Local structures of the Al-RE marginal metallic glasses and liquids: A molecular dynamics study

Download

10484032.pdf

Date

2022-7-7

Author

Sarıtürk, Doğuhan

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

158
views

0
downloads

Al-based metallic glasses (MGs) have outstanding structural and functional properties and are of great interest in the literature and industry. The formation of metallic glasses opens up extraordinary possibilities, and the structure and structure-property relationship at the atomic level must be thoroughly studied to tailor such properties. Al-Rare Earth (RE)-based alloys form an important class of marginal glass-forming alloys in which the presence of Al nanocrystals accompanies primary crystallization. Our previous studies on Al-based rare earth (Al–RE) metal alloys (RE: Sm, Tb) have shown that the phase selection hierarchy upon devitrification depends on the middle range order present in the devitrification state. In this study, the atomic structures of binary Al-Sm metal alloys were investigated using molecular dynamics (MD) simulations with Embedded Atom Method (EAM) potential to reveal the structural evolution in molten, supercooled, and quenched states considering short and medium range orders.

Subject Keywords

Metallic glasses, Aluminum alloys, Molecular dynamics, Short-range order, Medium-range order

URI

https://hdl.handle.net/11511/98545

Collections

Graduate School of Natural and Applied Sciences, Thesis

Suggestions

OpenMETU
Core

Dielectric matrix influence on the photoluminescence properties of silicon nanocrystals Ferraioli, L.; Cazzanelli, M.; Daldosso, N.; Mulloni, V.; Bellutti, P.; Yerci, Selçuk; Turan, Raşit; Mikhaylov, A.n.; Tetelbaum, D.ı.; Pavesi, L. (null; 2006-12-01) Photoluminescence properties of silicon nanocrystals embedded in five different oxide matrices are analyzed. Samples are silicon rich oxide and oxynitride produced by PECVD and ion implantation and crystalline and amorphous aluminum oxide implanted with silicon.
Thermal and mechanical properties of Pt-Rh alloys Dereli, G; Cagin, T; Uludogan, M; Tomak, Mehmet (1997-04-01) We utilize the many-body potentials developed by Sutton and Chen within the context of the tight-binding approach to study the bulk properties of metals and metal alloys in molecular dynamics (MD) simulations. In the simulations of Pt-Rh alloys we used the MD algorithms based on an extended Hamiltonian formalism from the works of Andersen, Parrinello and Rahman, Nose, Hoover, and Cagin. The simulator program that we use generates information about various physical properties during the run time, along with ...
Electronic structure of carbon nanotubes: AM1-RHF calculations Erkoç, Şakir; Turker, L (Elsevier BV, 1999-07-01) We have investigated the electronic structure of optimized open-ended single-wall carbon nanotubes with armchair and zigzag geometries. The calculations were performed using AM1-RHF semiempirical molecular orbital method. It has been found that the density of states of the zigzag model is more sensitive to the tube size than that of the armchair model.
Experimental investigation of the effect of CNT addition on the strength of CFRP curved composite beams Arca, M.A.; Uyar, I.; Çöker, Demirkan (2015-01-01) Carbon nanotubes (CNT) have been attracting attention as a toughening material in composite matrix due to their excellent mechanical properties. However, superior properties of CNTs have not yet been realized in the strengthening of composites against fracture. This study focuses on investigating the effect of CNT variation in the epoxy resin on the strength of curved composite beams. Specimens are [0/90] fabric carbon/epoxy composite laminates manufactured by hand layup technique 3 % wt CNT fractions in th...
Nanoheterogeneous ZrTa metallic glass thin films with high strength and toughness Behboud, Ali B.; Motallebzadeh, Amir; Özerinç, Sezer (2022-04-25) This study investigated the mechanical behavior of ZrxTa1−x (x = 21–79 at%) thin films and nanolayered films of ZrTa with modulated composition as model systems to gain insight into the hardness and toughness of metallic glasses and metallic glass nanocomposites. The monolithic films exhibit two primary microstructures, namely, a fully amorphous form (Zr = 35–70at%.) and an amorphous-crystalline composite (21–30 at% Zr). The amorphous films show a monotonic hardness variation with composition over a wide ra...

Citation Formats

D. Sarıtürk, “Local structures of the Al-RE marginal metallic glasses and liquids: A molecular dynamics study,” M.S. - Master of Science, Middle East Technical University, 2022.