Effect of vacancies on the vibrational spectrum of alpha-Fe / Kislov AN,Mazurenko VG // PHYSICS OF METALS AND METALLOGRAPHY. - 2003. - V. 96, l. 5. - P. 439-445.

ISSN/EISSN:

0031-918X / нет данных

Type:

Article

Abstract:

Calculations of the local atomic structure and vibrational spectra of alpha-Fe crystals with vacancies have been performed using an empirical pair potential of interatomic interaction. The calculations of the vibrational spectra were carried out in real space on the basis of a cluster consisting of 20 000 atoms using the recursive method with allowance for the symmetry of the defect region. Resonance vibrations of various symmetry types induced by vacancies have been separated.

Author keywords:

BCC TRANSITION-METALS; CUBIC-CRYSTALS; POINT-DEFECT; COMPUTER-SIMULATION; LATTICE-VIBRATIONS; IRON; POTENTIALS; ENERGY; RELAXATION; CLUSTERS

DOI:

нет данных

Web of Science ID:

ISI:000187027600001

Соавторы в МНС:

Другие поля

Поле	Значение
Month	NOV
Publisher	INTERPERIODICA
Address	PO BOX 1831, BIRMINGHAM, AL 35201-1831 USA
Language	English
Keywords-Plus	BCC TRANSITION-METALS; CUBIC-CRYSTALS; POINT-DEFECT; COMPUTER-SIMULATION; LATTICE-VIBRATIONS; IRON; POTENTIALS; ENERGY; RELAXATION; CLUSTERS
Research-Areas	Metallurgy \& Metallurgical Engineering
Web-of-Science-Categories	Metallurgy \& Metallurgical Engineering
Number-of-Cited-References	28
Journal-ISO	Phys. Metals Metallogr.
Doc-Delivery-Number	750ZD