Nanoinformatics

ISBN-13: 9789811076169 / Angielski / Twarda / 2018 / 298 str.

Isao Tanaka

Opis

The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.

Spis treści

1. Descriptors for Machine Learning of Materials Data.- 2. Potential Energy Surface Mapping of Charge Carriers in Ionic Conductors Based on a Gaussian Process Model.- 3. Machine learning predictions of factors affecting the activity of heterogeneous metal catalysts.- 4. Machine Learning-based Experimental Design in Materials Science.- 5. Persistent homology and materials informatics.- 6. Polyhedron and Polychoron codes for describing Atomic Arrangements.- 7. Topological Data Analysis for the Characterization of Atomic Scale Morphology from Atom Probe Tomography Images.- 8. Atomic-scale nanostructures by advanced electron microscopy and informatics.- 9. High spatial resolution hyperspectral imaging with machine-learning techniques.- 10. Fabrication, Characterization, and Modulation of Functional Nanolayers.- 11. Grain Boundary Engineering of Alumina Ceramics.- 12. Structural relaxation of oxide compounds from the high-pressure phase.-13.Synthesis and structures of novel solid-state electrolytes.

O autorze

Isao TANAKA is a professor in the Department of Materials Science and Engineering at Kyoto University in Japan. He has joint appointments as a director of the Center for Elements Strategy Initiative for Structural Materials (ESISM), Kyoto University, Japan, a senior chief researcher of Japan Fine Ceramics Center (JFCC), Nagoya, Japan, and in the Center for Materials Research by Information Integration (MI2I), NIMS, Japan. He is also the leader of a Grant-In-Aid Project of Scientific Research on Innovative Areas of JSPS, Japan on “Nanoinformatics” (2014-2018) with eight other Pis in multiple institutes. 

His research area covers first principles theory and experiments in the field of inorganic materials science. He got international awards including Philip Franz von Siebold Prize from German Government in 2008 and Richard M. Fulrath Award from American Ceramics Society in 2004. He is an associate editor of the Journal of American Ceramics Society. He is author and coauthor of 364 papers mostly in highly prestigious journals which have gotten totally 8247 citations (h-index 42).

Blurb

This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering. 

This book is open access under a CC BY license.