Award Abstract # 1235535
DMREF/GOALI: High Efficiency Hierarchical Thermoelectric Composites by Multiscale Materials Design and Development

NSF Org: CMMI
Division of Civil, Mechanical, and Manufacturing Innovation
Recipient: UNIVERSITY OF WASHINGTON
Initial Amendment Date: September 10, 2012
Latest Amendment Date: September 10, 2012
Award Number: 1235535
Award Instrument: Standard Grant
Program Manager: Alexis Lewis
alewis@nsf.gov
 (703)292-2624
CMMI
 Division of Civil, Mechanical, and Manufacturing Innovation
ENG
 Directorate for Engineering
Start Date: September 15, 2012
End Date: August 31, 2016 (Estimated)
Total Intended Award Amount: $900,000.00
Total Awarded Amount to Date: $900,000.00
Funds Obligated to Date: FY 2012 = $900,000.00
History of Investigator:
  • Jihui Yang (Principal Investigator)
    jihuiy@uw.edu
  • Alex Jen (Co-Principal Investigator)
  • Jiangyu Li (Co-Principal Investigator)
  • James Salvador (Co-Principal Investigator)
Recipient Sponsored Research Office: University of Washington
4333 BROOKLYN AVE NE
SEATTLE
WA  US  98195-1016
(206)543-4043
Sponsor Congressional District: 07
Primary Place of Performance: University of Washington
WA  US  98195-2120
Primary Place of Performance
Congressional District:
07
Unique Entity Identifier (UEI): HD1WMN6945W6
Parent UEI:
NSF Program(s): GOALI-Grnt Opp Acad Lia wIndus,
Mechanics of Materials and Str
Primary Program Source: 01001213DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 022E, 024E, 083E, 1444, 1504, 8021, 8025, 9161, AMPP
Program Element Code(s): 150400, 163000
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.041

ABSTRACT

The objective of this proposal is to develop high efficiency thermoelectric composites. We propose a new hierarchical multiscale strategy to develop high efficiency thermoelectric composites that build upon atomistic-nano-continuum computation guided material design; interfacial modification techniques; bulk functional gradient approaches; and nano-to-continuum characterization methodologies that are being developed at the University of Washington and at the General Motors R&D Center. We will apply these methodologies to solve critical problems of designing and developing high efficiency thermoelectric composites. There are three main tasks: 1. determining the optimized atomistic composition, molecular surface modification, and macroscopic morphology with first-principles, perturbation theory, and continuum modeling; 2. synthesizing bulk thermoelectric composites containing nano-scale grain with surface modifications and macroscopic functional gradients; and 3. characterizing electron and phonon transport from the molecular to the macro-scale. These tasks extend existing modeling and experimental capabilities, provide new understanding of interfacial and functional gradient electron and phonon scattering mechanisms, and directly interface with industrial development of thermoelectric waste heat recovery technology for improved fuel economy.

