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A Combined Experiment and Simulation Approach to the Design of New Bulk Metallic Glasses

MD simulations of a system in which supercooled liquid coexists with crystalline Al. Every system has been annealed at 700K for 0.20 ns. The plot shows the number of FCC atoms as a function of time (ns). We found that increasing the Sm concentration inside the supercooled liquid delays (and even suppresses) the crystallization is delayed or even suppressed to facilitate glass formation.

A Combined Experiment and Simulation Approach to the Design of New Bulk Metallic Glasses

PIs:  John H. Perepezko, Paul M. Voyles, Dane Morgan, Izabela Szlufarska, (UW-Madison)

Graduate Students and Postdoctoral Fellows: Min Yu, George Bokas, Jason Maldonis, Ye Shen (UW-Madison)
NSF DMR-1332851

Bulk metallic glasses are a new class of metal alloys with a variety of attractive properties. However, applications have lagged because scientists cannot predict which combinations of elements can be cooled from the liquid to yield a glassy atomic alloy structure in large sizes. This project will develop a new methodology for accelerated discovery of new metallic glasses with desired properties through tight integration of computation and experiment that advances the objectives of the Materials Genome Initiative.

For more information:

UW-MGI Research Project

photo caption: MD simulations of a system in which supercooled liquid coexists with crystalline Al. Every system has been annealed at 700K for 0.20 ns. The plot shows the number of FCC atoms as a function of time (ns). Researchers found that increasing the Sm concentration inside the supercooled liquid delays (and even suppresses) the crystallization of glass formation.