Interfacial Strengthening in Semi-Coherent Metallic Multilayers

1994 ◽  
Vol 362 ◽  
Author(s):  
S. I. Rao ◽  
P. M. Hazzledine ◽  
D. M. Dimiduk

AbstractExperimental results show that a nanolayered composite structure made of two kinds of metals strengthens dramatically as the layer thickness is reduced. In epitaxial systems, this strengthening has been attributed classically, to the modulus and lattice parameter mismatches between adjacent layers. The modulus mismatch introduces a force between a dislocation and its image in the interface. The lattice parameter mismatch generates stresses and mismatch dislocations which interact with mobile dislocations. In addition to these two interactions, there is the difficulty of operating a Frank-Read source in any very thin layer. However, the calculations suffer from the drawback that elasticity theory is being used at such short range from the dislocations that it is not strictly valid. In this paper the issues in strengthening of multilayer systems are defined within a simple analytical model. Additionally, a parametric approach using the atomistic embedded atom method (EAM), is developed to study, dislocation-interface interactions in metallic multilayers. Preliminary results of the atomistic calculations verify that Koehler strengthening is significant especially when the lamellae are very thin. For thicker lamellae the lattice parameter mismatch effects, which have been modelled within continuum theory, contribute increasingly to the strength. In Cu-Ni, the peak in the yield stress occurs when single dislocations must overcome both barriers. The yield stress drops in thicker lamellae as pile ups of increasing length form in the lamellae, finally conforming to the Hall-Petch equation.

1992 ◽  
Vol 291 ◽  
Author(s):  
Ademola Taiwo ◽  
Hong Yan ◽  
Gretchen Kalonji

ABSTRACTThe structure and elastic properties of Ni/Cu and Ni/Au multilayer systems are investigated as a function of the number of Ni monolayers built into the systems. We employed lattice statics simulations with the interatomic potentials described by the embedded-atom method. For the Ni/Cu systems, coherent interfaces and FCC structure are maintained, and no elastic anomaly is found. For the Ni/Au systems, when the Ni layers are thick enough, they undergo a strain-induced phase transformation from FCC to HCP structure. An enhancement of Young’s modulus of these systems is found to be associated with this structural change.


1994 ◽  
Vol 364 ◽  
Author(s):  
J. P. Simmons ◽  
M. J. Mills ◽  
S. I. Rao

AbstractHigh Resolution TEM (HRTEM) observations of a dislocation in γ-TiAl are compared directly with atomistic calculations of dislocation structures performed with atomistic potentials in order to obtain an estimate of the Complex Stacking Fault Energy (γcsf). A value of between 470 and 620 mJ/M2 was obtained. HRTEM observations are presented of a Ti-52AI sample, containing a dislocation with Burgers vector 1/2<110> and 60° line orientation. This image is matched against images simulated from the outputs of Embedded Atom Method (EAM) simulations, using potentials that were fit to bulk γ-TiAl properties. Two atomistic simulation methods were employed in order to give the range of values for γcsf. In the first of these methods, three EAM potentials were used to simulate the stress-free core structure. These were fit so as to produce three different values of γcsf, all other properties being roughly the same as the literature values for γ-TiAI. All of these potentials produced cores that were more extended than the experimental observation. Thus a value of 470 mJ/M2, being the highest value of γcsf obtainable for the EAM potentials, is reported as a low limit estimate of γcsf for γ-TiAl. An upper limit estimate of the value of γcsf was obtained by applying an external ‘Escaig’ stress that forced the Shockley partials to further constrict, simulating the effect of an increase in γcsf, The preliminary value calculated from this procedure was 620 mJ/M2.


1999 ◽  
Vol 578 ◽  
Author(s):  
Satish I. Rao ◽  
Peter M. Hazzledine

AbstractMultilayered Cu-Ni has a peak yield strength four orders of magnitude higher than either Cu or Ni because the multitude of interfaces obstruct glissile dislocations. The barrier strengths of the interfaces may be traced to four mismatches across an interface: modulus, lattice parameter, chemical and slip geometry. This paper describes sample embedded atom method (EAM) simulations of dislocations crossing interfaces, designed to separate the effects of the four mismatches. The results confirm some classical calculations and emphasize the importance of three new effects (i) an interface-chemical effect in which dislocations are trapped by core spreading in the interface, (ii) a coherency-chemical effect caused by coherency strains changing effective stacking fault energies and (iii) a coherency-modulus effect in which coherency strains change elastic moduli (and hence the Koehler stress) significantly.


