MEAM simulation of distribution of Nb atoms in TiAl+Nb system

Xiaodong Ni; Guoliang Chen; Xitao Wang; Xudong Hui

MEAM simulation of distribution of Nb atoms in TiAl+Nb system

Xiaodong Ni^*
, Guoliang Chen
, Xitao Wang
, Xudong Hui

^*Corresponding author for this work

University of Science and Technology Beijing

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

An accurate MEAM (modified embedded atom method) potential including angular dependence for TiAl compound has been developed. The properties of TiAl compound can be reproduced well. With this potential, the distribution of Nb atoms in L1₀ type TiAl compound with various compositions is calculated by using an average-atom model similar to B-W (Bragg-Williams) method. The results of calculation show that Nb atoms prefer to occupy the Ti sublattice of L1₀ structure, and with the atomic percent increase of Nb and Al, Nb atoms exhibit a trend of ordered distribution in Ti sublattice, resulting in the formation of L1₀ derivative superlattice structure.

Original language	English
Pages (from-to)	S1-S7
Journal	Journal of Materials Science and Technology
Volume	17
Issue number	SUPPL.
State	Published - Oct 2001
Externally published	Yes

Cite this

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title = "MEAM simulation of distribution of Nb atoms in TiAl+Nb system",

abstract = "An accurate MEAM (modified embedded atom method) potential including angular dependence for TiAl compound has been developed. The properties of TiAl compound can be reproduced well. With this potential, the distribution of Nb atoms in L10 type TiAl compound with various compositions is calculated by using an average-atom model similar to B-W (Bragg-Williams) method. The results of calculation show that Nb atoms prefer to occupy the Ti sublattice of L10 structure, and with the atomic percent increase of Nb and Al, Nb atoms exhibit a trend of ordered distribution in Ti sublattice, resulting in the formation of L10 derivative superlattice structure.",

author = "Xiaodong Ni and Guoliang Chen and Xitao Wang and Xudong Hui",

year = "2001",

month = oct,

language = "英语",

volume = "17",

pages = "S1--S7",

journal = "Journal of Materials Science and Technology",

issn = "1005-0302",

publisher = "Chinese Society of Metals",

number = "SUPPL.",

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TY - JOUR

T1 - MEAM simulation of distribution of Nb atoms in TiAl+Nb system

AU - Ni, Xiaodong

AU - Chen, Guoliang

AU - Wang, Xitao

AU - Hui, Xudong

PY - 2001/10

Y1 - 2001/10

N2 - An accurate MEAM (modified embedded atom method) potential including angular dependence for TiAl compound has been developed. The properties of TiAl compound can be reproduced well. With this potential, the distribution of Nb atoms in L10 type TiAl compound with various compositions is calculated by using an average-atom model similar to B-W (Bragg-Williams) method. The results of calculation show that Nb atoms prefer to occupy the Ti sublattice of L10 structure, and with the atomic percent increase of Nb and Al, Nb atoms exhibit a trend of ordered distribution in Ti sublattice, resulting in the formation of L10 derivative superlattice structure.

AB - An accurate MEAM (modified embedded atom method) potential including angular dependence for TiAl compound has been developed. The properties of TiAl compound can be reproduced well. With this potential, the distribution of Nb atoms in L10 type TiAl compound with various compositions is calculated by using an average-atom model similar to B-W (Bragg-Williams) method. The results of calculation show that Nb atoms prefer to occupy the Ti sublattice of L10 structure, and with the atomic percent increase of Nb and Al, Nb atoms exhibit a trend of ordered distribution in Ti sublattice, resulting in the formation of L10 derivative superlattice structure.

UR - https://www.scopus.com/pages/publications/0035496830

M3 - 文章

AN - SCOPUS:0035496830

SN - 1005-0302

VL - 17

SP - S1-S7

JO - Journal of Materials Science and Technology

JF - Journal of Materials Science and Technology

IS - SUPPL.

ER -

MEAM simulation of distribution of Nb atoms in TiAl+Nb system

Abstract

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