Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass
Download
index.pdf
Date
2012-05-11
Author
HWANG, Jinwoo
MELGAREJO, Z. H.
Kalay, Yunus Eren
KALAY, I.
KRAMER, M. J.
STONE, D. S.
VOYLES, P. M.
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
183
views
78
downloads
Cite This
Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structure from an embedded atom potential produce structures with significant fractions of icosahedral- and crystal-like atomic clusters. Similar clusters group together into nanometer-scale regions, and relaxation transforms crystal-like clusters into icosahedral clusters. A model refined against only the potential does not agree with the fluctuation microscopy data and contains few crystal-like clusters.
Subject Keywords
Medium-range order
,
Monte-carlo algorithm
,
Fluctuation microscopy
,
Forming liquids
,
Atomic packing
,
Transition
,
Model
,
Probe
URI
https://hdl.handle.net/11511/34827
Journal
PHYSICAL REVIEW LETTERS
DOI
https://doi.org/10.1103/physrevlett.108.195505
Collections
Department of Metallurgical and Materials Engineering, Article
Suggestions
OpenMETU
Core
Spectroscopic measurements of electron temperature and electron density in electron beam plasma generator based on collisional radiative model
Goktas, H.; Demir, A.; Kacar, E.; Hegazy, H.; Turan, Raşit; Oke, G.; Seyhan, A. (Informa UK Limited, 2007-01-01)
The current work describes a spectroscopic method for determining the electron temperature and electron density in an electron beam generator using argon spectral lines based on a collisional radiative model. Neutral and first-ionized Ar lines emitted from the electron beam generator are studied experimentally. A collisional radiative code was developed to simulate the Ar (I) and Ar (II) spectral emission and to compare the results with the experimental data for electron density and temperature determinatio...
Segregation formation, thermal and electronic properties of ternary cubic CdZnTe clusters: MD simulations and DFT calculations
KURBAN, MUSTAFA; Erkoç, Şakir (Elsevier BV, 2017-04-01)
Surface and core formation, thermal and electronic properties of ternary cubic CdZnTe clusters are investigated by using classical molecular dynamics (MD) simulations and density functional theory (DFT.) calculations. In this work, MD simulations of the CdZnTe clusters are performed by means of LAMMPS by using bond order potential (BOP). MD simulations are carried out at different temperatures to study the segregation phenomena of Cd, Zn and Te atoms, and deviation of clusters and heat capacity. After that,...
Quantum chemical treatment of Li/Li+ doped defected carbon nanocapsules
Pekoez, Rengin; Erkoç, Şakir (Elsevier BV, 2008-06-01)
Structural and electronic properties of and () doped mono-vacancy defected carbon nanocapsule (CNC) systems have been investigated theoretically by performing semi-empirical self-consistent-field (SCF) molecular orbital (MO) and density functional theory (DFT) methods. Semi-empirical SCF MO method at PM3 level has been considered to optimize fully the geometry of the CNCs in their ground states. The total energies of these structures were calculated using B3LYP exchange-correlation functional in DFT metho...
Physical properties of Pd, Ni metals and their binary alloys
Özdemir Kart, Sevgi; Tomak, Mehmet; Department of Physics (2004)
The Sutton Chen and quantum Sutton Chen potentials are used in molecular dynamics simulations to describe the structural, thermodynamical, and transport properties of Pd, Ni and their binary alloys in solid, liquid, and glass phases. Static properties including elastic constants, pair distribution function, static structure factor, and dynamical properties consisting of phonon dispersion relation, diffusion coefficient, and viscosity are computed at various temperatures. The melting temperatures for Pd-Ni s...
Nondipolar effects in the photoionization dynamics of carbon tetrafluoride
Toffolı, Danıele; Decleva, Piero (American Physical Society (APS), 2008-12-01)
The linear combination of atomic orbitals approach to the calculation of the molecular continuum spectrum with B-spline basis functions has been applied to the calculation of the first-order nondipolar corrections to the photoelectron angular distributions from carbon tetrafluoride. Dipolar and nondipolar asymmetry parameter profiles have been calculated for every single-particle orbital ionization. A comparison with the available experimental data gives good agreement for the dipolar asymmetry parameter. N...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
J. HWANG et al., “Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass,”
PHYSICAL REVIEW LETTERS
, pp. 0–0, 2012, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/34827.