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Calculation of Elastic Bond Constants in Atomistic Strain Analysis.

Chen H, Wang J, Ashalley E, Li H, Niu X - Nanoscale Res Lett (2015)

Bottom Line: At the atomistic level, this approach is within the framework of linear elastic theory and encompasses the neighbor interactions when an atom is introduced to stress.Departing from the force equilibrium equations, the relationships between ν, K, and spring constants are successfully established.Both the two-dimensional (2D) square lattice and common three-dimensional (3D) structures are taken into account in the procedure for facilitating, bridging the gap between structural complexity and numerical experiments.

View Article: PubMed Central - PubMed

Affiliation: State Key Laboratory of Electronic Thin Film and Integrated Devices, University of Electronic Science and Technology of China, Chengdu, 610054, China.

ABSTRACT
Strain analysis has significance both for tailoring material properties and designing nanoscale devices. In particular, strain plays a vital role in engineering the growth thermodynamics and kinetics and is applicable for designing optoelectronic devices. In this paper, we present a methodology for establishing the relationship between elastic bond constants and measurable parameters, i.e., Poisson's ratio ν and systematic elastic constant K. At the atomistic level, this approach is within the framework of linear elastic theory and encompasses the neighbor interactions when an atom is introduced to stress. Departing from the force equilibrium equations, the relationships between ν, K, and spring constants are successfully established. Both the two-dimensional (2D) square lattice and common three-dimensional (3D) structures are taken into account in the procedure for facilitating, bridging the gap between structural complexity and numerical experiments. A new direction for understanding the physical phenomena in strain engineering is established.

No MeSH data available.


Related in: MedlinePlus

Schematic structures of a simple cubic, b body-centered cubic, c face-centered cubic, d diamond, and e hexagonal close-packed lattices
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Fig2: Schematic structures of a simple cubic, b body-centered cubic, c face-centered cubic, d diamond, and e hexagonal close-packed lattices

Mentions: Having set up the 2D square lattice as a reference, we now derive the expressions of spring constants in terms of the Poisson’s ratio for common 3D crystal structures (shown in Fig. 2) following the established procedure.Fig. 2


Calculation of Elastic Bond Constants in Atomistic Strain Analysis.

Chen H, Wang J, Ashalley E, Li H, Niu X - Nanoscale Res Lett (2015)

Schematic structures of a simple cubic, b body-centered cubic, c face-centered cubic, d diamond, and e hexagonal close-packed lattices
© Copyright Policy - OpenAccess
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4608958&req=5

Fig2: Schematic structures of a simple cubic, b body-centered cubic, c face-centered cubic, d diamond, and e hexagonal close-packed lattices
Mentions: Having set up the 2D square lattice as a reference, we now derive the expressions of spring constants in terms of the Poisson’s ratio for common 3D crystal structures (shown in Fig. 2) following the established procedure.Fig. 2

Bottom Line: At the atomistic level, this approach is within the framework of linear elastic theory and encompasses the neighbor interactions when an atom is introduced to stress.Departing from the force equilibrium equations, the relationships between ν, K, and spring constants are successfully established.Both the two-dimensional (2D) square lattice and common three-dimensional (3D) structures are taken into account in the procedure for facilitating, bridging the gap between structural complexity and numerical experiments.

View Article: PubMed Central - PubMed

Affiliation: State Key Laboratory of Electronic Thin Film and Integrated Devices, University of Electronic Science and Technology of China, Chengdu, 610054, China.

ABSTRACT
Strain analysis has significance both for tailoring material properties and designing nanoscale devices. In particular, strain plays a vital role in engineering the growth thermodynamics and kinetics and is applicable for designing optoelectronic devices. In this paper, we present a methodology for establishing the relationship between elastic bond constants and measurable parameters, i.e., Poisson's ratio ν and systematic elastic constant K. At the atomistic level, this approach is within the framework of linear elastic theory and encompasses the neighbor interactions when an atom is introduced to stress. Departing from the force equilibrium equations, the relationships between ν, K, and spring constants are successfully established. Both the two-dimensional (2D) square lattice and common three-dimensional (3D) structures are taken into account in the procedure for facilitating, bridging the gap between structural complexity and numerical experiments. A new direction for understanding the physical phenomena in strain engineering is established.

No MeSH data available.


Related in: MedlinePlus