Hostname: page-component-cd9895bd7-lnqnp Total loading time: 0 Render date: 2024-12-27T13:00:12.387Z Has data issue: false hasContentIssue false
  • English
  • Français

Progress in nanoinformatics and informational materials science

Published online by Cambridge University Press:  10 September 2018

Atsuto Seko ,
Kazuaki Toyoura ,
Shunsuke Muto ,
Teruyasu Mizoguchi  and
Scott Broderick
Atsuto Seko
Affiliation:
Department of Materials Science and Engineering, Kyoto University, Japan; seko@cms.mtl.kyoto-u.ac.jp
Kazuaki Toyoura
Affiliation:
Department of Materials Science and Engineering, Kyoto University, Japan; toyoura.kazuaki.5r@kyoto-u.ac.jp
Shunsuke Muto
Affiliation:
Institute of Materials and Systems for Sustainability, and Ultra-High Voltage Electron Microscopy Laboratory, Nagoya University, Japan; smuto@imass.nagoya-u.ac.jp
Teruyasu Mizoguchi
Affiliation:
Institute of Industrial Science, The University of Tokyo, Japan; teru@iis.u-tokyo.ac.jp
Scott Broderick
Affiliation:
Department of Materials Design and Innovation, University at Buffalo, The State University of New York, USA; scottbro@buffalo.edu
Get access

Abstract

Data-centric approaches have become increasingly popular in materials science, also known as informational materials science. Nanostructures often play essential roles in materials properties. Nanoinformatics is an important subset of informational materials science and a powerful tool for characterization and design of nanostructures. It allows discovery of meaningful and useful information and patterns from experimental and theoretical data and databases. This article reviews progress in nanoinformatics and informational materials science. Data-centric approaches for materials property description, construction of interatomic potentials, discovery of new inorganic compounds, efficient characterization of ionic transport and interfacial structures, hyperspectral image data analysis, and design of catalytic nanoparticles are outlined.

