A THEORETICAL STUDY OF ZEOLITE ABW: ITS MECHANICAL AND AUXETIC PROPERTIES

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MOHAMED SALAH KARMOUS

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Journal Paper

Paper Information

Journal: Iranian Journal of Materials Science and Engineering Year:2012 | Volume:9 | Issue:2 Page(s): 30-35

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Title

A THEORETICAL STUDY OF ZEOLITE ABW: ITS MECHANICAL AND AUXETIC PROPERTIES

Author(s)

MOHAMED SALAH KARMOUS | Issue Writer Certificate

Keywords

ELASTIC CONSTANT

AUXETIC

ZEOLITE

GULP

SIMULATION

ENERGY MINIMIZATION

Abstract

Atomistic SIMULATIONs are carried out for ZEOLITE with ABW framework. The structure is modeled and force field SIMULATIONs are preformed to investigate its elastic properties, bulk, shear modulus and AUXETICity. Bulk moduli (Ks), Shear moduli (G), and Poissons ratios (ν) were found to be Ks=79.71725 GPa, G=16.93265 GPa, vxy=-0.2207, vxz=-0.5730, vyx=-0.71717, vyz=0.87013, vzx=-0.33097 and vzy=1.54568 for ABW, the negative value of Poisson's ratios reflects an AUXETIC behavior of material. An evaluation of the directional young's moduli shows that the compressibility of ABW is not uniform along [100], [010] and [001] axes.All calculations were performed using GULP program.

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APA: Copy

MOHAMED SALAH, KARMOUS. (2012). A THEORETICAL STUDY OF ZEOLITE ABW: ITS MECHANICAL AND AUXETIC PROPERTIES. IRANIAN JOURNAL OF MATERIALS SCIENCE AND ENGINEERING, 9(2), 30-35. SID. https://sid.ir/paper/276802/en

Vancouver: Copy

MOHAMED SALAH KARMOUS. A THEORETICAL STUDY OF ZEOLITE ABW: ITS MECHANICAL AND AUXETIC PROPERTIES. IRANIAN JOURNAL OF MATERIALS SCIENCE AND ENGINEERING[Internet]. 2012;9(2):30-35. Available from: https://sid.ir/paper/276802/en

IEEE: Copy

KARMOUS MOHAMED SALAH, “A THEORETICAL STUDY OF ZEOLITE ABW: ITS MECHANICAL AND AUXETIC PROPERTIES,” IRANIAN JOURNAL OF MATERIALS SCIENCE AND ENGINEERING, vol. 9, no. 2, pp. 30–35, 2012, [Online]. Available: https://sid.ir/paper/276802/en

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