Effect of lattice distortion and grain size on the crack tip behaviour in Co-Cr-Cu-Fe-Ni under mode-I and mode-II loading

Singh, Sandeep Kumar; Parashar, Avinash

doi:10.1016/j.engfracmech.2022.108809

Cited by 15 publications

(5 citation statements)

References 84 publications

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“…When the strain rate of 300 K is 1 × 10 10 s −1 , the monocrystalline is transformed into polycrystalline in addition to molecular structure transformation. In order to study the effect of grain size on the mechanical properties, the Voronoi structure method was used to modify the model [ 25 , 26 ], as shown in Figure 8 a–d. All the models were 10 × 10 × 10 nm 3 in size and contained different quantities of randomly oriented particles, which were controlled by this method.…”

Section: Resultsmentioning

confidence: 99%

Investigation of the Micromechanical Behavior of a Ti68Nb7Ta3Zr4Mo18 (at.%) High-Entropy Alloy

Wang

Cheng

et al. 2023

Materials

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Intense research efforts are focused on the development of advanced high-entropy alloys intended for premium aerospace components and other applications, where high strength and good formability are crucial. The mechanical properties of these alloys are closely related to the phase transformation, dislocation evolution, and grain size, and these factors are affected by the deformation temperature. The response of the retained austenite to strain-induced martensitic transformation at various temperatures was studied in an advanced Ti68Nb7Ta3Zr4Mo18 (at.%) high-entropy alloy via molecular dynamics simulation. It was found that the Ti68Nb7Ta3Zr4Mo18 alloy changes from a single crystal to a polycrystal during the tensile process, and the transition of the Ti68Nb7Ta3Zr4Mo18 (at.%) high-entropy alloy from the BCC phase to the FCC phase occurs. At high temperatures and low strain rates, grain boundary slip is the main deformation mechanism, and at low temperatures and high strain rates, dislocation slip replaces grain boundary slip as the dominant deformation mechanism, which improves the strength of the alloy. Moreover, when the grain size is too small, the strength of the alloy decreases, which does not satisfy the fine grain strengthening theory and shows an inverse Hall–Petch relationship. This study offers a new compositional window for the additive manufactured lightweight high-strength material categories for various applications including the aerospace industry.

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Section: Resultsmentioning

confidence: 99%

Investigation of the Micromechanical Behavior of a Ti68Nb7Ta3Zr4Mo18 (at.%) High-Entropy Alloy

Wang

Cheng

et al. 2023

Materials

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“…Embedded atom method (EAM) [43] potential parameters developed by Farkas et al [44] were employed to describe the interaction between the atoms of ternary and quinary configurations. Various researchers have already validated this interatomic potential to precisely predict the structural properties of ternary and quinary multi-elemental alloys, also called random alloy [20][21][22][45][46][47][48][49][50][51][52][53][54].…”

Section: Modelling and Simulation Detailsmentioning

confidence: 99%

“…In the last few years, many computational techniques have been developed to predict the irradiation effect on conventional materials and high entropy alloys (HEAs) [18], out of which molecular dynamics (MD) [19] based methods are widely employed. These techniques are widely used for exploring the mechanical properties of various engineering materials [20][21][22][23][24][25][26][27][28][29]. Li et al [14] and Lin et al [16] utilized MD simulations to predict the impact of irradiation damage in different high entropy alloys.…”

Section: Introductionmentioning

confidence: 99%

Effect of Frenkel pairs on the tensile and shock compression strength of multi-elemental alloys

Singh,

Parashar

2023

Phys. Scr.

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In this article, molecular dynamics simulations were performed to study the effect of irradiation damage on the tensile and shock compression behaviour of multi-elemental alloys (medium and high entropy alloys). These simulations were divided into three broad stages; in the first section, a displacement cascade was generated in the simulation box using primary knock-on atoms (PKA) with kinetic energy in the range of 0.25 to 2 keV. In the second stage, the same defected crystal was subjected to tensile loading to study the deformation mechanism of multi-elemental alloys containing these irradiation-induced defects. In the last stage, tensile loading was replaced by ultrashort shock pulse loading. Irradiation damage significantly alters the tensile strength of Fe-Ni-Co-Cr-Cu and Fe-Ni-Cr alloys. The primary deformation governing mechanism is the spatial distribution of stacking faults and partial dislocations during deformation. Lattice distortion reduces the tensile strength of multi-elemental alloys compared to A-atom configurations. In shock loading, the shock resistance capability of irradiated Fe-Ni-Co-Cr-Cu was better than Fe-Ni-Cr alloy. Lattice distortion in random multi-elemental alloys helps in mitigating the shock propagation.

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“…Molecular dynamics (MD) methods can be employed to study not only the macroscopic physical properties but also the microscopic behavior of atoms in materials [36][37][38][39]. In the present work, MD models are tried to be established for both bulk and GB diffusion in CoCrFeMnNi alloy, and the atomic self-diffusion within the interior of grains and stationary characteristics on GBs are calculated to enlarge understanding of diffusive behavior in HEAs.…”

Section: Introductionmentioning

confidence: 99%

Simulation of bulk and grain boundary diffusion phenomena in a high entropy CoCrFeMnNi alloy by molecular dynamics

Fan

Zhang²

2023

Phys. Scr.

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A series of calculations on the self-diffusion behavior of high entropy CoCrFeMnNi alloy were carried out using molecular dynamics methods. By computing both vacancy formation energy and atomic migration energy of the constituent elements in the alloy, the diffusional activation energy of each element is obtained, and the self-diffusion coefficients for bulk diffusion were calculated, with the values exhibiting close to of experiments. A model for structures of symmetrically tilted grain boundary is established, with Σ9 and Σ27 grain boundaries studied based on the coincidence site lattice theory. Measured by the full width at half maxima of the radial distribution function, it is found that the grain boundaries with low index are more ordered than those with high plane index, and the atom fluctuation occurred in the low-indexed grain boundaries is less intensively and sensitively to temperature change. Meanwhile, the diffusion coefficients of ordered grain boundaries are generally smaller than those of disordered grain boundaries. Compared with the experimental values of grain boundary diffusion, the diffusion activation energy of configured grain boundaries from coincidence site lattice is smaller than that of normal large-angle grain boundaries.

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Effect of lattice distortion and grain size on the crack tip behaviour in Co-Cr-Cu-Fe-Ni under mode-I and mode-II loading

Cited by 15 publications

References 84 publications

Investigation of the Micromechanical Behavior of a Ti68Nb7Ta3Zr4Mo18 (at.%) High-Entropy Alloy

Investigation of the Micromechanical Behavior of a Ti68Nb7Ta3Zr4Mo18 (at.%) High-Entropy Alloy

Effect of Frenkel pairs on the tensile and shock compression strength of multi-elemental alloys

Simulation of bulk and grain boundary diffusion phenomena in a high entropy CoCrFeMnNi alloy by molecular dynamics

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