On the elastic behavior of composition-modulated superlattices

Journal Article · Sat Jun 01 04:00:00 EDT 1991 · Journal of Materials Research; (USA)

DOI:https://doi.org/10.1557/JMR.1991.1207· OSTI ID:5589630

Jaszczak, J A; Wolf, D ^[1]

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1. Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (USA)

Atomistic computer simulations are used to systematically investigate the role of interfacial disorder on the elastic behavior of composition-modulated superlattices of fcc metals, represented by simple Lennard-Jones potentials. The structures, energies, and average elastic properties of four types of superlattices with various degrees of interfacial disorder are computed as a function of the modulation wavelength along (001). The four superlattice types studied include perfectly coherent, incoherent, and two types derived from these by introducing relative twists about (001) between alternating layers. A 20% lattice-parameter mismatch between the two modulating materials is assumed. Results are compared with our earlier work on unsupported thin films, grain-boundary superlattices, and incoherent superlattices with a 10% lattice-parameter mismatch. The degree of structural disorder at the interfaces is found to correlate well with the magnitude of the elastic anomalies, which cannot be accounted for by anisotropic lattice-parameter changes alone. The grain-boundary superlattices studied earlier are found to provide a good model limit for the elastic behavior of interfacially disordered dissimilar-material superlattices.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 5589630
• Journal Information: Journal of Materials Research; (USA), Journal Name: Journal of Materials Research; (USA) Vol. 6:6; ISSN JMREE; ISSN 0884-2914
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102 -- Metals & Alloys-- Structure & Phase Studies
360103 -- Metals & Alloys-- Mechanical Properties
656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CHEMICAL COMPOSITION
COMPUTERIZED SIMULATION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELASTICITY
ELEMENTS
FCC LATTICES
LENNARD-JONES POTENTIAL
MECHANICAL PROPERTIES
METALS
MODULATION
POTENTIALS
SIMULATION
SUPERLATTICES
TENSILE PROPERTIES