Phonon dispersions and elastic constants of disordered Pd–Ni alloys

Kart, S. Özdemir; Tomak, Mehmet; Çağın, Tahir

doi:10.1016/j.physb.2004.11.066

Cited by 10 publications

(3 citation statements)

References 62 publications

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“…The simple power law of the SC potential gives us a faster numerical algorithm than in the case of general EAM. Furthermore, scientists [35] reconstructed the Sutton-Chen (SC) potential by adding quantities, such as phonon frequency and zero energy, and called this new interaction the potential Quantum Sutton-Chen (Q-SC) [36][37][38][39][40]. Cu-Au alloys are also applied in lower CO oxidation than pure metals [41].…”

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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“…This new version of the SC potential is called the quantum Sutton-Chen (Q-SC) potential. This potential has been used in various applications, ranging from random alloys, glass formation, crystallization, surfaces, clusters, nanowires and single crystal plasticity of pure metals to transport properties of fcc metals [39][40][41][42][43].…”

Section: Introductionmentioning

confidence: 99%

Thermal and mechanical properties of Cu–Au intermetallic alloys

Kart

Tomak

Çağın

2005

Modelling Simul. Mater. Sci. Eng.

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The thermal and mechanical properties of Cu, Au pure metals and their ordered intermetallic alloys of Cu3Au(L12), CuAu(L10) and CuAu3(L12) are studied by using the molecular dynamics simulation. The effects of temperature and concentration on the physical properties of CuxAu1−x are analysed. Sutton–Chen (SC) and quantum Sutton–Chen (Q-SC) many-body potentials are used. The simulation results such as cohesive energy, density, elastic constants, bulk modulus, heat capacity, thermal expansion, melting points and phonon dispersion curves are in good agreement with the available experimental data at the various temperatures. Q-SC potential parameter results are usually closer to experimental values than the ones predicted from SC potential parameters.

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“…14 This is simply because we have recently used this potential with considerable success for a range of simple and binary alloys. [15][16][17][18][19][20][21][22][23] Its mathematically simple power law form and fairly long range character have made the SC-model potential rather popular in simulations. 24 We present the details of the simulation methodology in the next section.…”

Section: Introductionmentioning

confidence: 99%

Transferability of Sutton-Chen Potential Parameters in Au–Ni Binary Metal Alloys

Uludoğan¹,

Çağın²,

Tomak³

2009

Jnl of Comp & Theo Nano

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The dynamic and static properties of Au, Ni and Au-Ni alloy system are investigated by means of Molecular Dynamics using the Sutton-Chen potential. Two different potential parameters set are applied for this potential: The original Sutton-Chen parameters set and quantum-Sutton-Chen parameters set. This work concentrates on the transferability of potential model parameters by means of enthalpy of mixing, nearest neighbor Warren-Cowley short-range order parameter, diffusion coefficient, and the static structure factor. Calculations have been carried out in solid and liquid. The atomic structure and thermodynamic properties of the alloy also constitute basic questions we address in this investigation.

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Phonon dispersions and elastic constants of disordered Pd–Ni alloys

Cited by 10 publications

References 62 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

Thermal and mechanical properties of Cu–Au intermetallic alloys

Transferability of Sutton-Chen Potential Parameters in Au–Ni Binary Metal Alloys

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