Molecular dynamics study of pressure effect on crystallization behaviour of amorphous CuNi alloy during isothermal annealing

Kazanç, Sefa

doi:10.1016/j.physleta.2007.01.032

Cited by 40 publications

(18 citation statements)

References 26 publications

(29 reference statements)

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“…2) has the first peak position of the dominant radial distribution function. Increased in nanoparticle from 4000 up to 5324, 6912 and 8788, atoms show their first peak position of radial distribution function with an approximate negligibility of value change from 2.44 Å to 2.48 Å, then the second onewith an enormous change of value from 3.48Å to 3.64 Å, in which, peak position at r 2 = 3.62 Å perfectly-matches with previous simulation at 3.62 Å [33]; 3.6 Å [34]. In addition, increasing number from 4000 up to 5324, 6912, 8788 atoms leads to high peak, while first peak radial distribution function of nanoparticle dropss from 5.95 Å to 5.46 Å.…”

Section: The Influence Of Atomic Numbersupporting

confidence: 86%

“…Recently, S. Kazanc has shown the second peak position of radial distribution function of Cu-Ni alloys ranging at 3.62Å; 3.60Å and 3.58Å at respectively pressures of 0 GPA, 3 GPA and 5 GPA. An increase of ressure reveals that second peak position of radial distribution function move gradually to the left [33]. Moreover, another report states that at the 0GPa second peak of radial is recorded at 3.6 Å [34].…”

Section: Introductionmentioning

confidence: 91%

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Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles

Nguyên¹

2017

AJMP

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This paper studies the influence of atomic number at temperature of 300 K, temperature at 5324 atoms, phase transition & crystallization at different temperatures of 300 K, 500 K, 600 K, 700 K, 1100 K after 2×10 5 move steps number by increasing temperature of 4×10 12 K/s on microstructure, phase transition temperature, phase transition & crystallization of CuNi nanoparticle by molecular dynamics (MD) with embedded interaction Sutton-Chen and soft boundary conditions. Microstructure characteristics are analyzed through radial distribution function (RDF), energy, size, phase transition temperature (via relationship between energy and temperature), phase transition & crystallization (via radial distribution function, E tot , move step number and common neighbor analysis (CNA)). Results show that first peak position of the radial distribution function is dominant; lengths of Cu-Cu, Ni-Ni with the results of Ni-Ni consistent with simulation. At 300 K temperature, nanoparticle appears in four phases namely FCC, HCP, ICO and Amorphous, presenting the effect of atomic number, temperature and move step number on microstructure, phase transition temperature and phase transition & crystallization of CuNi nanoparticle.

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Section: The Influence Of Atomic Numbersupporting

confidence: 86%

Section: Introductionmentioning

confidence: 91%

Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles

Nguyên¹

2017

AJMP

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“…Developed by Daw et al [34], the EAM potential is a potential function model used to calculate the interaction between metal atoms [35][36][37]. It is based on the density functional theory, which considers that the electron density near a given atom is the sum of the electron densities of that atom and other atoms around it.…”

Section: Model and Computational Methodsmentioning

confidence: 99%

Molecular Simulations of Sputtering Preparation and Transformation of Surface Properties of Au/Cu Alloy Coatings Under Different Incident Energies

Zhang

Tian

Peng

2019

Metals

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The surface properties of coatings during deposition are strongly influenced by temperature, particle fluxes, and compositions. In addition, the precursor incident energy also affects the surface properties of coatings during sputtering. The atomistic processes associated with the microstructure of coatings and the surface morphological evolution during sputtering are difficult to observe. Thus, in the present study, molecular dynamics simulation was employed to investigate the surface properties of Au/Cu alloy coatings (Cu substrate sputtering by Au atoms) with different incident energies (0.15 eV, 0.3 eV, 0.6 eV). Subsequently, the sputtering depth of the Au atoms, the particle distribution of the Au/Cu alloy coating system, the radial distribution function of particles in the coatings, the mean square displacement of the Cu atoms in the substrate, and the roughness of the coatings were analyzed. Results showed that the crystal structure and the sputtering depth of Au atoms were hardly influenced by the incident energy, and the incident energy had little impact on the motion of deep-lying atoms in the substrate. However, higher incident energy resulted in higher surface temperature of coatings, and more Au atoms existed in the coherent interface. Moreover, it strengthened the motion of Cu atoms and reduced the surface roughness. Therefore, the crystal structure of coatings and the motions of deep-lying atoms in the substrate are not influenced by the incident energy. However, the increase in incident energy will enhance the combination of coatings and the base while optimizing the surface structure.

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“…The structural properties are analyzed by the radial distribution functions (RDF) and the Honeycutt-Andersen (HA) method [14][15][16][17] . The Al-Ni-Co alloy is chosen because this ternary system endows superior properties that are appropriate for high performance applications such as superalloy and ferromagnetic shape memory alloys 18,19) .…”

Section: Introductionmentioning

confidence: 99%

Local Structural Arrangement of Amorphous Al-Ni-Co Alloy during Uniaxial Tension: A Molecular Dynamics Study

Liu

Liang

2016

Mater. Trans.

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The local structural arrangement of the amorphous alloy system Al 45 Ni 50 Co 5 , subject to uniaxial tensile strain, was investigated using molecular dynamics simulation. The amorphous phase of the alloy system did not change in the process. The degree of icosahedral order quanti ed by the Honeycutt-Andersen structural type, 1551, plays an important role in the formation and expansion of the shear transition zones in this amorphous system. The structural types 1551, 1441, and 1661 are found to evolve during the deformation process.

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Molecular dynamics study of pressure effect on crystallization behaviour of amorphous CuNi alloy during isothermal annealing

Cited by 40 publications

References 26 publications

Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles

Some Factors Affecting Structure, Transition Phase and Crystallized of CuNi Nanoparticles

Molecular Simulations of Sputtering Preparation and Transformation of Surface Properties of Au/Cu Alloy Coatings Under Different Incident Energies

Local Structural Arrangement of Amorphous Al-Ni-Co Alloy during Uniaxial Tension: A Molecular Dynamics Study

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