Simulation of structural transformation in aragonite CaCO3

Jianjun Liu; M. M. Ossowski; J. R. Hardy; Chun Gang Duan; W. N. Mei

doi:10.1063/1.1324472

Simulation of structural transformation in aragonite CaCO₃

Jianjun Liu
, M. M. Ossowski
, J. R. Hardy
, Chun Gang Duan
, W. N. Mei

University of Nebraska-Lincoln
University of Nebraska Omaha

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

4 Scopus citations

Abstract

The structural transformation in aragonite CaCO₃a is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kirn modified electron gas formalism. We found two phase transitions in aragonite at high temperature.

Original language	English
Title of host publication	Fundamental Physics of Ferroelectrics 2000
Subtitle of host publication	Aspen Center for Physics Winter Workshop
Editors	Ronald E. Cohen, Richard A. Mewaldt
Publisher	American Institute of Physics Inc.
Pages	338-343
Number of pages	6
ISBN (Electronic)	1563969599
DOIs	https://doi.org/10.1063/1.1324472
State	Published - 12 Sep 2000
Externally published	Yes
Event	Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 - Aspen, United States Duration: 13 Feb 2000 → 20 Feb 2000

Publication series

Name	AIP Conference Proceedings
Volume	535
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000
Country/Territory	United States
City	Aspen
Period	13/02/00 → 20/02/00

Access to Document

10.1063/1.1324472

Cite this

Liu, J., Ossowski, M. M., Hardy, J. R., Duan, C. G., & Mei, W. N. (2000). Simulation of structural transformation in aragonite CaCO₃. In R. E. Cohen, & R. A. Mewaldt (Eds.), Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop (pp. 338-343). (AIP Conference Proceedings; Vol. 535). American Institute of Physics Inc.. https://doi.org/10.1063/1.1324472

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title = "Simulation of structural transformation in aragonite CaCO3",

abstract = "The structural transformation in aragonite CaCO3a is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kirn modified electron gas formalism. We found two phase transitions in aragonite at high temperature.",

author = "Jianjun Liu and Ossowski, \{M. M.\} and Hardy, \{J. R.\} and Duan, \{Chun Gang\} and Mei, \{W. N.\}",

note = "Publisher Copyright: {\textcopyright} 2000 American Institute of Physics.; Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 ; Conference date: 13-02-2000 Through 20-02-2000",

year = "2000",

month = sep,

day = "12",

doi = "10.1063/1.1324472",

language = "英语",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

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editor = "Cohen, \{Ronald E.\} and Mewaldt, \{Richard A.\}",

booktitle = "Fundamental Physics of Ferroelectrics 2000",

}

Liu, J, Ossowski, MM, Hardy, JR, Duan, CG & Mei, WN 2000, Simulation of structural transformation in aragonite CaCO₃. in RE Cohen & RA Mewaldt (eds), Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop. AIP Conference Proceedings, vol. 535, American Institute of Physics Inc., pp. 338-343, Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000, Aspen, United States, 13/02/00. https://doi.org/10.1063/1.1324472

Simulation of structural transformation in aragonite CaCO₃. / Liu, Jianjun; Ossowski, M. M.; Hardy, J. R. et al.
Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop. ed. / Ronald E. Cohen; Richard A. Mewaldt. American Institute of Physics Inc., 2000. p. 338-343 (AIP Conference Proceedings; Vol. 535).

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

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AB - The structural transformation in aragonite CaCO3a is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon-Kirn modified electron gas formalism. We found two phase transitions in aragonite at high temperature.

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