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Simulation of mechanical behavior of...

Chang, I-Ling.

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Simulation of mechanical behavior of nanomaterials by molecular statics.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Simulation of mechanical behavior of nanomaterials by molecular statics./
Author:	Chang, I-Ling.
Description:	142 p.
Notes:	Source: Dissertation Abstracts International, Volume: 65-11, Section: B, page: 5785.
Contained By:	Dissertation Abstracts International65-11B.
Subject:	Physics, Atomic. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3154599
ISBN:	0496151258

Simulation of mechanical behavior of nanomaterials by molecular statics.
Chang, I-Ling.

Simulation of mechanical behavior of nanomaterials by molecular statics. - 142 p.

Source: Dissertation Abstracts International, Volume: 65-11, Section: B, page: 5785.

Thesis (Ph.D.)--Purdue University, 2004.

Standalone films with thickness around nanometer under different loading conditions have been analyzed using molecular statics with embedded-atom-method (EAM) potentials to study the size dependence of mechanical properties (both elastic and plastic). It was found that the mechanical properties are highly size dependent at nano scale and the dependence would be different depending on the loading condition and crystal orientation. It was also observed that the elastic constants for the nano film at some crystal orientations and loading conditions could exceed their bulk values. The wavy film was also considered to study the surface roughness effect on the nucleation of dislocations.

ISBN: 0496151258Subjects--Topical Terms:

1029235
Physics, Atomic.

Simulation of mechanical behavior of nanomaterials by molecular statics.
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100 1 $a Chang, I-Ling. $3 1938402
245 1 0 $a Simulation of mechanical behavior of nanomaterials by molecular statics.
300 $a 142 p.
500 $a Source: Dissertation Abstracts International, Volume: 65-11, Section: B, page: 5785.
500 $a Major Professor: C. T. Sun.
502 $a Thesis (Ph.D.)--Purdue University, 2004.
520 $a Standalone films with thickness around nanometer under different loading conditions have been analyzed using molecular statics with embedded-atom-method (EAM) potentials to study the size dependence of mechanical properties (both elastic and plastic). It was found that the mechanical properties are highly size dependent at nano scale and the dependence would be different depending on the loading condition and crystal orientation. It was also observed that the elastic constants for the nano film at some crystal orientations and loading conditions could exceed their bulk values. The wavy film was also considered to study the surface roughness effect on the nucleation of dislocations.
520 $a The dislocation problem in film and substrate system was also studied. In this research, continuum model based on the distortional energy was proposed for determining the film critical thickness. It was found that, in comparison with other existing continuum models, the distortional energy model could significantly improve the accuracy in critical thickness predictions. The surface roughness effect on the dislocation nucleation in the film-substrate system was also examined using molecular statics.
520 $a Different interfaces (coherent and incoherent) were constructed to study the size effect for multilayer system. The elastic properties over a range of modulation wavelengths were calculated. It was found that no enhancements of the elastic constants were found for either incoherent or coherent interface. Meanwhile, some issues related to the molecular study with the adoption of different interatomic potential, i.e. pair Morse and many-body EAM potential, on the prediction of mechanical properties were also discussed. The molecular statics results with both EAM potentials and Morse potentials showed similar trend in the size dependence of mechanical properties, both elastic and plastic, even though the molecular calculation adopting Morse potential tended to overestimate the values.
590 $a School code: 0183.
650 4 $a Physics, Atomic. $3 1029235
650 4 $a Physics, Molecular. $3 1018648
690 $a 0748
690 $a 0609
710 2 0 $a Purdue University. $3 1017663
773 0 $t Dissertation Abstracts International $g 65-11B.
790 1 0 $a Sun, C. T., $e advisor
790 $a 0183
791 $a Ph.D.
792 $a 2004
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3154599