On the Da Vinci size effect in tensile strengths of nanowires: A molecular dynamics study

Zhao, Ziyu; Liu, Jinxing; Soh, Ai Kah

doi:10.1063/1.5006078

Cited by 7 publications

(3 citation statements)

References 29 publications

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“…Using these periodic boundary condition resulted in minimizing the system size effect (Shaw et al 2016) and creating a larger system (Murray et al 2010). The motion of the atoms in the loaded section was also integrated with an NVT ensemble, using the Nose-Hoover thermostat, which is the common approach in molecular simulations of uniaxial strength process (Zhao et al 2018;Li et al 2013;Makke 2011). Furthermore, the atomic force field was imported accurately from a valid research publication (Okada et al 2000) into the LAMMPS software, which is a well-known and precise platform for conducting studies on the mechanical properties of polymers' molecular structures (Wu al.…”

Section: Discussionmentioning

confidence: 99%

Molecular Dynamics approach for Fracture Simulation along a Weakly Bonded Interface

Mahbaz¹,

Mosharafi²,

Dusseault³

2019

ijSciences

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Opening mechanisms for fractures (joints) characterized by weak bonding (nano-micro scale cracks) in low-porosity rock play a key role in shale oil and shale gas development through staged hydraulic fracturing. We explore the cohesive interface strength of two weakly bonded slabs of Polymethylmethacrylate (PMMA) with nanoscale Molecular Dynamics (MD) methods, calibrated to experimental data and simulated by the Finite Element Method (FEM). The proper stress/strain state at the weakly bonded interface is determined because it is required for MD simulation. Then, we develop a representative PMMA structure as an input for LAMMPS © software to simulate a tensile strength test. Results including per-atom stress values and pressures in different components are extracted, and we note that the fracture location and its behavior deduced from MD simulations follows experimental results. The total force for this simulation is close to 80 × 10 6 N, and we can use this parameter to reflect the fracture behavior of the weakly bonded PMMA slabs with an acceptable accuracy, considering the levels of uncertainty.

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Section: Discussionmentioning

confidence: 99%

Molecular Dynamics approach for Fracture Simulation along a Weakly Bonded Interface

Mahbaz¹,

Mosharafi²,

Dusseault³

2019

ijSciences

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“…The diagram of the fabrication process is displayed in the appendix section. The axial stress along the tensile direction p , yy is calculated based on the virial formula [43]:…”

Section: Simulation Proceduresmentioning

confidence: 99%

Temperature-mediated fabrication, stress-induced crystallization and transformation: atomistic simulations of additively manufactured amorphous Cu pillars

Zhao¹,

Liu²,

Soh³

et al. 2019

Modelling Simul. Mater. Sci. Eng.

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Additive manufacturing (AM) is an emerging and promising technology. In this manuscript, an attempt is made to simulate an AM process via molecular dynamics simulations. Amorphous Cu pillars are built by bundling melting Cu wires parallelly one by one, with a particular temperature-controlling procedure through the use of ‘mediate temperature’. Thus, the volume fraction of the amorphous phase becomes adjustable. Uniaxial tests are conducted on the pillars after free relaxation. The mediate temperature is found to play a profound role in atomic arrangement, which governs the volume fractions of amorphous and crystalline phases. The results obtained also show that crystallization prevails when the pillar is subjected to an external tension. Furthermore, such a stress-induced crystallization serves as the dominant plastic mechanism instead of dislocation, and a vibrating uniaxial loading is found to accelerate the transformation from an amorphous to a crystalline phase, compared with a monotonic tension.

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“…The MD simulation is a good auxiliary research tool to investigate the evolution of atomic arrangements and dislocation configurations at atomic scale [ 24 , 25 , 26 , 27 , 28 ]. It can overcome the limitations of experimental conditions and exhibit atoms motion trajectories.…”

Section: Introductionmentioning

confidence: 99%

Plastic Softening Induced by High-Frequency Vibrations Accompanying Uniaxial Tension in Aluminum

2022

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We have investigated the influences of high-frequency vibration (HFV) superimposed onto the monotonic uniaxial tension in single-crystal aluminum (Al) specimens by molecular dynamics simulations. It was found that HFV induces softening, i.e., reduction in peak stress. Similar to previous experimental results, the softening increases with the increasing HFV amplitude. Dependences on lattice orientation, tensile strain rate, and a preset notch are considered. Lattice orientation plays an important role in peak stress and plasticity. The evolution of the atomic structure reveals that dislocations have enough time to annihilate under a lower tensile strain rate, resulting in strong ups and downs in the strain–stress curves. Under a higher strain rate, newly appearing dislocations interact with previous ones before the latter annihilate, densifying the dislocation network. As a result, further dislocation motions and annihilations are considerably impeded, leading to a relatively smooth flow stage. Furthermore, by modifying the propagation direction of shear bands, a preset notch can strengthen the peak tensile stress under low-level amplitude HFVs.

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On the Da Vinci size effect in tensile strengths of nanowires: A molecular dynamics study

Cited by 7 publications

References 29 publications

Molecular Dynamics approach for Fracture Simulation along a Weakly Bonded Interface

Molecular Dynamics approach for Fracture Simulation along a Weakly Bonded Interface

Temperature-mediated fabrication, stress-induced crystallization and transformation: atomistic simulations of additively manufactured amorphous Cu pillars

Plastic Softening Induced by High-Frequency Vibrations Accompanying Uniaxial Tension in Aluminum

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