Monte Carlo method.Further measurements of the temperature dependence of the diffuse scattering reveal a long-range ordered phase with the B32 structure below T∼ 650K. This new phase is related to the influence of the magnetism on the chemical ordering in the, iron-aluminum alloys.

High Temperature Measurements of Neutron Diffuse Scattering in a FeAll9.Sat% Single Crystal. Influence of Magnetism on Chemical Order.

1990 ◽  
Vol 213 ◽  
Author(s):  
V. Pierron-Bohnes ◽  
M.C. Cadeville ◽  
O. Schaerpf ◽  
A. Finel
Keyword(s):  
Diffuse Scattering ◽  
Short Range ◽  
Short Range Order ◽  
Magnetic Coupling ◽  
Pair Interaction ◽  
Cluster Variation Method ◽  
Range Order ◽  
Variation Method ◽  
Ferromagnetic Phase ◽  
Effective Pair

ABSTRACTThe influence of magnetism on atomic short range order is shown in a single crystalline FeAl19.sat% alloy in the disordered phase. The short range order has been measured in the paramagnetic state between 973 and 1573 K on D7 at ILL through neutron diffuse scattering in the [110] plane. The effective pair interaction potentials V1 , V2, V3 and V5 are calculated through an inverse cluster variation method. The results are compared to those obtained through X-ray diffuse scattering on the same alloy frozen in the ferromagnetic order state at 772 K. The effect of magnetic coupling on the atomic order is the most important on the 1st effective potential, which is smaller by about a factor 2 in the ferromagnetic phase than in the paramagnetic one.

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