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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 4491-4493 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A theoretical study is made of dislocation pipe self-diffusion in an fcc crystal for three differing dislocation structures to ascertain the correlation factor, diffusivity, and mobility in an electric field. The three structures may be described as a pure edge dislocation with the usual Burgers vector b=a/2[110]. The other two are mixed dislocations with b=a[01¯0] and either a line sense of ξ=a[100] or ξ=a[101]. The latter two are similar to an edge-type dislocation and are formed by the removal of one-half of a (010) plane of atoms whose edge follows these directions. It is found that very little difference exists in the transport processes in these three structures. Thus, although the latter two dislocations have a major screw character in the sense of a mixed dislocation, the transport is dominated by the edge character which in turn is controlled by the binding energy of the vacancy to the core. Additionally, the ratio of the mobility to diffusivity in an electric field is proportional to the reciprocal of the correlation factor as found in the past for other self-diffusion situations, and these authors conclude that such a result is an unprovable axiom of correlated crystalline transport.
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 65 (1989), S. 2547-2549 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Impurity-induced disordering of III-V compound semiconductor quantum well heterostructures and superlattices has been extensively studied. However, the theories proposed to explain this phenomenon have dealt primarily with vacancy diffusion mechanisms and have not succeeded in explaining all the experimental observations satisfactorily. In this communication, we propose a two-atom ring mechanism of diffusion based on a simplified model of covalent bonding in III-V compound semiconductors and suggest that the phenomenon of intermixing is a consequence of a lowering in the activation energy due to coulombic interactions between the substitutional impurity atoms and the host atoms. This mechanism is consistent with experimental observations and is able to predict the behavior of other dopants. The additive effect of the simultaneous presence of different dopants can also be explained by this theory which could possibly be used to achieve controlled layer disordering for use in device technology.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Fluids 30 (1987), S. 3661-3668 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Since Bird [Phys. Fluids 6, 1518 (1963)] first proposed the idea of direct simulation Monte Carlo (DSMC) techniques in order to model rarefied gas flows, a concern has been that his method does not provide a solution to the Boltzmann equation. Several simulation schemes have now been developed and, in a review of these methods, Nanbu [J. Phys. Soc. Jpn. 52, 3382 (1983)] showed that only his method [J. Phys. Soc. Jpn. 49, 2042 (1980)] gave a true solution to the Boltzmann equation. However, Nanbu's simulation method is also the most computationally expensive scheme and in his review paper he recommended the use of the Bird technique for complicated engineering problems. Nanbu's method also suffers from the apparent disadvantage that momentum and energy are not conserved at each collision. With the advent of the supercomputer the relative expense of the methods will inevitably be of lesser importance so that the testing of the Nanbu method in an engineering context is desirable. A detailed study of the implementation and performance of the Bird and Nanbu simulation schemes has therefore been carried out with reference to the expansion of a gas into vacuum. The results reported herein show, however, that in addition to increased computational overheads, the Nanbu method suffers from further defects that make its implementation more difficult. It is concluded that the Nanbu method is generally less flexible than that of Bird and that greater care must be exercised if meaningful results are to be obtained using the Nanbu approach.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 58 (1985), S. 720-722 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A model of an edge dislocation in a simple cubic crystal is constructed for a [0–10] Burgers vector where vacancy transport along the edge of the extra half plane of ions is considered. The model considers a tight-binding approximation of the vacancy to the compressed region of the core and carries the calculation to the limit of an infinite length of dislocation. As a consequence the limit of the tight-binding approximation becomes exact. Previous comparison of the model with a loosely bound model illustrated the applicability of the tight-binding approximation in all circumstances. Therefore, the model is believed to quite reasonably represent the physical situation. The results of consequence include, unexpectedly, the increase without bounds of the diffusivity and effective charge for electromigration in the limit where the correlation factor becomes zero. The mobility is found to be proportional to the reciprocal of the correlation factor for all jump-frequency responses causing the unusual behavior. The diffusivity becomes large because the number of available vacancies diverges.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 57 (1985), S. 1869-1871 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The correlation factor for diffusion is constructed for a vacancy mechanism of tracer diffusion in an edge dislocation in a simple cubic lattice. The method of calculation evaluates a weak and tight binding approximation to the problem. Comparison of the two approximations suggests that the tight binding approximation may be preferable under all circumstances.