Configurational density of states and entropy of alloys: A Monte Carlo approach on body‐centered cubic and face‐centered cubic lattices

1988 ◽  
Vol 89 (7) ◽  
pp. 4339-4345 ◽  
Author(s):  
C. Bichara ◽  
J.‐P. Gaspard ◽  
J.‐C. Mathieu
Keyword(s):  
Monte Carlo ◽  
Density Of States ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Monte Carlo Approach ◽  
Cubic Lattices ◽  
Face Centered

Zero-Point Effects in Heisenberg Antiferromagnets with Arbitrary Range of Interaction

1972 ◽  
Vol 50 (23) ◽  
pp. 2991-2996 ◽  
Author(s):  
M. F. Collins ◽  
V. K. Tondon
Keyword(s):  
Ground State ◽  
State Energy ◽  
Correction Term ◽  
Zero Point ◽  
Face Centered Cubic ◽  
Heisenberg Antiferromagnet ◽  
Body Centered Cubic ◽  
Cubic Lattices ◽  
Simple Cubic ◽  
Face Centered

The ground state energy, spin-wave energy, and sublattice magnetization have been calculated for a Heisenberg antiferromagnet at the absolute zero of temperature. The treatment extends the earlier work of Anderson, Kubo, and Oguchi to apply for any two-sublattice antiferromagnet with arbitrary range of interaction. It is shown that for each exchange interaction there is a different characteristic correction term to the energies. Explicit calculations are made of these terms for the simple cubic, body-centered cubic, and face-centered cubic lattices, with both first- and second-neighbor interactions. Applications are also made to NiO and MnO. An extra term in the magnetization series beyond that given by earlier workers is derived.

Zufallswege und Reaktionen atomarer Gitterfehler in Modellkristallen

1969 ◽  
Vol 24 (3) ◽  
pp. 367-376 ◽  
Author(s):  
Helmut Mehrer
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Random Walks ◽  
Point Defects ◽  
Preceding Paper ◽  
Initial Distribution ◽  
Face Centered Cubic ◽  
Cubic Lattices ◽  
Face Centered

AbstractRandom walks and reactions of point defects in face-centered cubic lattices have been simulated by means of a Monte-Carlo method described in the preceding paper (I) . In this paper the method is applied to the recombination of vacancies and interstitials. Equal or different numbers as well as random or correlated initial distribution of vacancies and interstitials are considered. The inter­ action between the defects is taken into account by a model for the pair volume surrounding a vacancy.

Computer simulation of local atomic displacements in alloys. Application to Guinier–Preston zones in Al–Cu

1994 ◽  
Vol 27 (5) ◽  
pp. 772-781 ◽  
Author(s):  
J. Kyobu ◽  
Y. Murata ◽  
M. Morinaga
Keyword(s):  
Short Range ◽  
Structural Models ◽  
Single Layer ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Lattices ◽  
Atomic Displacements ◽  
Cu Alloy ◽  
Combined Use ◽  
Face Centered

A new computer program has been developed for the simulation of local atomic displacements in alloys with face-centered-cubic and body-centered-cubic lattices. The combined use of this program with the Gehlen–Cohen program for the simulation of chemical short-range order completely describes atomic fluctuations in alloys. The method has been applied to the structural simulation of Guinier–Preston (GP) zones in an Al–Cu alloy, using the experimental data of Matsubara & Cohen [Acta Metall. (1985), 33, 1945–1955]. Characteristic displacements of atoms have been observed around the GP zones and new structural models including local displacements have been proposed for a single-layer zone and several multilayer zones.

Voids in Irradiated Tungsten and Molybdenum

1969 ◽  
Vol 27 ◽  
pp. 190-191
Author(s):  
Robert C. Rau ◽  
Robert L. Ladd
Keyword(s):  
Melting Point ◽  
Fast Neutron ◽  
Neutron Irradiation ◽  
Elevated Temperatures ◽  
Irradiation Temperature ◽  
The Body ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Cubic Metals ◽  
Face Centered

Recent studies have shown the presence of voids in several face-centered cubic metals after neutron irradiation at elevated temperatures. These voids were found when the irradiation temperature was above 0.3 Tm where Tm is the absolute melting point, and were ascribed to the agglomeration of lattice vacancies resulting from fast neutron generated displacement cascades. The present paper reports the existence of similar voids in the body-centered cubic metals tungsten and molybdenum.

scholarly journals Irradiation Behaviors in BCC Multi-Component Alloys with Different Lattice Distortions

Metals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 706
Author(s):  
Yue Su ◽  
Songqin Xia ◽  
Jia Huang ◽  
Qingyuan Liu ◽  
Haocheng Liu ◽  
...  
Keyword(s):  
Single Phase ◽  
Vacuum Arc ◽  
Face Centered Cubic ◽  
Body Centered Cubic ◽  
Chemical Complexity ◽  
Arc Melting ◽  
Vacuum Arc Melting ◽  
Lattice Distortions ◽  
Face Centered ◽  
Displacement Per Atom

Recently, the irradiation behaviors of multi-component alloys have stimulated an increasing interest due to their ability to suppress the growth of irradiation defects, though the mostly studied alloys are limited to face centered cubic (fcc) structured multi-component alloys. In this work, two single-phase body centered cubic (bcc) structured multi-component alloys (CrFeV, AlCrFeV) with different lattice distortions were prepared by vacuum arc melting, and the reference of α-Fe was also prepared. After 6 MeV Au ions irradiation to over 100 dpa (displacement per atom) at 500 °C, the bcc structured CrFeV and AlCrFeV exhibited significantly improved irradiation swelling resistance compared to α-Fe, especially AlCrFeV. The AlCrFeV alloy possesses superior swelling resistance, showing no voids compared to α-Fe and CrFeV alloy, and scarce irradiation softening appears in AlCrFeV. Owing to their chemical complexity, it is believed that the multi-component alloys under irradiation have more defect recombination and less damage accumulation. Accordingly, we discuss the origin of irradiation resistance and the Al effect in the studied bcc structured multi-component alloys.

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