Abstract
Predicting materials performance, as well as designing and discovering new multifunctional and structural materials, demand a greater understanding of how heterogeneities and novel properties emerge at the mesoscale. Similarly, advances in computation and temporal and spatially resolved in situ measurements at light sources delivering coherent X-rays using XFELs, will allow us to probe the underlying physics of collective behavior. We review broadly some of the outstanding challenges that lay ahead in bringing together theory, experiments and computation in understanding and designing multifunctional and structural materials. Exascale computation and the development of innovative information theoretic tools, within the paradigm of codesign, promise exciting developments as we bridge the gap in our understanding of the mesoscale under extreme conditions and learn to design materials with targeted properties.
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Acknowledgments
This perspective represents a synthesis of ideas that have evolved in the course of my efforts related to the LANL signature facility concept, MaRIE (Matter Radiation in Extremes), the ExMatEx (Exascale Materials in Extremes) Codesign Center, as well as the materials informatics initiative at LANL. I am grateful to many colleagues over the last 2–6 years connected directly and indirectly with these programs for numerous discussions. In particular, I thank Avadh Saxena, Alan Bishop, John Sarrao, Frank Alexander, John Wills, Jack Shlachter, Frank Addessio, Curt Bronkhorst, Tim Germann, Ed Kober, Toby Shearman, Kip Barros, Jim Gubernatis, James Theiler, Eli Ben-Naim, Ed Dougherty and Krishna Rajan for many stimulating insights.
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Lookman, T. (2014). Heterogeneities, The Mesoscale and Multifunctional Materials Codesign: Insights and Challenges. In: Saxena, A., Planes, A. (eds) Mesoscopic Phenomena in Multifunctional Materials. Springer Series in Materials Science, vol 198. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-55375-2_3
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