| NSF Org: |
DMR Division Of Materials Research |
| Recipient: |
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| Initial Amendment Date: | September 5, 2013 |
| Latest Amendment Date: | September 5, 2013 |
| Award Number: | 1332851 |
| Award Instrument: | Standard Grant |
| Program Manager: |
John Schlueter
jschluet@nsf.gov (703)292-7766 DMR Division Of Materials Research MPS Directorate for Mathematical and Physical Sciences |
| Start Date: | September 1, 2013 |
| End Date: | August 31, 2018 (Estimated) |
| Total Intended Award Amount: | $1,550,000.00 |
| Total Awarded Amount to Date: | $1,550,000.00 |
| Funds Obligated to Date: |
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| History of Investigator: |
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| Recipient Sponsored Research Office: |
21 N PARK ST STE 6301 MADISON WI US 53715-1218 (608)262-3822 |
| Sponsor Congressional District: |
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| Primary Place of Performance: |
21 North Park Street Madison WI US 53715-1218 |
| Primary Place of
Performance Congressional District: |
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| Unique Entity Identifier (UEI): |
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| Parent UEI: |
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| NSF Program(s): |
OFFICE OF MULTIDISCIPLINARY AC, DMREF |
| Primary Program Source: |
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| Program Reference Code(s): |
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| Program Element Code(s): |
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| Award Agency Code: | 4900 |
| Fund Agency Code: | 4900 |
| Assistance Listing Number(s): | 47.049 |
ABSTRACT
****Technical Abstract****
This project supports development of a new, iterative alloy design methodology for bulk metallic glass (BMG) alloys that advances the objectives of the Materials Genome Initiative (MGI). This development requires a comprehensive approach, treating dynamics in the liquid, which are essential to the glass transition, and crystallization, which must be avoided to form a glass, on an equal footing, connected by the structure of the liquid and the glass. Achieving this goal requires the integration of experiments and simulations with tight feedback. The experiments include novel high-thermal-rate, high-throughput flash DSC to measure entire time-temperature-transformation curves and liquid fragility, and fluctuation electron microscopy (FEM) to measure new, otherwise inaccessible information about nanoscale structural order. Simulations include accelerated molecular dynamics to connect structure to liquid dynamics and crystallization along with the development and release of a new reverse structure determination software tool incorporating FEM data and ab initio Hamiltonians using genetic optimization and Bayesian statistics. The new methodology will be applied to develop new, bulkier Al-based metallic glasses, starting from the Al-Sm and Al-La systems, stabilized by minor alloying. A larger goal is to uncover fundamental new connections between composition, structure, atom dynamics, and crystallization; these will be used to create general, intuitive, cluster design rules to develop new BMGs.
****Non-Technical Abstract****
Bulk metallic glasses (BMGs) are alloys that can be cooled from the liquid without crystallization, resulting in a glassy, amorphous solid. Sufficiently stable BMGs can be processed like plastics if the temperature is held in the supercooled liquid region, resulting in net-shape, seamless forming of complicated shapes by blow molding and rapid fabrication of nanostructures across large areas by hard-mask imprinting. New applications include packaging, arterial stents, water purification, and miniature gears and springs. This project will develop a new methodology for discovering new BMG alloys using an iterative strategy of state-of-the-art experimental and computational tools that advances the objectives of the Materials Genome Initiative (MGI). The method requires the integration of experiments and simulations with tight feedback between the four investigators with complimentary expertise to provide new scientific insights. The novel integrated computational and experimental approach, combining structure up to the nanometer scale and the kinetics of both glass formation and crystallization, may be transformative in yielding a unique combination of tools and approaches that may lead to a general method to design new BMGs alloys for a variety of applications. This project supports the education of students and post-docs in combined experimental and computational materials research in a collaborative environment, and development of outreach materials and demonstrations for younger students and the general public.
This award is funded by the Division of Materials Research (DMR) and the Division of Mathematical Sciences (DMS).
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH
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PROJECT OUTCOMES REPORT
Disclaimer
This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.
One of the fundamental problems in studying complex, disordered materials like glasses is answering the question “Where are all the atoms?” If we know where all the atoms are in a glass – how they are arranged, what sort of patterns they create – we’ve taken a big step toward designing glasses with particular properties for specific applications, like ultrahigh strength combined with light weight. This project has created two new software tools to help scientists solve this problem. One tool creates models of the atoms in a glass by combining everything we know about a glass from different kinds of experiments and from theories. The other tool then uses advanced methods in artificial intelligence to discover important patterns in those models which help scientists understand why a particular glass is strong (or not) and how it becomes a glass in the first place. Both of these tools have been released for free on the Internet so other scientists can use them to develop new glassy materials of all types. In addition, based upon high rate thermal analysis we have developed a new experimental tool that is an effective guide in the design of alloy compositions with enhanced glass forming ability.
Last Modified: 11/24/2018
Modified by: John H Perepezko
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