Pressure effects on martensitic transformation under quenching process in a molecular dynamics model of NiAl alloy

Kazanç, Sefa; Özgen, S.; Adigüzel, Osman

doi:10.1016/s0921-4526(03)00101-7

Cited by 31 publications

(17 citation statements)

References 17 publications

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“…In the MD methodology considering the variation of MD cell in shape and size, the lengths of the MD cell axis are described with three vectors A(t), B(t) and C(t) as a function of time. More detailed expositions of MD methodology can be found in the literatures (Kazanc et al, 2003;Haile, 1992;Heermann, 1986).…”

Section: The Simulation Proceduresmentioning

confidence: 99%

“…The role of high pressure in influencing phase transitions and in unraveling transition mechanism is very well known (James and Schilling, 1998;Zengin and Yakuphanoglu, 2003;Tatar and Yakuphanoglu, 2005). These transformations can progress with changing the temperature and/or externally applied stress (Kazanc et al, 2003). The thermoelastic martensitic transformation, which starts the martensite start temperature (M s ), in which the temperature of alloy obtaining high temperature and austenite phase is suddenly felled and than this process continue to transformation finish temperature (M f ).…”

Section: Introductionmentioning

confidence: 99%

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Investigation of the effect of pressure on some physical parameters and thermoelastic phase transformation of NiAl alloy

Kazanç

Tatar

2008

International Journal of Solids and Structures

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The Ni-Al alloys which exhibit the thermoelastic phase transformations in the composition range from 60 to 65 atomic percentage of Ni are widely used in the high technology applications. In this study, thermoelastic phase transformations of Ni-37.5 at.% Al alloys at 0, 1 and 2 GPa pressures were investigated by using MD simulation. Physical interactions among atoms in the alloy system were modelled using Sutton-Chen version of the embedded atom method based on many-body interactions. The potential parameters for cross interactions between Ni and Al atoms were estimated by optimising the results obtained from the molecular dynamics simulations. Moreover, the effect of applied pressure on transformation temperatures, enthalpy, entropy and elastic energy of model alloy system were investigated. The obtained result showed that the transformation temperature increased with applied pressure while enthalpy, entropy and elastic energy decreased. The values of the thermodynamical parameters that obtained in this study are in very good agreement with results of experimental studies.

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Section: The Simulation Proceduresmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Investigation of the effect of pressure on some physical parameters and thermoelastic phase transformation of NiAl alloy

Kazanç

Tatar

2008

International Journal of Solids and Structures

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“…Furthermore, the Cartesian coordinate components of A(t), B(t) and C(t) vectors are represented by a matrix h = (A, B, C). More detailed expositions of MD simulation method can be found from literature [23]. The simulations have been performed on three-dimensional arrays of 10 × 10 × 10 unit cells (2000 atoms).…”

Section: The Simulation Proceduresmentioning

confidence: 99%

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

Kazanç

2007

Physics Letters A

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“…Molecular dynamic (MD) simulation method aims to obtain some physical properties of the system by using a programming language which perform a sequence of numeric calculations and which includes interactions between the atoms forming the system [21]. In this method, the system is described by interaction forces between atoms which are located on lattice points in a cubic structure MD cell.…”

Section: Molecular Dynamic Simulationmentioning

confidence: 99%

The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics

Kizilagac¹,

Çelik²,

Köksal³

2018

Preprint

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This work aims to investigate the effect of Pt concentration on crystal growth mechanism of Platinum-Palladium (Pt-Pd) binary alloy system during the annealing process starting from amorphous phase until some definite temperatures. The calculations have been performed by using molecular dynamic (MD) simulations. Interatomic interactions are described by on Sutton-Chen type Embedded Atom Potential Energy function. In order to understand the main structural properties at the stable and unstable phases, changes in RDF curves versus time have been analysed for different annealing temperatures. Crystalline type bonded pairs have been determined using MD calculations which is required for the computation of Avrami coefficients and for understanding crystal growth mechanism. The results demonstrate that the increase in concentration of Pt during annealing leads to migration of atoms in the crystal lattice points, elimination of dislocations and formation of perfect crystal structure.

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Pressure effects on martensitic transformation under quenching process in a molecular dynamics model of NiAl alloy

Cited by 31 publications

References 17 publications

Investigation of the effect of pressure on some physical parameters and thermoelastic phase transformation of NiAl alloy

Investigation of the effect of pressure on some physical parameters and thermoelastic phase transformation of NiAl alloy

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

The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics

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