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Center for Materials by Design

Center for Materials by Design. Superconductors, photovoltaics, energy harvesting, pyroelectrics , multiferroics , armor materials, chemical sensing, …. Theoretical Design Material synthesis Properties Applications

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Center for Materials by Design

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  1. Center for Materials by Design Superconductors, photovoltaics, energy harvesting, pyroelectrics, multiferroics, armor materials, chemical sensing, … • Theoretical Design • Material synthesis • Properties • Applications There is an empty niche in material research in the US which used to be filled by Bell Labs, IBM, etc.: curiosity driven fundamental research. Almost all grant and industrial funded research in the world is incremental. This fits into our existing strengths, high-pressure research, X-ray, neutron, and spectroscopic microanalysis

  2. Examples of new materials by design • Ordered polar oxynitrides • We predicted materials such as YSiO2N would have large non-linear optic coefficients • Applications as frequency doublers, communications, optical computing. • No one has made it—insufficient resources for such exploratory work. • High coupling piezoelectrics designed using the concept of chemical pressure • Pb(Sn,Ti)O3 and Pb(Sn,Zr)O3 • Lattice matched to SrTiO3 • Ideal for artificial insect wings

  3. Ronald Cohen: Materials by Design Existing materials (PZT) artifical flying insects: Polarization Rotation Nature 2000 PT under pressure: Largest electromechanical coupling of any known material High Power Density Bimorph Actuator (Oct. 2007) Dynamometer testing  shows energy delivery of 19 uJ per cycle from a 10 mg PZT bimorph actuator, with power delivery of > 450 W/kg at 270 Hz. (By comparison, the smallest motor available at 70 mg has power density < 100 W/kg).Steltz&Fearing, IROS 2007 MPB under pressure Nature 2008 New material: PSnZ, PSnT YSiO2N APL 2007 P(P4mm) = 0.54 C/m2 , ECm – EP4mm = -5 meV/at PbSnTiO3 on SrTiO3

  4. Designing new Piezocrystals for transducers using chemical pressure • As a test of new methods to predict piezoelectric constants we tried the classic ferroelectric PbTiO3, and then used the code to predict piezoelectric constants under pressure. • We found surprising an unexpected morphotropic phase boundary under pressure, with piezoelectric constants higher than any known material. (Published in Physical Review Letters, Wu and Cohen, 2005) • We performed cryogenic high pressure Raman and high resolution synchrotron X-ray experiments to verify the theory. (Published in Nature, Ahart et al., 2008) • We are now using the idea if chemical pressure to find new materials with large electromechanical coupling under ambient conditions. 2. Prediction of large coupling under pressure 3. Experimental verification 4. New materials

  5. Costs for Materials by Design Possible leveraging: DCO, NSF innovative cyber-infrastructure, long-term: patent licensing profits

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