First-principles Calculations of Ordering Behavior and Mechanical Properties of Al3(Sc0.75M0.25)(M=Ti, Y, Zr and Hf) Intermetallics - Details

author：

Indexed by：

EI PKU CSCD

Abstract：

The　ordering　behavior　and　the　mechanical　properties　of　the　doped　L12　type　Al3Sc-based　intermetallics　were　studied　by　sublattice　model　supported　by　first-principles　calculations.　The　results　show　that　the　intermetallics　Al3Sc　is　a　fully　ordered　intermetallics,　where　Al　atoms　always　occupy　the　3c　sublattice　and　Sc　atoms　always　occupy　the　1a　sublattice.　L12-Al3(Sc0.75M0.25)　intermetallics　(where　M=Y,　Ti,　Zr　and　Hf)　is　a　fully　ordered　intermetallics,　where　M　always　occupies　the　1a　sublattice.　The　site　preference　of　these　alloying　elements　is　independent　of　the　heat　treatment　temperature.　L12-Al3(Sc0.75M0.25)　intermetallics　satisfy　the　mechanical　stability　conditions.　The　shear　modulus,　elastic　modulus,　Young＇s　modulus　and　the　hardness　of　L12-Al3(Sc0.75Y0.25)　intermetallics　are　smaller　than　those　of　L12-Al3Sc.　While　the　shear　modulus,　elastic　modulus,　Young＇s　modulus　and　the　hardness　of　L12-Al3(Sc0.75M0.25)　intermetallics,　where　M=Ti,　Zr　or　Hf,　decrease　with　increasing　the　atomic　radius.　L12-Al3(Sc0.75Ti0.25)　has　the　best　plasticity　and　toughness　compared　with　other　L12-Al3(Sc0.75M0.25).　©　2019,　Science　Press.　All　right　reserved.

Keyword：

Alloying elements Atoms Binary alloys Calculations Elastic moduli Hardness Intermetallics Mechanical properties Mechanical stability Scandium alloys Shear strain Zirconium

Community：

[ 1 ] [Zhou, Zeyou]State Grid Fujian Electric Power Research Institute, Fuzhou; 350007, China
[ 2 ] [Wu, Bo]School of Materials Science & Engineering, Fuzhou University, Fuzhou; 350108, China
[ 3 ] [Zheng, Xiaoqing]Fujian Jiangxia University, Fuzhou; 350108, China
[ 4 ] [Hu, Kangming]School of Materials Science & Engineering, Fuzhou University, Fuzhou; 350108, China
[ 5 ] [Chen, Kailu]State Grid Fujian Electric Power Research Institute, Fuzhou; 350007, China
[ 6 ] [Chen, Chaoyang]State Grid Fujian Electric Power Research Institute, Fuzhou; 350007, China
[ 7 ] [Chen, Tong]State Grid Fujian Electric Power Research Institute, Fuzhou; 350007, China
[ 8 ] [Huang, Weilin]State Grid Fujian Electric Power Research Institute, Fuzhou; 350007, China

Reprint 's Address：

[wu, bo]school of materials science & engineering, fuzhou university, fuzhou; 350108, china

Email：

wubo@fzu.edu.cn

Show more details

Related Keywords：

On the site ordering behaviors of elements in Ti3Al and Tl 2AlNb-based intermetallics by using sublattice model supported with ab initio calculations
2012，12th World Conference on Titanium, Ti 2011
Prediction of phase structure and phase transition of Ti2AlNb-based alloy
2009，Transactions of Materials and Heat Treatment
First-principles Calculations of Ordering Behavior and Mechanical Properties of Al-3(Sc0.75M0.25)(M=Ti, Y, Zr and Hf) Intermetallics
2019，RARE METAL MATERIALS AND ENGINEERING
First-principles Calculations of Ordering Behavior and Mechanical Properties of Al3(Sc0.75M0.25)(M=Ti, Y, Zr and Hf) Intermetallics [Al3(Sc0.75M0.25)(M=Ti, Y, Zr, Hf)金属间化合物有序化行为和力学性能的第一性原理计算]
2019，Rare Metal Materials and Engineering
Atomic arrangement and mechanical properties of high-entropy nonoxide ceramics simulated via location preference-based disordered random structure
2024，Journal of Alloys and Compounds

Source ：

Rare Metal Materials and Engineering

ISSN： 1002-185X

Year： 2019

Issue： 3

Volume： 48

Page： 879-884

0 . 4 8 5

JCR@2019

0 . 6 0 0

JCR@2023

ESI HC Threshold：236

JCR Journal Grade：4

CAS Journal Grade：4

Cited Count：

WoS CC Cited Count： 0

SCOPUS Cited Count：

ESI Highly Cited Papers on the List： 0 Unfold All

WanFang Cited Count：

Chinese Cited Count：

30 Days PV： 1

Affiliated Colleges：

Get Fulltext

Library Discovery Baidu Scholar Search Engineering Village

Type
Departments

All Years Choose Year From to