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Sökning: WFRF:(Finnis Mike)

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1.
  • French, Roger H., et al. (författare)
  • Long range interactions in nanoscale science
  • 2010
  • Ingår i: Reviews of Modern Physics. - 0034-6861. ; 82:2, s. 1887-1944
  • Forskningsöversikt (refereegranskat)abstract
    • Our understanding of the “long range” electrodynamic, electrostatic, and polar interactions that dominate the organization of small objects at separations beyond an interatomic bond length is reviewed. From this basic-forces perspective, a large number of systems are described from which one can learn about these organizing forces and how to modulate them. The many practical systems that harness these nanoscale forces are then surveyed. The survey reveals not only the promise of new devices and materials, but also the possibility of designing them more effectively.
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2.
  • Rogal, Jutta, et al. (författare)
  • Perspectives on point defect thermodynamics
  • 2014
  • Ingår i: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 251:1, s. 97-129
  • Tidskriftsartikel (refereegranskat)abstract
    • We review and discuss methods for including the role of point defects in calculations of the free energy, composition and phase stability of elements and compounds. Our principle aim is to explain and to reconcile, with examples, the perspectives on this problem that are often strikingly different between exponents of CALPHAD, and others working in the overlapping fields of physics, chemistry and materials science. Current methodologies described here include the compound energy formalism of CALPHAD, besides the rather different but related canonical and grand-canonical formalisms. We show how the calculation of appropriate defect formation energies should be formulated, how they are included in the different formalisms and in turn how these yield equilibrium defect concentrations and their contribution to free energies and chemical potentials. Furthermore, we briefly review the current state-of-the-art and challenges in determining point defect properties from first-principles calculations as well as from experimental measurements.
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