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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Materials by Design: An MPMD Symposium Honoring Greg Olson on the Occasion of His 70th Birthday
Presentation Title Exploring the Dark Continent of Structure-Property Relationships
Author(s) Mark Eberhart
On-Site Speaker (Planned) Mark Eberhart
Abstract Scope Materials system flowcharts, Olson diagrams, provide invaluable maps to chart courses between initial sets of performance criteria to needed new materials. Planning the best route from origin (performance) to destination (processes) requires knowledge of the infinite number of paths connecting process to structure, structure to properties, and properties to performance. Sadly, in many cases the landscapes these paths cross are under explored, particularly the region between electronic structure and properties—the dark continent of structure property relationships. As we seek to turn possible paths into the well-trod roads used by future materials designers, we must first identify starting points for our roads. Simply stated, what is the best description of electronic structure leading most directly to properties? Supported with examples, I will argue that describing charge density in terms of its topological and geometric properties is the most productive starting point from which to begin constructing electronic structure property relationships.
Proceedings Inclusion? Planned: Stand-alone book in which only your symposium’s papers would appear (indicate title in comments section below)


A History of Materials by Design, and a Very Bright Future
Computational Thermodynamics and Materials Design
Creating Materials Databases Using X-Ray Tomography
Exploring the Dark Continent of Structure-Property Relationships
Formalizing the Process-Structure-Property-Performance Approach to Materials Design and Development
GBO, SRG, ICME and MGI - Towards the General Materials Design System
The Redistribution of Carbon Atoms during Tempering of Martensite
The Use of 3D Microstructural Characterization for the Validation of Models

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