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Field-Based Simulations of Nanostructured Polyelectrolyte Gels Read chapter Read first chapter

2016 | OriginalPaper | Chapter

Monte Carlo Study of Alloy Structures in Bulk and Nanostructured Systems

Author : Tongjai Chookajorn

Published in: Materials for Energy Infrastructure

Publisher: Springer Singapore

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Abstract

A Monte Carlo simulation is used to investigate the structure of binary alloys in bulk and nanostructured systems. The structures simulated under the bulk constraint by prohibiting grain boundary states to appear are in good agreement with microstructures in conventional alloy phase diagrams. Structures obtained without forcing the bulk constraint are found to differ from the bulk configurations and display nanoscale structural features that are accessible with suitable nanostructuring and equilibration. A nanostructure stability map is shown to be a useful tool for determining the alloy structures that may emerge from the Monte Carlo simulation without the bulk constraint.

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previous chapter Spinel MnCo2O4 and Spinel-Nanocarbon Hybrids as Bifunctional Catalysts for Alternating Oxygen Reduction and Evolution Reactions
next chapter Microdefects Modeling in Germanium Single Crystals
Literature
1.
Chookajorn T, Murdoch HA, Schuh CA (2012) Design of stable nanocrystalline alloys. Science 337(6097):951–954CrossRef
2.
Chookajorn T, Schuh CA (2014) Thermodynamics of stable nanocrystalline alloys: a Monte Carlo analysis. Phys Rev B 89(6):064102CrossRef
3.
Chookajorn T, Schuh CA (2014) Nanoscale segregation behavior and high-temperature stability of nanocrystalline W–20 at.% Ti. Acta Mater 73:128–138CrossRef
4.
Chookajorn T, Park M, Schuh, CA (2015) Duplex nanocrystalline alloys: entropic nanostructure stabilization and a case study on W-Cr. J Mater Res 30(2):151–163
5.
Okamoto H (2000) Desk handbook: phase diagrams for binary alloys. ASM international, USA
6.
Chookajorn T (2013) Enhancing stability of powder-route nanocrystalline tungsten-titanium via alloy thermodynamics in department of materials science and engineering, Massachusetts institute of technology, Cambridge, MA
Metadata
Title
Monte Carlo Study of Alloy Structures in Bulk and Nanostructured Systems
Author
Tongjai Chookajorn
Copyright Year
2016
Publisher
Springer Singapore
Book
Materials for Energy Infrastructure

Print ISBN: 978-981-287-723-9

Electronic ISBN: 978-981-287-724-6

Copyright Year: 2016

DOI
https://doi.org/10.1007/978-981-287-724-6_10

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