Mechanical Behavior of Atoms Using Atomic-scale Finite Element Method

Damasceno, Daniela Andrade; Rajapakse, R. K. N. D.; Mesquita, Euclides Mesquita

doi:10.20906/cps/cilamce2015-0892

Procedings of the XXXVI Iberian Latin American Congress on Computational Methods in Engineering

2015

DOI: 10.20906/cps/cilamce2015-0892

|View full text |Cite

Mechanical Behavior of Atoms Using Atomic-scale Finite Element Method

Daniela Andrade Damasceno¹,

R. K. N. D. Rajapakse²,

Euclides Mesquita Mesquita³

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2017

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In order to overcome this challenge, the Atomic-scale Finite Element Method (AFEM) was developed and applied for multiscale analysis of carbon nanotubes (CNTs) by Liu and his co-authors (Liu et al, 2004;Liu et al, 2005). Presently, the AFEM can model and analyze the mechanical behavior of many materials at the nanoscale (Malakouti, 2006;Tao et al, 2016;Damasceno et al, 2015).…”

mentioning

confidence: 99%

Mechanical Behavior of Nano Structures Using Atomic-Scale Finite Element Method (AFEM)

Damasceno

Mesquita

Rajapakse

2017

Lat. Am. j. solids struct.

View full text Add to dashboard Cite

This work presents a detailed description of the formulation and implementation of the Atomistic Finite Element Method AFEM, exemplified in the analysis of one-and two-dimensional atomic domains governed by the Lennard Jones interatomic potential. The methodology to synthesize element stiffness matrices and load vectors, the potential energy modification of the atomistic finite elements (AFE) to account for boundary edge effects, the inclusion of boundary conditions is carefully described. The conceptual relation between the cut-off radius of interatomic potentials and the number of nodes in the AFE is addressed and exemplified for the 1D case. For the 1D case elements with 3, 5 and 7 nodes were addressed. The AFEM has been used to describe the mechanical behavior of one-dimensional atomic arrays as well as twodimensional lattices of atoms. The examples also included the analysis of pristine domains, as well as domains with missing atoms, defects, or vacancies. Results are compared with classical molecular dynamic simulations (MD) performed using a commercial package. The results have been very encouraging in terms of accuracy and in the computational effort necessary to execute both methodologies, AFEM and MD. The methodology can be expanded to model any domain described by an interatomic energy potential.

show abstract

mentioning

confidence: 99%

Mechanical Behavior of Nano Structures Using Atomic-Scale Finite Element Method (AFEM)

Damasceno

Mesquita

Rajapakse

2017

Lat. Am. j. solids struct.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Mechanical Behavior of Atoms Using Atomic-scale Finite Element Method

Cited by 1 publication

References 0 publications

Mechanical Behavior of Nano Structures Using Atomic-Scale Finite Element Method (AFEM)

Mechanical Behavior of Nano Structures Using Atomic-Scale Finite Element Method (AFEM)

Contact Info

Product

Resources

About