Analysis of deformation behaviour of Al–Ni–Co thin film coated aluminium during nano-indentation: a molecular dynamics study

Reddy, K. Vijay; Pal, Snehanshu

doi:10.1080/08927022.2018.1511904

Cited by 25 publications

(10 citation statements)

References 40 publications

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“…Our simulation reveals a significantly higher hardness than that observed in the aforementioned experiments. Nevertheless, our hardness values, as presented in table 4, align closely with those from an MD study on AlCrCuFeNi [35] and CoCrNi [60], indicating hardness ranges of approximately 18.48-21.72 and 15.6-17.6 GPa, respectively, using the EAM. Notably, the Young's modulus values reported by Tian and Wu for AlCoCrFeNi and NiFeCoCrMn, ranging from 150 to 235 and 190 to 212.62 GPa, respectively, differ significantly from our MD analysis, which yields values of 19.52-39.34 GPa.…”

Section: Comparison Of Experiments and Simulation Resultssupporting

confidence: 85%

“…The application of LAMMPS is to simulate during the indentation process, while OVITO is used to analyze, visualize, illustrate, and observe the simulation results. The dislocation growth in the indentation process conducts a check through the dislocation extraction algorithm (DXA) [35]. The visualization of the microstructure of the sample is used common neighbor analysis (CNA) [36].…”

Section: Simulation Modelmentioning

confidence: 99%

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Study of nanoindentation behavior of NiCrCoAl medium entropy alloys under indentation process using molecular dynamics

Ngo,

Nguyen,

Fang

2024

Modelling Simul. Mater. Sci. Eng.

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The mechanical properties and deformation behavior of CoCrNiAl medium entropy alloy (MEA) subjected to indentation by an indenter tooltip on the substrate are explored using molecular dynamics (MD) simulation. The study investigates the effects of alloy compositions, temperature variations, and ultra vibration (UV) on parameters, such as total force, shear strain, shear stress, hardness, reduced modulus, substrate temperature, phase transformation, dislocation length, and elastic recovery. The findings indicate that higher alloy compositions result in increased total force, hardness, and reduced modulus, with Ni-rich compositions demonstrating superior mechanical strength. Conversely, increasing alloy compositions lead to reduced von Mises stress (VMS), phase transformation, dislocation distribution, and dislocation length due to the larger atomic size of Ni compared to other primary elements. At elevated substrate temperatures, atoms exhibit larger vibration amplitudes and interatomic separations, leading to weaker atomic bonding and decreased contact force, rendering the substrate softer at higher temperatures. Additionally, higher initial substrate temperatures enhance atom kinetic energy and thermal vibrations, leading to reduced material hardness and increased VMS levels. Increasing vibration frequency enlarges the indentation area on the substrate's surface, concentrating shear strain and VMS with vibration frequency. Higher vibration amplitude and frequency amplify force, shear strain, VMS, substrate temperature, and dislocation distribution. Conversely, lower vibration amplitude and frequency result in a smaller average elastic recovery ratio. Moreover, increased amplitude and frequency values yield an amorphous-dominated indentation region and increased proportions of HCP and BCC structures. Furthermore, this study also takes into account the evaluation of a material's ability to recover elastically during the indentation process, which is a fundamental material property.

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Section: Comparison Of Experiments and Simulation Resultssupporting

confidence: 85%

Section: Simulation Modelmentioning

confidence: 99%

Study of nanoindentation behavior of NiCrCoAl medium entropy alloys under indentation process using molecular dynamics

Ngo,

Nguyen,

Fang

2024

Modelling Simul. Mater. Sci. Eng.

View full text Add to dashboard Cite

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“…The summation of all dislocations at the node is equal to zero and can be expressed as [ 56 ]

\sum_{i = 1}^{n} b_{i} = 0

…”

Section: Resultsmentioning

confidence: 99%

“…The summation of all dislocations at the node is equal to zero and can be expressed as [56] X n i¼1 b i ¼ 0 (10) Reaction at one of the nodes in the present case, refer (Figure 12d), is described as follows…”

Section: Dislocation Nucleation Mechanisms and Dislocation Densitymentioning

confidence: 99%

Understanding Deformation Behavior in Sintered Fe36Ni Alloy Through Nanoindentation Experiments and Molecular Dynamics Simulation

Sahni,

Bhowmick,

Upadhyaya

2023

Adv Eng Mater

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In this work, the nanoindentation‐induced deformation behavior in sintered Fe36Ni is investigated using experiments and molecular dynamics simulations. The Fe36Ni alloy is synthesized through the powder metallurgy route. A microstructural study of the sintered sample reveals the formation of both hard α‐(Fe, Ni) and soft γ‐(Ni, Fe) phases due to compositional inhomogeneity, and increasing the sintering temperature enhances the γ‐(Ni, Fe) phase formation. The experimentally measured nanoindentation features are correlated to atomistic origin using molecular dynamics simulation. Deformation behavior is explored using local shear strain and atomic displacement plot, and a detailed investigation of various dislocation nucleation and their interaction is performed to gain insights into the mechanisms governing plastic deformation. The plastic deformation of α‐(Fe, Ni) phase is governed by dislocation with Burger's vector b = ½ <111> and b = <100> whereas, sessile dislocations such as Stair‐rod (b = 1/6 <110>), Frank (b = 1/3 <111>), and Hirth lock (b = 1/3 <100>) are found to be responsible for the plastic deformation and also contribute in strain hardening of γ‐(Ni, Fe) phase.

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“…A large number of researchers have used the MD method to study dislocation behaviors in Nibased alloys. [12][13][14][15][16][17][18][19][20] Amodeo et al [21] studied the deformation behavior of Ni 3 Al under uniaxial compression and some researchers [22,23] studied the nanoindentation of nickelcontaining structures. How to further study the mechanical properties of single crystal nickel-based superalloys by MD method was reviewed and prospected by Wu et al [24] However, most of these simulation studies directly chose the potential functions, and there was no systematic comparison to indicate which is more reasonable.…”

Section: Introductionmentioning

confidence: 99%

Effect of the potential function and strain rate on mechanical behavior of the single crystal Ni-based alloys: A molecular dynamics study*

Yin¹,

Lian²,

Wu³

et al. 2021

Chinese Phys. B

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Molecular dynamics has been widely used to study the fundamental mechanism of Ni-based superalloys. However, the effect of the potential function and strain rate on mechanical behavior has rarely been mentioned in the previous molecular dynamics studies. In the present work, we show that the potential function of molecular dynamics can dramatically influence the simulation results of single crystal Ni-based superalloys. The microstructure and mechanical behavior of single crystal Ni-based superalloys under four commonly used potential functions are systematically compared. A most suitable potential function for the mechanical deformation is critically selected, and based on it, the role of strain rate on the mechanical deformation is investigated.

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Analysis of deformation behaviour of Al–Ni–Co thin film coated aluminium during nano-indentation: a molecular dynamics study

Cited by 25 publications

References 40 publications

Study of nanoindentation behavior of NiCrCoAl medium entropy alloys under indentation process using molecular dynamics

Study of nanoindentation behavior of NiCrCoAl medium entropy alloys under indentation process using molecular dynamics

Understanding Deformation Behavior in Sintered Fe36Ni Alloy Through Nanoindentation Experiments and Molecular Dynamics Simulation

Effect of the potential function and strain rate on mechanical behavior of the single crystal Ni-based alloys: A molecular dynamics study*

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