Elastic constants of magnesium compounds from first-principles calculations

S. Ganeshan; H. Zhang; S. Shang; Y. Wang; Z. K. Liu

Elastic constants of magnesium compounds from first-principles calculations

S. Ganeshan, H. Zhang, S. Shang, Y. Wang, Z. K. Liu

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

The deformation behaviors of second phases are important in understanding the mechanical properties of Mg alloys. In the present work, the elastic constants of magnesium based binary compounds have been predicted from first principles calculations using the stress strain method [1]. The Mg-X systems that have been investigated in the present work include Mg-As, -Ba, -Ca, - Cd, -Cu, -Dy, -Ga, -Ge, -La, -Ni, -Pb, -Sb, -Si, -Sn and -Y. A comparative study between the results obtained in the current work and the available experimental data has been made. The accuracy in the calculated data sets off a landmark to use the same for any future work incorporating the design of Mg based alloys.

Original language	English (US)
Title of host publication	Magnesium Technology 2008
Pages	91-93
Number of pages	3
State	Published - 2008
Event	Magnesium Technology 2008 - New Orleans, LA, United States Duration: Mar 9 2008 → Mar 13 2008

Publication series

Name	Magnesium Technology
ISSN (Print)	1545-4150

Other

Other	Magnesium Technology 2008
Country/Territory	United States
City	New Orleans, LA
Period	3/9/08 → 3/13/08

All Science Journal Classification (ASJC) codes

General Engineering

Cite this

@inproceedings{b459ab4ea1b84f7e96e1167532fdab54,

title = "Elastic constants of magnesium compounds from first-principles calculations",

abstract = "The deformation behaviors of second phases are important in understanding the mechanical properties of Mg alloys. In the present work, the elastic constants of magnesium based binary compounds have been predicted from first principles calculations using the stress strain method [1]. The Mg-X systems that have been investigated in the present work include Mg-As, -Ba, -Ca, - Cd, -Cu, -Dy, -Ga, -Ge, -La, -Ni, -Pb, -Sb, -Si, -Sn and -Y. A comparative study between the results obtained in the current work and the available experimental data has been made. The accuracy in the calculated data sets off a landmark to use the same for any future work incorporating the design of Mg based alloys.",

author = "S. Ganeshan and H. Zhang and S. Shang and Y. Wang and Liu, {Z. K.}",

note = "Funding Information: This work has been jointly funded by TUBITAK (YDABCAG-635) and ZKU Scientific Research Projects Unit (97-115-001-12). Their financial support which was essential for the development of test equipment is gratefully acknowledged. The authors thank Prof. A. G. Pasamehmetoglu for his valuable suggestions and help.; Magnesium Technology 2008 ; Conference date: 09-03-2008 Through 13-03-2008",

year = "2008",

language = "English (US)",

isbn = "9780873397117",

series = "Magnesium Technology",

pages = "91--93",

booktitle = "Magnesium Technology 2008",

}

TY - GEN

T1 - Elastic constants of magnesium compounds from first-principles calculations

AU - Ganeshan, S.

AU - Zhang, H.

AU - Shang, S.

AU - Wang, Y.

AU - Liu, Z. K.

N1 - Funding Information: This work has been jointly funded by TUBITAK (YDABCAG-635) and ZKU Scientific Research Projects Unit (97-115-001-12). Their financial support which was essential for the development of test equipment is gratefully acknowledged. The authors thank Prof. A. G. Pasamehmetoglu for his valuable suggestions and help.

PY - 2008

Y1 - 2008

N2 - The deformation behaviors of second phases are important in understanding the mechanical properties of Mg alloys. In the present work, the elastic constants of magnesium based binary compounds have been predicted from first principles calculations using the stress strain method [1]. The Mg-X systems that have been investigated in the present work include Mg-As, -Ba, -Ca, - Cd, -Cu, -Dy, -Ga, -Ge, -La, -Ni, -Pb, -Sb, -Si, -Sn and -Y. A comparative study between the results obtained in the current work and the available experimental data has been made. The accuracy in the calculated data sets off a landmark to use the same for any future work incorporating the design of Mg based alloys.

AB - The deformation behaviors of second phases are important in understanding the mechanical properties of Mg alloys. In the present work, the elastic constants of magnesium based binary compounds have been predicted from first principles calculations using the stress strain method [1]. The Mg-X systems that have been investigated in the present work include Mg-As, -Ba, -Ca, - Cd, -Cu, -Dy, -Ga, -Ge, -La, -Ni, -Pb, -Sb, -Si, -Sn and -Y. A comparative study between the results obtained in the current work and the available experimental data has been made. The accuracy in the calculated data sets off a landmark to use the same for any future work incorporating the design of Mg based alloys.

UR - http://www.scopus.com/inward/record.url?scp=45749116957&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=45749116957&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:45749116957

SN - 9780873397117

T3 - Magnesium Technology

SP - 91

EP - 93

BT - Magnesium Technology 2008

T2 - Magnesium Technology 2008

Y2 - 9 March 2008 through 13 March 2008

ER -

Elastic constants of magnesium compounds from first-principles calculations

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