Vol. 15, no.1, 2023
РусскийEnglish
NANOSYSTEMS
Digital Twins in Graphene’ Technology
Elena F. Sheka
Peoples’ Friendship University of Russia, http://www.rudn.ru/
Moscow 117198, Russian Federation
E-mail: sheka@icp.ac.ru
Received December 02, 2022, peer-reviewed December 09, 2022, accepted December 16, 2022
Abstract: The Digital Twins concept in science has a long history that goes back to the beginnings of now widely accepted modelling. The ever-expanding amount of digital data accompanying modelling could not but cause a qualitative transition from modelling, subordinated to the goal of reproducing a real object, to an equal-right Digital Twins concept that offers an independent view of the real object. This chapter presents the first example of such a conceptual rethinking, using the example of material science of high-tech graphene materials.
Keywords: hybrid simulation, graphene domain derivatization, virtual spectrometer, Hartree-Fock approximations, IR and Raman spectra, atomic chemical susceptibility, domain spin density
UDC 004.942, 547.022.1
RENSIT, 2023, 15(1):59-80e DOI: 10.17725/rensit.2023.15.059
Full-text electronic version of this article - web site http://en.rensit.ru/vypuski/article/482/15(5)59-80e.pdf