Structural Transformation in Nanowires CuAu I with Superstructure of L10 of Tetragonal Symmetry at Uni-Axial Tension Deformation

Старостенков, М. Д.; Yashin, Alexander Vyacheslavovich; Sinica, Nikita

doi:10.4028/www.scientific.net/kem.592-593.51

Cited by 7 publications

(6 citation statements)

References 2 publications

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“…Based on these studies, it can be specified that there is a major influence of the structure on the mechanical properties of Cu-Au [48] and the properties of Cu-Au [49,50]. In addition, the effect of anisotropy on the deformation process has been found to have a nonlinear symmetry at low temperatures [51]. Morse interaction potential is widely used in the process of studying defects and deformation of metals and alloys [52,53].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Study on the Crystallization Process of Cubic Cu–Au Alloy

et al. 2022

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In this study, molecular dynamics simulations have been used to study the influencing factors, such as the time of each heating step, temperature, and annealing time, on the structure and crystallization process of Cu–Au alloy. The results show that when the temperature increased, the crystallization process decreased, and the structure gradually turns to the liquid state, and vice versa. When increasing the time of each heating step and the annealing time, the crystallization process increased, then increased the most at the glass temperature, Tg = 550 K. During the phase transition, link length (r), total energy (Etot), size (l), number of FCC, HCP, and Amor structural units have a significant change. The obtained results of Cu-Au alloy can serve as a basis for future experimental studies.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Study on the Crystallization Process of Cubic Cu–Au Alloy

et al. 2022

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“…Alloy structure is presented in the form of a face-centered cubic cell. We study the effect of volume on the mechanical properties of simulation nanowires at the temperatures 300K and 1000 K [15,[20][21][22][23]. The estimated size of the crystal unit was from 163 atoms (5 atoms along the edges at the bottom and 5 in height) to 72500 atoms (50 atoms along the edges at the bottom and 50 in height) for various experiments.…”

Section: Molecular Dynamics Simulationsmentioning

confidence: 99%

Features of deformation and breaking for Ni nanowire

Старостенков¹,

Aish²

2014

LoM

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Molecular dynamics (MD) simulations have been carried out on pure Nickel (Ni) crystal with face-centered cubic (FCC) lattice upon application of uniaxial tension at nanolevel with a speed of 20 m / s. The deformation corresponds to the direction <001>. To the calculated block of crystal free boundary conditions are applied in the directions <100>, <010>. A manybody interatomic potential for Ni within the second-moment approximation of the tight-binding model (the Cleri and Rosato potentials) was employed to carry out three dimensional MD simulations. A computer experiment is performed at a temperature corresponding to 10K, 300K and 1000K. MD simulation used to investigate the effect of length of Ni nanowire on the nature of deformation and fracture. The feature of deformation energy can be divided into four regions: quasi-elastic, plastic, flow and failure. The nature of deformation, slipping, twinning and necking were studied. Stress decreased with increasing volume. The results showed that breaking position depended on the nanowire length.

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“…We studied factors which influences for material properties, such as: the difference in atomic composition and density of atoms in planes parallel to the plane of the cross-section of a defect-free wire (the difference is observed in nanowires <111>, <110> and <100> Ni 3 Al ) [1][2][3][4]; the difference in the lengths of the sides of the unit cell along the orthogonal directions in alloys of non-cubic symmetry (for example, in nanowires <001> and <010> CuAu I) [5][6].…”

Section: Introductionmentioning

confidence: 99%

The Investigation of Nanowires Properties in the Process of Deformation

Старостенков

Yashin

2018

JMNM

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In this work, the authors attempted to consider the influence of the geometry of the crystal lattice on the properties of nanowires, which manifest themselves in the process of uni-axial stretching. This work summarizes and systematizes the results of previous studies of the authors. The first group of samples – are typical FCC metal – Ni3Al. For these nanowires, deformation processes in directions with different packing densities of atoms <100>, <110> and <111> were investigated. The second material group studied was an alloy with the non-cubic symmetry of the element cell CuAu I. Correspondingly, this sample was examined under deformation in directions corresponding to different lengths of the sides of the unit cell, <001> and <010>. All the investigations described in this paper were carried out by molecular dynamics method on three-dimensional models using the Morse's pair potentials.

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Structural Transformation in Nanowires CuAu I with Superstructure of L10 of Tetragonal Symmetry at Uni-Axial Tension Deformation

Abstract: This article deals with the research of the influence of the anisotropy of the alloys properties having non-cubic symmetry for example nanofibers CuAu I during deformation at low temperatures.

Cited by 7 publications

References 2 publications

Molecular Dynamics Study on the Crystallization Process of Cubic Cu–Au Alloy

Molecular Dynamics Study on the Crystallization Process of Cubic Cu–Au Alloy

Features of deformation and breaking for Ni nanowire

The Investigation of Nanowires Properties in the Process of Deformation

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