Materials by Design: An MPMD Symposium Honoring Greg Olson on the Occasion of His 70th Birthday: Materials Design I
Sponsored by: TMS Materials Processing and Manufacturing Division, TMS Functional Materials Division, TMS Structural Materials Division, TMS: Integrated Computational Materials Engineering Committee, TMS: Phase Transformations Committee
Program Organizers: Carelyn Campbell, National Institute of Standards and Technology; Michele Manuel, University of Florida; Wei Xiong, University of Pittsburgh; Jason Sebastian, QuesTek Innovations
Tuesday 8:30 AM
February 28, 2017
Location: San Diego Convention Ctr
Session Chair: Carelyn Campbell, National Institute of Standards and Technology; Jason Sebastian, Questek Innovations, LLC
8:30 AM Introductory Comments
8:50 AM Keynote
A History of Materials by Design, and a Very Bright Future: Charles Kuehmann1; 1Space Exploration Technologies
Greg Olson’s vision for Materials by Design started with a simple precept; with the advent of computational tools for thermodynamic, kinetics, and mechanics, can we design materials is the same way that mechanical and electrical components were being designed? Combining systems engineering principles, optimization schemes and stretching the computational capabilities of the 1980s, the first computationally designed material was completed for the space shuttle main turbo-pump bearings. While it wasn’t implemented, the lessons learned refined subsequent efforts, and soon materials designs were underway for car bodies, armor plate, aircraft landing gear, high-power density transmissions, advanced Ni-superalloys and even high-performance bubble gum. Widespread acceptance of Materials by Design was initially slow, but and soon the Accelerated Insertion of Materials and subsequent programs, including the MGI, provided support of the initial ideals of MbD. Today, hundreds of millions of people experience products incorporating computationally designed materials in consumer electronics, transportations and aerospace.
9:30 AM Keynote
Computational Thermodynamics and Materials Design: Zi-Kui Liu1; 1The Pennsylvania State University
Thermodynamics is a science concerning the states of a system whether it is stable, metastable, unstable or any states between. In this presentation, the thermodynamic fundamentals are reviewed and discussed in terms of theory, modeling, and applications. It is demonstrated that CALPHAD (CALculations of PHAse Diagrams) method for modeling of thermodynamic properties of individual phases provides a mechanism to systematically model thermodynamics and other properties of multicomponent systems. The availability of first-principles calculations based on density functional theory has further significantly strengthened the CALPHAD approach, contributing to materials design and Materials Genome®, the improvement of modeling robustness, and the in-depth understanding of materials behaviors such as critical phenomena. Prof. Olson’s pinioning contributions in integrating computational thermodynamics and materials design will be discussed along with the author’s personal interactions with Prof. Olson over the years.
10:10 AM Break
10:40 AM Keynote
Exploring the Dark Continent of Structure-Property Relationships: Mark Eberhart1; 1Colorado School of Mines
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.
11:20 AM Keynote
The Redistribution of Carbon Atoms during Tempering of Martensite: George Smith1; 1University of Oxford
This presentation will provide an overview of work carried out at Oxford using atom probe microanalysis, to establish the distribution of carbon atoms in as-quenched and room-temperature aged martensitic steels, and in steels tempered at elevated temperatures. Much of this work was carried out in collaboration with Professor Greg Olson. A wide range of phenomena have been observed, including segregation of carbon atoms to grain boundaries, twin boundaries and lath boundaries, and to thin films of retained austenite; formation of Cottrell atmospheres at dislocations; coherent clustering of carbon atoms in the martensite matrix, apparently by a spinodal process; and the formation of a succession of carbide phases of increasing stability. The inter-relationships between the atomic-scale processes occurring during the various stages of tempering will be described in detail. The role of alloying elements in the tempering process will also be discussed.