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The Automated Design of Materials Far From Equilibrium

Part of the Springer Theses Book Series

DOI: 10.1007/978-3-319-24621-5

ISBN: 978-3-319-24619-2

Publisher: Springer International Publishing - Springer Journals

Nov 14, 2015

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Chapter 1Introduction

Miskin, Marc Z.

Pages: 1 –5

[The automatic design of materials is emerging as field in the twenty-first century (Jain et al. 2013; Hautier et al. 2012; Curtarolo et al. 2013; Oganov et al. 2011; Dahiyat and Mayo 1997). Its ultimate goal is a system that take functional requirements as input and produces the materials that...
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Chapter 2Artificial Evolution

Miskin, Marc Z.

Pages: 7 –28

[Solving design problems in materials science requires a general framework that connects target behaviors to the microscopic parameters that produce them. Here we argue why artificial evolution is a particularly attractive means to this end. First, we present a brief survey of evolutionary...
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Chapter 3Optimization

Miskin, Marc Z.

Pages: 29 –47

[The optimization of a material requires tuning a single macroscopic property to take on an extreme value by manipulating microscale features. Here we show how artificial evolution can be used as an engine to accomplish this task, even in the absence of explicit relationships between micro-scale...
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Chapter 4Inverse Problems

Miskin, Marc Z.

Pages: 49 –61

[Suppose that for a particular material, a given microscopic property is known to impact a given bulk response. How can one construct simple rules that invert this relationship to identify the microscopic configurations that yield specific, desired responses? This is what we term an inverse...
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Chapter 5Transitions of Designs

Miskin, Marc Z.

Pages: 63 –72

[A new host of materials science problems open up once the task of identifying extreme materials has been automized. This is because optimization condenses the wide range of possible material microstructures into only those that emphasize extraordinary behaviors. In this chapter we ask how...
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Chapter 6Online Design

Miskin, Marc Z.

Pages: 73 –85

[In this chapter, we explore the possibility of building optimization algorithms for the specific purpose of solving materials design problems by integrating them with statistical physics. Specifically, we construct a formalism that can be used to turn statistical physics models that describe...
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Chapter 7Conclusions

Miskin, Marc Z.

Pages: 87 –89

[The central tenet of condensed matter physics is that all the emergent behavior that defines a material at the macro-scale is linked back to some kind of microscopic roots. The level of magnification needed to describe a property may vary from atoms to grains of sand, but there is always a...

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