Corpus ID: 237562833

MEAM parameterization for cyclic and tensile deformations of Gold-Silver core-shell systems

@inproceedings{Alvi2021MEAMPF,
  title={MEAM parameterization for cyclic and tensile deformations of Gold-Silver core-shell systems},
  author={Sk Md Ahnaf Akif Alvi and Abrar Faiyad and Md. Adnan Mahathir Munshi and Mohammad Motalab and Md Mahbubul Islam and Sourav Saha},
  year={2021}
}
Gold-Silver (Au-Ag) core-shell nanostructures are gaining importance in stretchable electronics where high tensile and fatigue resistance is of paramount importance. This work proposes the parameterization of a modified embedded atomic model (MEAM) interatomic potential through density functional theory (DFT) calculations for investigating the role of dislocations and defect interaction governing the mechanical behavior of Au-Ag and Ag-Au Core-shell nanostructures under tensile and fatigue… Expand

References

SHOWING 1-10 OF 114 REFERENCES
Deformation Mechanisms and Dislocations in Nickel–Cobalt Core–Shell Nanowires Under Uniaxial Tensile Loading—A Molecular Dynamics Modeling Analysis
One-Dimensional nanostructures are of great importance due to their unique electrical, magnetic and mechanical properties. Because of the size constraints, it is impractical to obtain and understandExpand
Structural evolution of copper-silver bimetallic nanowires with core-shell structure revealed by molecular dynamics simulations
Abstract The molecular dynamics simulation method is used to investigate the tensile deformation mechanism of Cu-Ag core-shell nanowires. The results for the actual structure of the Cu-Ag core-shellExpand
Modeling inelasticity and failure in gold nanowires
We present numerical simulations of gold nanowires under tensile loading at various strain rates and wire sizes at room temperature. The simulations were performed using molecular dynamics modelingExpand
Thermal conductivity reduction in core-shell nanowires
Nanostructuring of thermoelectric materials bears promise for manipulating physical parameters to improve the energy conversion efficiency of thermoelectrics. Using nonequilibrium molecular dynamics,Expand
The Mechanical Behaviors of Polyethylene/Silver Nanoparticle Composites: an Insight from Molecular Dynamics study
  • Chia-Hao Su, Hui-Lung Chen, +4 authors Tai-Ding You
  • Medicine, Materials Science
  • Scientific Reports
  • 2020
TLDR
The stress-strain distribution of the tensile process shows that the embedded AgNPs can significantly improve the Young’s modulus and tensile strength of the pristine PE, and the effect of temperature on the mechanical properties of pristine PE and PE/AgNP composites decreased significantly. Expand
Multiphase density functional theory parameterization of the interatomic potential for silver and gold
Abstract The ground state energies of Ag and Au in the face-centered cubic (FCC), body-centered cubic (BCC), simple cubic (SC) and the hypothetical diamond-like phase, and dimer were calculated as aExpand
Investigation of mechanical properties and deformation behavior of single-crystal Al-Cu core-shell nanowire generated using non-equilibrium molecular dynamics simulation
  • J. Sarkar
  • Materials Science
  • Journal of Nanoparticle Research
  • 2018
Molecular dynamics (MD) simulation studies were carried out to generate a cylindrical single-crystal Al-Cu core-shell nanowire and its mechanical properties like yield strength and Young’s modulusExpand
Insights into the mechanical properties and fracture mechanism of Cadmium Telluride nanowire
The mechanical properties of Cadmium telluride (CdTe) nanowire have become focus of interest now-a-days due to its promising application in opto-electro-mechanical nanodevices. Inthis study,Expand
Elastic, elastic–plastic properties of Ag, Cu and Ni nanowires by the bending test using molecular dynamics simulations
Abstract This paper presents the theoretical mechanical properties of Ag, Cu and Ni nanowires. To obtain theoretical mechanical properties of these metallic nanowires, a mechanical bending test ofExpand
Bending and tensile deformation of metallic nanowires
Using molecular statics simulations and the embedded atom method, a technique for bending silver nanowires and calculating Young's modulus via continuum mechanics has been developed. The measuredExpand
...
1
2
3
4
5
...