Vibrational spectrum of alpha-Fe nanoparticles / Kislov AN,Mazurenko VG // PHYSICS OF METALS AND METALLOGRAPHY. - 2004. - V. 98, l. 4. - P. 355-359.

ISSN/EISSN:

0031-918X / нет данных

Type:

Article

Abstract:

Model calculations of the atomic structure and density of vibrational states in spherically symmetric nanoparticles of alpha-Fe were performed based on the many-body potential of interatomic interaction. The calculation of the equilibrium atomic configuration of a nanoparticle has been performed in terms of a static approach. The calculations of the vibrational spectra were carried out using the recursive method. Changes in the shape of the local density of vibrational states in atoms located in various sites of a nanoparticle have been investigated. The important role of elastic lattice distortions upon simulation of vibrational spectra of nanoparticles is noted. The model used for the calculations permits one to describe some features of the density of vibrational states of alpha-Fe nanograins and their contribution to the formation of the vibrational spectrum of nanocrystalline alpha-Fe.

Author keywords:

IRON; CRYSTALS; DEFECTS

DOI:

нет данных

Web of Science ID:

ISI:000225169400003

Соавторы в МНС:

Другие поля

Поле	Значение
Month	OCT
Publisher	INTERPERIODICA
Address	PO BOX 1831, BIRMINGHAM, AL 35201-1831 USA
Language	English
Keywords-Plus	IRON; CRYSTALS; DEFECTS
Research-Areas	Metallurgy \& Metallurgical Engineering
Web-of-Science-Categories	Metallurgy \& Metallurgical Engineering
Number-of-Cited-References	18
Journal-ISO	Phys. Metals Metallogr.
Doc-Delivery-Number	871XH