Ab initio based Monte Carlo model of phase transformations in ferromagnetic shape memory alloys

Blankenau, Brian

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https://hdl.handle.net/2142/101615 Copy

Description

Title

Ab initio based Monte Carlo model of phase transformations in ferromagnetic shape memory alloys

Author(s)

Blankenau, Brian

Issue Date

2018-07-20

Director of Research (if dissertation) or Advisor (if thesis)

Ertekin, Elif

Department of Study

Mechanical Sci & Engineering

Discipline

Mechanical Engineering

Degree Granting Institution

University of Illinois at Urbana-Champaign

Degree Name

M.S.

Degree Level

Thesis

Keyword(s)

• Monte Carlo
• Shape Memory Alloy
• Magnetic Shape Memory Alloy
• Magnetocaloric Effect
• Ni2MnIn

Abstract

We present a computational framework for describing and predicting the phase transformation behavior of ferromagnetic shape memory alloys (FSMAs). This framework is intended to aid in the discovery of new FSMAs and optimize desired properties of existing FSMAs for engineering applications such as solid state refrigeration. Predicting the phase transformation behavior in theses alloys is necessary to determine the degree to which they will exhibit the magnetocaloric effect (MCE), which is a promising alternative to conventional refrigeration mechanisms. Our framework consists of a combination of ab-initio simulations and Monte Carlo models which allow an alloy to be examined across its phase space without the need for any empirical parameters. In this document, we focus on the Heusler alloy Ni50Mn50-XInX as it has already been the subject of substantial experimental and computational work. This material serve as a benchmark for the development of our method. In the remainder of this document we will discuss the framework and how the ab-initio and Monte Carlo methods are integrated.

Graduation Semester

2018-08

Type of Resource

text

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http://hdl.handle.net/2142/101615

Copyright and License Information

Copyright 2018 Brian Blankenau

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