Short-Range Chemical Order and Local Lattice Distortion in a Compositionally Complex Al 8Cr 17Co 17Cu 8Fe 17Ni 33 Alloy

2019 ◽  
Author(s):  
Andrea Fantin ◽  
Giovanni Orazio Lepore ◽  
Anna M. Manzoni ◽  
Sergey Kasatikov ◽  
Tobias Scherb ◽  
...  
2020 ◽  
Vol 193 ◽  
pp. 329-337 ◽  
Author(s):  
Andrea Fantin ◽  
Giovanni Orazio Lepore ◽  
Anna M. Manzoni ◽  
Sergey Kasatikov ◽  
Tobias Scherb ◽  
...  

2020 ◽  
Author(s):  
Yuan-Yuan Tan ◽  
Ming-Yao Su ◽  
Zhou-Can Xie ◽  
Zhong-Jun Chen ◽  
Yu Gong ◽  
...  

2013 ◽  
Vol 82 (9) ◽  
pp. 094601 ◽  
Author(s):  
Katsuaki Kodama ◽  
Naoki Igawa ◽  
Shin-ichi Shamoto ◽  
Kazutaka Ikeda ◽  
Hidetoshi Oshita ◽  
...  

Author(s):  
TETSUO MOHRI

Cluster Variation Method (CVM) is a powerful statistical mechanics means to investigate phase equilibria of an alloy. The advantageous feature of the CVM stems from the fact that wide range of atomic correlations which play an important role at the phase transition is efficiently incorporated into the free energy formula. Hence, configurational fluctuation can be systematically studied through the calculations of correlation functions in the real space and short range order diffuse intensity spectrum in the k-space. However, one of the deficiencies of the conventional CVM is the fact that local lattice distortion (local atomic displacement) is not correctly dealt with. In order to improve such shortcomings, Continuous Displacement Cluster Variation Method (CDCVM) has been developed. In the CDCVM, local lattice distortion is mapped onto the configurational freedom of a multi-component alloy on a rigid (uniformly deformable) lattice. With CDCVM, the applicability of CVM is enlarged and the calculations of diffuse intensity spectrum originating from local lattice distortion can be performed.


2021 ◽  
pp. 117135
Author(s):  
Hyun Seok Oh ◽  
Khorgolkhuu Odbadrakh ◽  
Yuji Ikeda ◽  
Sai Mu ◽  
Fritz Körmann ◽  
...  

2006 ◽  
Vol 61 (1-2) ◽  
pp. 78-82 ◽  
Author(s):  
Shao-Yi Wu ◽  
Xiu-Ying Gao ◽  
Hui-Ning Dong

The local lattice distortion at the trigonal Cr3+ center in BiI3 is theoretically studied by the perturbation formulas of the EPR parameters for a 3d3 ion in trigonal symmetry, based on the cluster approach. In these formulas the contributions from the s-orbitals of the ligands, which were often ignored, are taken into account. It is found that the local angle β (between the direction of the impurityligand bonding R and the C3 axis) in the impurity center is smaller than the host angle βH in the pure crystal. The calculated EPR parameters are improved compared to those in absence of the ligand s-orbital contributions. The local lattice distortion obtained in this work is discussed.


Entropy ◽  
2018 ◽  
Vol 20 (12) ◽  
pp. 900 ◽  
Author(s):  
Fuxiang Zhang ◽  
Yang Tong ◽  
Ke Jin ◽  
Hongbin Bei ◽  
William Weber ◽  
...  

In the present study, we have revealed that (NiCoFeCr)100−xPdx (x= 1, 3, 5, 20 atom%) high-entropy alloys (HEAs) have both local- and long-range lattice distortions by utilizing X-ray total scattering, X-ray diffraction, and extended X-ray absorption fine structure methods. The local lattice distortion determined by the lattice constant difference between the local and average structures was found to be proportional to the Pd content. A small amount of Pd-doping (1 atom%) yields long-range lattice distortion, which is demonstrated by a larger (200) lattice plane spacing than the expected value from an average structure, however, the degree of long-range lattice distortion is not sensitive to the Pd concentration. The structural stability of these distorted HEAs under high-pressure was also examined. The experimental results indicate that doping with a small amount of Pd significantly enhances the stability of the fcc phase by increasing the fcc-to-hcp transformation pressure from ~13.0 GPa in NiCoFeCr to 20–26 GPa in the Pd-doped HEAs and NiCoFeCrPd maintains its fcc lattice up to 74 GPa, the maximum pressure that the current experiments have reached.


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