Mechanical and Vibrational Characteristics of Functionally Graded Cu-Ni Nanowire: A Molecular Dynamics Study

Abstract

Functionally graded material (FGM) is a class of advanced materials, consisting of two (or more) different constituents, that possesses a continuously varying composition profile. With the advancement of nanotechnology, applications of FGMs have shifted from their conventional usage towards sophisticated micro and nanoscale electronics and energy conversion devices. Therefore, the study of mechanical and vibrational properties of different FGM nanostructures is crucial in exploring their feasibility for different applications. In this study, for the first time, we employed molecular dynamics (MD) simulations to investigate the mechanical and vibrational properties of radially graded Cu-Ni FGM nanowires (NW). Distribution of Cu and Ni along the radial direction follows power-law, exponential and sigmoid functions for FGM NWs under consideration. Our results demonstrate that, distribution function parameters play an important role in modulating the mechanical (elastic modulus and ultimate tensile strength) and vibrational (natural frequency and quality factor) properties of FGM NWs. The study also suggests that, elastic moduli of FGM NWs can be predicted with relatively good accuracy using Tamura and Reuss micromechanical models, regardless of NW diameter. We found that, Euler-Bernoulli beam theory under-predicts the natural frequencies of FGM NWs, whereas He-Lilley model closely approximates the MD results. Interestingly, FGM NWs are always found to exhibit beat vibration because of their asymmetrical cross sections. Finally, this is the first atomistic scale study of FGMs that directly compares MD simulations with continuum theories and micromechanical models to understand the underlying mechanisms that govern the mechanical and vibrational properties of FGM NWs in nanoscale.

45 pages, 11 figures

References in corpus (4)

• Thermoelastic Damping in Micro- and Nano-Mechanical Systems
• A fundamental numerical and theoretical study for the vibrational properties of nanowires
• Beat Phenomena in Metal Nanowires, and their Implications for Resonance-Based Elastic Property Measurements
• Molecular dynamics study of plasticity in Al-Cu alloy nanopillar due to compressive loading

Cited by in corpus (4)

• Extraction of Material Properties through Multi-fidelity Deep Learning from Molecular Dynamics Simulation
• Numerical Investigation of Mechanical Properties of Aluminum-Copper Alloys at Nanoscale
• Atomistic Modelling of Functionally Graded Cu-Ni Alloy and its Implication on the Mechanical Properties of Nanowires
• Comparative study on Mechanical characteristics of Functionally graded and Coreshell nanospheres: An Atomistic approach