Monte Carlo study of the evolution of diffuse scattering and coherent modulation during h.c.p. to f.c.c. martensitic transition—I. Infinitely strong repulsive interaction model

Shrestha, Shankar Prasad; Tripathi, Vishal; Kabra, Vedant; Pandey, Dhananjai

doi:10.1016/s1359-6454(96)00101-2

Cited by 11 publications

(8 citation statements)

References 26 publications

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“…For more heavily faulted crystals, however, such an identification of structure with mechanism is dubious. Other techniques, such as numerical simulations (Kabra & Pandey, 1988;Engel, 1990;Shrestha et al, 1996;Shrestha & Pandey, 1996a,b, 1997Gosk, 2000Gosk, , 2001 or analysis of a series of crystals in various stages of the transformation, are necessary to unambiguously determine the mechanism (Varn & Crutchfield, 2004).…”

Section: Sk134mentioning

confidence: 99%

Inferring planar disorder in close-packed structures via ∊-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide

Varn

Canright

Crutchfield

2007

Acta Crystallogr Sect B

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We apply epsilon-machine spectral reconstruction theory to analyze structure and disorder in four previously published zinc sulfide diffraction spectra and contrast the results with the most common alternative theory, the fault model. In each case we find that the reconstructed epsilon-machine provides a more comprehensive and detailed understanding of the stacking structure, often detecting stacking structures not previously found. Using the epsilon-machines reconstructed for each spectrum, we calculate a number of physical parameters - such as configurational energies, configurational entropies and hexagonality - and several quantities - including statistical complexity and excess entropy - that describe the intrinsic computational properties of the stacking structures.

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Section: Sk134mentioning

confidence: 99%

Inferring planar disorder in close-packed structures via ∊-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide

Varn

Canright

Crutchfield

2007

Acta Crystallogr Sect B

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“…The simulation is similar to those used to study the hcp to fcc transition in Co and its alloys. 28,29 The model transformation was a effected in small domains picked at random within the 1350 planes of the film. A close-packed plane was coded by p ϭ1(A),2(B), or 3(C) and could be slid via…”

Section: A B C a B C A B C ⇓ A B A B C A B C A ⇓ A B A B C B C A B ⇓ mentioning

confidence: 99%

Epitaxial Ce and the magnetism of single-crystal Ce/Nd superlattices

Clegg¹,

Goff

McIntyre

et al. 2003

Phys. Rev. B

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The chemical structure of epitaxial ␥ cerium and the chemical and magnetic structures of cerium/ neodymium superlattices have been studied using x-ray and neutron diffraction techniques. The samples were grown using molecular-beam epitaxy, optimized to yield the desired Ce allotropes. The x-ray measurements show that, in the superlattices, both constituents adopt the dhcp structure and that the stacking sequence remains intact down to Tϳ2 K; these are the first measurements of magnetic ordering in single-crystal dhcp Ce. The magnetic structure of the superlattices with thicker Nd layers exhibit incommensurate order and ferromagnetism on separate sublattices in a similar manner to Nd under applied pressure. The sample with thickest Ce layers has a magnetic structure similar to bulk ␤ Ce, which has commensurate transverse modulation with a propagation wave vector ͓1/2 0 0͔ and moments along the hexagonal a direction. These two types of magnetic order appear to be mutually exclusive. ␥ Ce is the high-temperature fcc phase of Ce, our singlephase epitaxial sample is observed to go through a new, but partial, structural transition not previously seen in the bulk material.

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“…All these theories for random as well as non-random distribution of stacking faults are based on the assumption that the faults are introduced in a sequential manner from one end of the stack of layers towards the other, as in a typical random walk problem. Recently, Kabra & Pandey (1989 and Shrestha et al (1996) have questioned the validity of such sequential models for the insertion of stacking faults during restacking transitions and have proposed Monte Carlo techniques as alternatives for the calculation of the evolution of diffuse scattering during restacking transitions involving non-random distribution of stacking faults.…”

Section: Mapping Of Restacking Transitions Into One-dimensional Ising Systemsmentioning

confidence: 99%

“…The theoretical predictions for the non-conserved zero temperature dynamics in one dimension have been discussed in the context of binary reactions (Torney & McConnell 1983), exciton fusion kinetics (Parus & Kopelman 1989) and particleantiparticle annihilation (Toussaint & Wilczek 1983). In recent years, there has been a growing realization that several three-dimensional problems can be effectively modelled in terms of one-dimensional systems (Kabra & Pandey 1988: Sheng & Zhang 1995Shrestha & Pandey 1996;Yi & Canright 1997). The present investigation was undertaken to show the relevance of zero temperature non-conserved dynamics on one-dimensional Ising chains for studying the kinetics of martensitic type restacking transitions between close-packed layered materials using Monte Carlo techniques.…”

Section: Introductionmentioning

confidence: 99%

Kinetics of martensitic type restacking transitions: dynamic scaling, universal growth exponent and evolution of diffuse scattering

Shrestha

Pandey

1997

Proc. R. Soc. Lond. A

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Results of Monte Carlo simulations of the kinetics of 2H to 3C, 3C to 2H, 2H to 4H and 2H to 6H restacking transitions by a martensitic process using a one-dimensional kinetic Ising model are presented. It is shown that the evolution of diffuse scattering during these transitions can be calculated by using such a model. We show that the characteristic length scale L(t) grows as t 1/2 in the late stages while the equal-time two-point correlation functions exhibit dynamic scaling. A simple diffuse scattering experiment is proposed to determine L(t) from single-crystal diffraction data for verifying the power law dependence of L(t) at the late stages of the restacking transitions.

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Monte Carlo study of the evolution of diffuse scattering and coherent modulation during h.c.p. to f.c.c. martensitic transition—I. Infinitely strong repulsive interaction model

Cited by 11 publications

References 26 publications

Inferring planar disorder in close-packed structures via ∊-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide

Inferring planar disorder in close-packed structures via ∊-machine spectral reconstruction theory: structure and intrinsic computation in zinc sulfide

Epitaxial Ce and the magnetism of single-crystal Ce/Nd superlattices

Kinetics of martensitic type restacking transitions: dynamic scaling, universal growth exponent and evolution of diffuse scattering

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