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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 3693-3696 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have developed a first-principles electronic theory of concentration fluctuations in spin polarized binary alloys. It is a mean field theory of the state of compositional order and it is based on the local spin density (LSD) approximation for describing the electrons. The usual averages over the statistical mechanical ensemble are carried out with the aid of the self-consistent Korringe–Kohn–Rostoker coherent-potential approximation (SCF-KKR-CPA). To illustrate the main consequences of the theory we study the compositional short-range order in the NicFe1−c alloy system. We find that the ordering energy is almost entirely of magnetic origin.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 3715-3717 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have performed calculations of the electronic structure of the random substitutional alloys Fe1−cNic and V1−cFec using the spin-polarized, self-consistent Korringa–Kohn–Rostoker coherent-potential approximation (KKR-CPA) method. This is a first principles method based on spin density functional theory and a local spin density approximation for the exchange and correlation functional. For fcc Fe1−cNic, a range of volumes were considered for 0.25〈c〈1.0, and it was found that the moments are sensitive to the volume in the Fe-rich alloys near the INVAR concentration. In bcc V1−cFec, we find the average moments to decrease linearly with vanadium concentration (in the Fe-rich alloys) and the vanadium moment to be antiparallel to the iron moment. The moments vanish when the vanadium concentration becomes greater than 0.7 which is in good agreement with experiment. In V1−cFec, in contrast to bcc Fe1−cNic, the bonding–antibonding "valley'' of the minority density of states (in which the Fermi level is pinned) persists over a wide range of concentrations.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 69 (1991), S. 6151-6151 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have developed an ab initio method for calculating the static correlation functions in substitutional alloys, which, for example, describes their atomic short-range order (ASRO) as given by atomic diffuse scattering intensities. For magnetic alloys, a contribution to the total diffuse scattering intensities also results from the moment-chemical correlations (i.e., variations of local moments due to changes in the chemical environment). The response functions, which may be directly compared to single crystal neutron-scattering, are derived from a mean-field statistical mechanical description of compositional fluctuations in alloys. The statistical averages are performed via the Korringa–Kohn–Rostoker coherent-potential approximation, which incorporates the electronic structure of the high-temperature, chemically disordered state. For magnetic Fe-13.5% V alloys, we present results of first-principles calculations of the ASRO, which compare very well with the (quenched) single crystal data obtained by Cable et al.,1 and predict the structure of the moment-chemical correlations. Moreover, we determine the origin of the q-dependent structure in these correlations. In the future, this will allow direct comparison of neutron data with theory to understand more fully the underlying mechanisms which drive, e.g., ASRO.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 57 (1985), S. 3018-3020 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe0.65Ni0.35. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko–Wilk–Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the very structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 63 (1988), S. 3490-3492 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present the results of first-principles calculations of the total energy and spin-polarized electronic structure of disordered fcc Fe0.50Mn0.50. These self-consistent calculations were performed using the Korringa–Kohn–Rostoker method and the coherent-potential approximation (KKR-CPA), using the local-spin-density approximation to treat exchange and correlation. We use a lattice constant of a=6.80 a.u.; information about stability can be inferred from calculated pressure and energy. The moments on the Fe and Mn sites are large but antiparallel to each other, resulting in a small net magnetization. A comparison of the electronic structure is made for fcc Fe, Mn, and FeMn in both the ferromagnetic and disordered local moment states.
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  • 6
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Annals of the New York Academy of Sciences 778 (1996), S. 0 
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The effects of electrical stimulation, kidney fat removal time, tenderloin removal time, and storage and packaging treatment on tenderness and retail display characteristics of beef tenderloin steaks were studied. Electrical stimulation increased overall desirability scores on days 2 through 4 of retail display. Steaks from sides that had kidney and pelvic fat removed prior to chilling had higher Warner-Bratzler shear force values, darker muscle color and higher retail evaluations for overall desirability on days 2 through 4 of display than did steaks from conventionally dressed sides. Tenderloin steaks that were vacuum packaged and stored 14 days had higher bacterial counts, more uniform lean color and less visual purge in the retail package than did steaks retail displayed immediately after tenderloin removal.
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  • 8
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of food science 56 (1991), S. 0 
    ISSN: 1750-3841
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Sodium lactate was added to fresh pork sausage to determine its effect on refrigerated storage of chubs and retail display of patties. An additional treatment evaluated effects of sodium lactate in fresh sausage with added textured soy concentrate. In fresh sausage stored as 454g chubs, surface discoloration was reduced (P〈0.01) and off-odor development abated (P〈0.01) with addition of sodium lactate. The lag phase of microbial growth was extended from 10 to 20 days with sodium lactate. Under retail conditions, sodium lactate did not affect lean color (P〉0.01) but resulted in more rapid surface discoloration (P〈0.01). Presence of textured soy concentrate decreased (P〈0.01) effectiveness of sodium lactate against microorganisms.
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  • 9
    ISSN: 1573-4994
    Keywords: Monoclonal antibody ; fluorescein ; complex ; fluorescence quenching ; intrinsic fluorescence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Two mouse anti-fluorescyl monoclonal antibodies (mAb), clones FL43.1 and FL55.3, were produced to the fluorescein hapten, which was conjugated to the carrier protein through the 4′ position of the xanthene ring. Association constants (K A) and thermodynamic parameters for both mAb were ascertained by monitoring the steady-state intrinsic and fluorescein fluorescence. Both techniques were in good agreement and gaveK A values in the 109 M −1 range. Ligand-induced intrinsic fluorescence quenching showed a hypsochromic shift for mAb FL43.1, but not for FL55.3, suggesting that the ligand interacts with different tryptophan residues in each mAb. Because these mAb are directed toward the phenylcarboxylate portion of fluorescein, the different ionic and structural forms should be useful as indicators of antibody binding site pH and buffering capacity near the binding site.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 51 (1989), S. 925-928 
    ISSN: 1572-9540
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The hyperfine fields of Fe and Co in the substitutionally disorderedbcc alloy system Fe x Co1−x due to the Fermi contact interaction have been studied by means of charge self-consistent cluster Korringa-Kohn-Rostoker-Coherent Potential Approximation- (KKR-CPA) band structure calculations. The contribution to the Fermi contact hyperfine field due to core polarisation was found to be proportional to the local moment for Fe as well as for Co throughout the concentration range. On the other hand, the contributions of the conduction band did not show such a simple behavior, but were found to be dominated by the population of the s-bands for spin up and down. These findings are completely analogous to those obtained in a recent study of the ferromagnetic alloy systems Fe x Ni1−x and Fe x Cr1−x . To investigate the importance of relativistic effects on the Fermi contact hyperfine fields, the corresponding hyperfine matrix elements have been calculated nonrelativistically as well as fully relativistically. The results of the present work are compared with experiment as well as to theoretical data on related alloy systems.
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