Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/16794
Title: Discrete modeling of shape memory alloys
Authors: SOUNDARAPANDIAN MOHANRAJ
Keywords: Shape memory alloys, Discrete modeling, temperature dependent potentials, Vibrational entropy driven phase transition
Issue Date: 15-Jun-2009
Source: SOUNDARAPANDIAN MOHANRAJ (2009-06-15). Discrete modeling of shape memory alloys. ScholarBank@NUS Repository.
Abstract: An open problem in constitutive modeling of materials is in developing approaches which tie material information at different length scales in a consistent manner. During phase transitions, thermal effects are important and in this thesis we study discrete models for such problems. We first study the origin of structural phase transitions arising from vibrational entropy effects. Using statistical mechanics arguments we isolate a phase transforming mode whose properties determine those of the phase transitions. We then perform numerical simulations for a chain of atoms with a potential energy possessing these properties, to confirm the role of the properties of the potential energy and study the dependence of the phase transformation on the shape of the potential well. These properties do not provide a guide for a direct empirical fit of the interatomic potentials. In light of this, we develop two phenomenological approaches for a discrete description of thermal phase transitions.
URI: http://scholarbank.nus.edu.sg/handle/10635/16794
Appears in Collections:Ph.D Theses (Open)

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