A new approach to the characterization of nanomaterials: Predicting Young's modulus by correlation weighting of nanomaterials codes

Andrey A. Toropov, Jerzy Leszczynski

Research output: Contribution to journalArticle

Abstract

Twenty-nine nanomaterials (atom composition and conditions of syntheses) have been studied. Their characteristics were applied to predictions of Young's modulus values (in GPa). The obtained statistical characteristics of the models are reasonably good, n = 21, r2 = 0.9757, s = 18.3 GPa, F = 761 (training set) and n = 8, r2 = 0.8952, rpred 2 = 0.8880, s = 34.7 GPa, F = 51 (test set).

Original languageEnglish
Pages (from-to)125-129
Number of pages5
JournalChemical Physics Letters
Volume433
Issue number1-3
DOIs
Publication statusPublished - Dec 29 2006

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Nanostructured materials
modulus of elasticity
Elastic moduli
Atoms
Chemical analysis
education
synthesis
predictions
atoms

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

A new approach to the characterization of nanomaterials : Predicting Young's modulus by correlation weighting of nanomaterials codes. / Toropov, Andrey A.; Leszczynski, Jerzy.

In: Chemical Physics Letters, Vol. 433, No. 1-3, 29.12.2006, p. 125-129.

Research output: Contribution to journalArticle

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