Hierarchical multiscale composites are chosen for their potential to have the greatest impact on understanding nano-to-macro electron and phonon transport on thermoelectric properties of materials as well as their industrial development. Connecting fundamental electronic structure studies of alloys and interfaces at the atomistic scale and bridging this to continuum modeling for new materials design; coupling with materials synthesis and characterization for validation; and direct incorporation in industrial usage is a potentially transformative concept in materials science and engineering. It offers the promise to move beyond the existing trial-and-error approaches, and the combined talents of the academic-industrial collaboration with GOALI are uniquely positioned to meet this challenge. The long-term impact of this project is a reduction in global energy demands through increased efficiency and reduction in U.S. dependency on foreign energy sources without compromising safety in the transportation industry, as well as many other industrial sectors. GOALI?s direct industrial partnership accelerates the assimilation of basic science research into industrial practice. Besides the indicated long-term societal benefits, a key component of this proposal is the education of students and postdocs for the twenty-first century workforce and efforts to increase diversity in science and engineering, as well as outreach to K12 schools. GOALI also involves students directly in connecting science to industrial technology development.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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(Showing: 1 - 10 of 27)
Duan, B., Yang, Jiong, Salvador, J. R., He, Y., Zhao, B., Wang, S., Wei, P., Ohuchi, F. S., Zhang, W., Hermann, R. P., Gourdon, O., Mao, S. X., Cheng, Y., Wang, C., Liu, J., Zhai, P., Tang, X., Zhang, Q., and Yang, J. "Electronegative Guests in CoSb3" Energy & Environmental Science , v.9 , 2016 , p.2090
Liu, Yunya, Luqin Chen, and Jiangyu Li ""Precipitate morphologies of pseudo binary Sb2Te3?PbTe thermoelectric compounds" Acta Materialia , v.65 , 2014 , p.308
Qiu, P., Shi, X., Qiu, Y., Huang, X., Wan, S., Zhang, W., Chen, L, and Yang, J., "Enhancement of thermoelectric performance in slightly chargecompensatedCeyCo4Sb12 skutterudites" Applied Physics Letters , v.103 , 2013 , p.062103
Qiu, W., Wu, L., Ke, X., Yang, J., and Zhang, W. "Diverse lattice dynamics in ternary Cu-Sb-Se compounds" Sci. Rep. , v.5 , 2015 , p.13643
Thompson, D. R.,, Liu, C., Yang, Jiong, Salvador, J. R., Haddad, D. B., Ellison, N. D., Waldo, R. A, and Yang, Jihui "Rare-earth free p-type filled skutterudites: Mechanisms for low thermal conductivity and effects of Fe/Co ratio on the band structure and charge transport" Acta Materialia , v.92 , 2015 , p.152
Wang, S., Salvador, J. R., Yang, Jiong, Wei, P., Duan, B., and Yang, J. "High performance n-type YbxCo4Sb12: from partially filled skutterudites towards composite thermoelectrics" NPG Asia Materials , v.8 , 2016 , p.e285 10.1038/am.2016.77
Wang, S., Sun, Y., Yang, J., Duan, B., Wu, L., Zhang, W., and Yang, Jihui "High thermoelectric performance in Te-free (Bi,Sb)2Se3 by structural transition induced band convergence and chemical bond softening" Energy & Environmental Science , v.9 , 2016 , p.3436
Wang, S., Yang, Jiong, Wu, L., Wei, P., Zhang, W., Yang, J. "On Intensifying Carrier Impurity Scattering to Enhance Thermoelectric Performance in Cr?Doped CeyCo4Sb12" Adv. Funct. Mater. , v.25 , 2015 , p.6660
Wang, S., Yang, J., Toll, T., Yang, Jihui, Zhang, W., and Tang, X. "Conductivity-limiting bipolar thermal conductivity in semiconductors" Scientific Reports , v.5 , 2015 , p.10136 10.1038/srep10136
Wang, S., Yang, J., Wu, L., Wei, P., Yang, Jihui, Zhang, W., and Grin, Y. "Anisotropic Multicenter Bonding and High Thermoelectric Performance in Electron-Poor CdSb" Chem. Mater. , v.27 , 2015 , p.1071
Wang, X., Qiu, P., Zhang, T., Ren, D., Wu, L., Shi, X., Yang, J., and Chen, L. "Compound defects and thermoelectric properties in ternary CuAgSe-based materials" J. Mater. Chem. A , 2015 10.1039/C5TA02721G
(Showing: 1 - 10 of 27)

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.

High efficiency thermoelectric materials have substantial commercialization potentials in a wide range of fields, including microelectronics for effective heat rejection, in automobile industry for waste heat recovery, and for potential use in solar energy harvesting, distributed heating ventilation and air conditioning.  Thermoelectric waste heat recovery systems could ssubstantial increase in fuel economy and reduction in the carbon footprint, and thus reduce our dependence on foreign oils.  The project is to design and develop high efficiency hierarchical thermoelectric composites with figure of merit > 2, built on (1) atomistic-nano-continuum computational tools; (2) molecular surface/interface engineering and bulk functional gradient techniques; and (3) nano-to-continuum characterization methodologies.  In the past four years, the project team has made significant progress in a number of areas, including the synthesis and development of high efficiency Bi2Te3 nanocomposites that possess superior thermoelectric performance, the discovery of a number of new thermoelectric compositions and materials, the development of nonlinear continuum model tools that could accurately assess the effect of composite structure on thermoelectric properties of composites, and the establishment of scanning probe techniques that probe local electrical and thermal transport in composite materials.  We have published more than 30 peer reviewed papers in high quality scientific journals.  Our work has broadened materials classes that high efficiency thermoelectric materials could be found, demonstrated the importance of mixed chemical bonds for thermoelectric materials.  The experimental and theoretical tools developed could be used for many other fields of materials research such as solid electrolytes, inclusion compounds, topological insulators, and etc. 


Last Modified: 12/30/2016
Modified by: Jihui Yang

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