Keywords

nanostructuregrain boundariestransmission electron microscopy (TEM)electron energy loss spectroscopy (EELS)catalytic
Type
Data-Centric Science for Materials Innovation
Information
MRS Bulletin , Volume 43 , Issue 9: Data-Centric Science for Materials Innovation , September 2018 , pp. 690 - 695
Copyright
Copyright © Materials Research Society 2018 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Tanaka, I., Ed., Nanoinformatics (Springer, Singapore, 2018).CrossRefGoogle Scholar
Seko, A., Hayashi, H., Nakayama, K., Takahashi, A., Tanaka, I., Phys. Rev. B Condens. Matter 95, 144110 (2017).CrossRefGoogle Scholar
Seko, A., Maekawa, T., Tsuda, K., Tanaka, I., Phys. Rev. B Condens. Matter 89, 054303 (2014).CrossRefGoogle Scholar
Seko, A., Togo, A., Hayashi, H., Chaput, L., Tsuda, K., Tanaka, I., Phys. Rev. Lett. 115, 205901 (2015).CrossRefGoogle Scholar
Lee, J., Seko, A., Shitara, K., Nakayama, K., Tanaka, I., Phys. Rev. B Condens. Matter 93, 115104 (2016).CrossRefGoogle Scholar
Behler, J., Parrinello, M., Phys. Rev. Lett. 98, 146401 (2007).CrossRefGoogle Scholar
Bartók, A.P., Payne, M.C., Kondor, R., Csányi, G., Phys. Rev. Lett. 104, 136403 (2010).CrossRefGoogle Scholar
Seko, A., Takahashi, A., Tanaka, I., Phys. Rev. B Condens. Matter 90, 024101 (2014).CrossRefGoogle Scholar
Seko, A., Takahashi, A., Tanaka, I., Phys. Rev. B Condens. Matter 92, 054113 (2015).CrossRefGoogle Scholar
Takahashi, A., Seko, A., Tanaka, I., Phys. Rev. Mater. 1, 063801 (2017).CrossRefGoogle Scholar
Takahashi, A., Seko, A., Tanaka, I., J. Chem. Phys. 148, 234106 (2018).CrossRefGoogle Scholar
Seko, A., Hayashi, H., Kashima, H., Tanaka, I., Phys. Rev. Mater. 2, 013805 (2018).CrossRefGoogle Scholar
Seko, A., Hayashi, H., Tanaka, I., J. Chem. Phys. 148, 241719 (2018).CrossRefGoogle Scholar
Kanamori, K., Toyoura, K., Honda, J., Hattori, K., Seko, A., Karasuyama, M., Shitara, K., Shiga, M., Kuwabara, A., Takeuchi, I., Phys. Rev. B Condens. Matter 97, 125124 (2018).CrossRefGoogle Scholar
Toyoura, K., Hirano, D., Seko, A., Shiga, M., Kuwabara, A., Karasuyama, M., Shitara, K., Takeuchi, I., Phys. Rev. B Condens. Matter 93, 054112 (2016).CrossRefGoogle Scholar
Kiyohara, S., Oda, H., Miyata, T., Mizoguchi, T., Sci. Adv. 2, e1600746 (2016).CrossRefGoogle Scholar
Kiyohara, S., Oda, H., Tsuda, K., Mizoguchi, T., Jpn. J. Appl. Phys. 55, 2 (2016).CrossRefGoogle Scholar
Kikuchi, S., Oda, H., Kiyohara, S., Mizoguchi, T., Physica B 532, 24 (2016).CrossRefGoogle Scholar
Oda, H., Kiyohara, S., Tsuda, K., Mizoguchi, T., J. Phys. Soc. Jpn. 86, 123601 (2017).CrossRefGoogle Scholar
Shiga, M., Tatsumi, K., Muto, S., Tsuda, K., Yamamoto, Y., Mori, T., Tanji, T., Ultramicroscopy 170, 43 (2016).CrossRefGoogle Scholar
Kojima, Y., Muto, S., Tatsumi, K., Kondo, H., Oka, H., Horibuchi, K., Ukyo, Y., J. Power Sources 196, 7721 (2011).CrossRefGoogle Scholar
Muto, S., Tatsumi, K., Microscopy 66, 39 (2017).Google ScholarPubMed
Spiegelberg, J., Muto, S., Ohtsuka, M., Pelckmans, K., Rusz, J., Ultramicroscopy 182, 205 (2017).CrossRefGoogle Scholar
Cichocki, A., Mandic, D.P., De Lathauwer, L., Zhou, G., Zhao, Q., Caiafa, C.F., Phan, A.H., IEEE Signal Process. Mag. 32, 145 (2015).CrossRefGoogle Scholar
Sorber, L., Van Barel, M., De Lathauwer, L., IEEE J. Sel. Top. Signal Process. 9, 586 (2015).CrossRefGoogle Scholar
Rusz, J., Muto, S., Spiegelberg, J., Adam, R., Tatsumi, K., Bürgler, D.E., Oppeneer, P.M., Schneider, C.M., Nat. Commun. 7, 12672 (2016).CrossRefGoogle Scholar
Fischer, C.C., Tibetts, K.J., Morgan, D., Ceder, G., Nat. Mater. 5, 641 (2006).CrossRefGoogle Scholar
Trimarchi, G., Zunger, A., Phys. Rev. B Condens. Matter 75, 104113 (2007).CrossRefGoogle Scholar
Jóhannesson, G.H., Bligaard, T., Ruban, A.V., Skriver, H.L., Jacobsen, K.W., Norskov, J.K., Phys. Rev. Lett. 88, 255506 (2002).CrossRefGoogle Scholar
Andriotis, A., Mpourmpakis, G., Broderick, S., Rajan, K., Datta, S., Sunkara, M., Menon, M., J. Chem. Phys. 140, 094705 (2014).CrossRefGoogle Scholar
Balachandran, P.V., Broderick, S.R., Rajan, K., Proc. R. Soc. Lond. A 467, 2271 (2011).CrossRefGoogle Scholar
Srinivasan, S., Broderick, S.R., Zhang, R., Mishra, A., Sinnott, S.B., Saxena, S.K., LeBeau, J.M., Rajan, K., Sci. Rep. 5, 17960 (2015).CrossRefGoogle Scholar
Broderick, S., Ray, U., Srinivasan, S., Rajan, K., Appl. Phys. Lett. 104, 243110 (2014).CrossRefGoogle Scholar
Rajan, K., Annu. Rev. Mater. Res. 45, 153 (2015).CrossRefGoogle Scholar
Wodo, O., Broderick, S., Rajan, K., MRS Bull. 41, 603 (2016).CrossRefGoogle Scholar
Ruban, A., Hammer, B., Stoltze, P., Skriver, H.L., Norskov, J.K., J. Mol. Catal. A Chem. 115, 421 (1997).CrossRefGoogle Scholar
Greeley, J., Norskov, J.K., Mavrikakis, M., Annu. Rev. Phys. Chem. 53, 319 (2002).CrossRefGoogle Scholar