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 62 (1987), S. 3077-3079 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: An edge dislocation in a face-centered-cubic crystal is considered for the basis of a transport model of solute diffusion by a vacancy mechanism. The Burgers vector for the dislocation is b=a/2[110], and the solute moves along the edge of the extra half plane of atoms within the compressed region of the core. When the vacancy is tightly bound to the dislocation, self-diffusion yields the correlation factor approaching infinity because the number of available vacancies for diffusion becomes large, and the mobility for electromigration divided by the diffusivity becomes infinite because the vacancy wind diverges faster than the diffusivity. When the solute repels the vacancy, the diffusivity becomes small; however, the mobility still becomes large. With solute vacancy attraction, the diffusivity remains of magnitude of unity and the mobility to diffusivity ratio becomes large.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 60 (1986), S. 4154-4159 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Correlated self-diffusion in a screw dislocation in a simple cubic crystal is treated with a vacancy mechanism. First and second neighbor jumps are considered within the dislocation core and matrix functions are generated which permit the limit of an infinite dislocation length to be examined for the tight binding approximation. The correlation factor f for positive vacancy binding to the dislocation is found in the range of 0.73≥f ≥0.52 as the binding energy increases without bounds. Previous calculations for an edge dislocation showed that the correlation factor was bound by the limits 0.75≥f ≥0. Comparable calculations of the diffusion coefficient suggest that the diffusivity becomes infinitely large in the same limit in a manner similar with what happens in an edge dislocation. Namely, as the binding energy of the vacancy increases without bounds, the number of available vacancies for diffusion increases indefinitely as a result of the length of dislocation acting as a source.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 705-709 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Correlated self-diffusion in a screw dislocation in a face-centered-cubic crystal is treated with a vacancy mechanism using matrix functions that are generated to permit the length of the dislocation to approach infinity for the tight-binding approximation. The correlation factor f for positive vacancy binding to the dislocation is found to lie in the range 0.819≥f≥0.516. Previous calculations for a screw dislocation in a simple cubic structure are in the range 0.74≥f≥0.52, and are viewed as representing the differences associated with the core structure. Comparable calculations of the diffusion coefficient suggest that it becomes indefinitely large in the limit where the vacancies are tightly bound to the dislocation core but with a finite concentration in the surrounding lattice which is in agreement with similar limits for other dislocations.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 438-439 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: During diffusion in crystalline lattices, isotope separation is well known to be proportional to the correlation factor. In a recently published analysis of vacancy-based transport along an edge dislocation in a simple cubic system, the expression for the diffusion coefficient takes on a much more complicated form than is found in the lattice, and it is uncertain whether the isotope separation factor is indeed proportional to the correlation factor. This effect is studied analytically and numerically, and shown to equal the correlation factor for diffusion along the dislocation. In addition, the isotope separation factor for electromigration is also determined to be proportional to the correlation factor for diffusion.
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  • 10
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 58 (1985), S. 3430-3433 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: An edge dislocation in a simple cubic crystal is considered as the basis for a model for vacancy-induced transport. The Burgers vector for the dislocation is [01¯0], and a solute atom moves along the compressed region of the core by vacancy exchanges along the edge of the extra half plane of atoms. The length of the dislocation is carried to the limit of an infinite number of lattice sites. Consequently, when the vacancy is tightly bound to the dislocation, that limit of tight binding becomes exact. In the tight binding limit, the correlation factor goes to zero for self-diffusion as expected. With vacancy solute tight binding, this result is not altered. Vacancy-solute repulsion can override vacancy-dislocation attraction and change the limit. In the case of dislocation and solute binding to the vacancy, the diffusivity becomes indefinitely large due to the abundance of defects increasing the jump frequency at a rate faster than the correlation factor decreases it. The mobility for electromigration also shows unusual limits. When the solute and dislocation both bind the vacancy, the ratio of the mobility to diffusivity becomes indefinitely large. So long as there is large dislocation vacancy binding, the ratio remains large even with solute vacancy repulsion.
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