1986 ◽  
Vol 83 ◽  
Author(s):  
Brian W. Dodson ◽  
Paul A. Taylor

ABSTRACTUnderstanding of the growth, stability, and structural properties of coherently strained metal overlayers has achieved considerable importance because of the recent discovery of unique interfacial electronic states and catalytic properties of such systems. The structural stability of coherently strained metal films grown on a substrate composed of a different and lattice-mismatched metal is determined via atomistic calculations. An equilibrium energy balance criterion is used, which is evaluated with a Monte Carlo annealing optimization procedure in which the structural energy of the bimetallic system is obtained using the embedded atom method. The stability of coherently strained (100) bimetallic structures chosen from combinations of the fcc metals Ag, Au, Cu, Ni, Pd, and Pt has been studied. The predicted critical thicknesses agree remarkably well with experimental results, but disagree quantitatively with the continuum models.


2003 ◽  
Vol 795 ◽  
Author(s):  
Adrienne V. Lamm ◽  
Peter M. Anderson

ABSTRACTMetallic nanolayered composite materials can exhibit yield strengths one and a half to two times that of the constituents from which they are constructed. However, experimental data frequently show that there is a critical bi-layer period Λ below which the strength no longer increases with decreasing Λ To help understand the origins of this behavior and to guide future design of multilayers, maps of the internal stress and overall tensile macroyield stress are calculated as functions of the volume fractions of the two alternating constituents and bi-layer period, for a given lattice parameter ratio and elastic modulus ratio. Adopted here is a premise suggested by embedded atom simulations of Cu/Nb multilayers and recent experimental work on γ -Ni/γ-Ni3Al multilayers that the overall tensile strength is determined by the applied stress needed to eliminate the compressive bi-axial stress in the alternating layers. The results indicate that indeed, there is a critical bi-layer period below which the strength is independent of bi-layer period. In this regime, multilayer tensile strength is most effectively improved by increasing the stored compressive stress. This is achieved by decreasing the volume fraction of the compressively stressed phase. This manuscript extends previous work by providing closed-form expressions for the macroyield strength of free-standing multilayered thin films.


1992 ◽  
Vol 278 ◽  
Author(s):  
J. M. Rickman ◽  
R. Najafabadi ◽  
D. J. Srolovitz

AbstractA method for calculating the thermodynamic properties of both perfect crystals and defects from a single zero-temperature energy minimization is described. The validity of the method is demonstrated by determining the free energy and the lattice parameter of a perfect Au crystal, as modelled by an embedded-atom method (EAM) potential. In addition, we determine the temperature dependence of the vacancy formation energy and the excess free energy of a (100) free surface.


2006 ◽  
Vol 21 (1) ◽  
pp. 199-208 ◽  
Author(s):  
Jaesong Kim ◽  
Yangmo Koo ◽  
Byeong-Joo Lee

A semi-empirical interatomic potential formalism, the modified embedded atom method (MEAM), has been applied to obtain an interatomic potential for the Fe–Pt alloy system, based on the previously developed potentials for pure Fe and Pt. The potential can describe basic physical properties of the alloys (lattice parameter, bulk modulus, stability of individual phases, and order/disorder transformations), in good agreement with experimental information. The procedure for the determination of potential parameter values and comparisons between the present calculation and experimental data or high level calculation are presented. The applicability of the potential to atomistic studies to investigate structural evolution of Fe50Pt50 alloy thin films during post-annealing is also discussed.


1992 ◽  
Vol 291 ◽  
Author(s):  
G. Simonelli ◽  
R. Pasianot ◽  
E.J. Savino

ABSTRACTAn embedded-atom-method (EAM) interatomic potential [1] for bcc-iron is derived. It is fitted exactly to the lattice parameter, elastic constants, an approximation to the unrelaxed vacancy formation energy, and Rose's expression for the cohesive energy [2]. Formation energies and relaxation volumes of point defects are calculated. We find that the relative energies of the defect configurations depend on the functional fitting details of the potential considered, mainly its range: the experimental interstitial configuration of lowest energy can be reproduced by changing this parameter. This result is confirmed by calculating the same defect energies using other EAM potentials, based on the ones developed by Harrison et al. [3].


Sign in / Sign up

Export Citation Format

Share Document