1. The local order and structural evolution of amorphous PdAg alloy during isothermal annealing under high pressure: a molecular dynamics study
- Author
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Celik, Fatih Ahmet and Kazanc, Sefa
- Subjects
Silver alloys -- Mechanical properties -- Thermal properties -- Production processes ,Annealing -- Research ,Materials at high pressures -- Research ,Materials research ,Palladium -- Mechanical properties -- Thermal properties ,Physics - Abstract
In this study, the local order and the structural evolution of the PdAg binary alloy system during the crystallization process from the amorphous phase under different pressures was investigated using the molecular dynamics simulation method. The structural development and phase transformation of the model alloy system for pressures of 0,1, and 5 GPa are analysed based on variations of the radial distribution function, the bond orientational order parameters, and Honeycutt-Andersen bond-type index method. The simulation results showed that higher pressures favoured amorphous-type atomic clusters and had an important effect on the bond orientational order parameters of the model system of the transformation from amorphous state to stable crystal phase during the isothermal annealing. PACS Nos.: 64.70.Q-, 64.70.kd, 64.70.kj, 64.70.P-. Nous utilisons ici la methode de simulation de dynamique moleculaire pour etudier l'ordre local et revolution structurelle d'alliages binaires PdAg pendant le processus de cristallisation a partir d'une phase amorphe sous differentes pressions. Le developpement structurel et la transformation de phase, a des pressions de 0,1 et 5 GPa, sont analyses sur la base des variations de la distribution radiale, des parametres d'ordre orientationnel de lien et de la methode de lien de HoneycuttAndersen. Les resultats de la simulation montrent que la haute pression favorise la phase amorphe et a un effet important sur les parametres d'ordre orientationnel de lien dans ce modele de la transformation d'une phase amorphe stable a une phase cristalline stable pendant le recuit isotherme. [Traduit par la Redaction], 1. Introduction Amorphous alloys can be prepared through various nonequilibrium processes, such as rapid solidification, physical vapour deposition, and mechanical alloying [1]. Usually, to avoid the nucleation and growth of [...]
- Published
- 2015
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