Miedema's model

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Miedema's model is a semi-empirical approach for estimating the heat of formation of solid or liquid metal alloys and compounds in the framework of thermodynamic calculations for metals and minerals.[1] It was developed by the Dutch scientist Andries Rinse Miedema (15 November 1933 – 28 May 1992)[2] while working at Philips Natuurkundig Laboratorium. It may provide or confirm basic enthalpy data needed for the calculation of phase diagrams of metals, via CALPHAD or another method.[further explanation needed]

History[]

Miedema introduced his approach in several papers, beginning in 1973 in Philips Technical Review Magazine with "A simple model for alloys".[3][4]

Miedema described his motivation with "Reliable rules for the alloying behaviour of metals have long been sought. There is the qualitative rule that states that the greater the difference in the electronegativity of two metals, the greater the heat of formation - and hence the stability. Then there is the Hume-Rothery rule, which states that two metals that differ by more than 15% in their atomic radius will not form substitutional solid solutions. This rule can only be used reliably (90 % success) to predict poor solubility; it cannot predict good solubility. The author has proposed a simple atomic model, which is empirical like the other two rules, but nevertheless has a clear physical basis and predicts the alloying behaviour of transition metals accurately in 98 % of cases. The model is very suitable for graphical presentation of the data and is therefore easy to use in practice."

Free web bases applications include Entall [5] and Miedema Calculator.[6] The latter was reviewed and improved in 2016, with an extension of the method.[7][8] The original Algol program [9] was ported to Fortran.[10]

Informatics-guided classification of miscible and immiscible binary alloy systems[]

Miedema's approach has been applied to the classification of miscible and immiscible systems of binary alloys. These are relevant in the design of multicomponent alloys. A comprehensive classification of alloying behavior for 813 binary alloy systems consisting of transition and lanthanide metals.[11] "Impressively, the classification by the miscibility map yields a robust validation on the capability of the well-known Miedema’s theory (95% agreement) and shows good agreement with the HTFP method (90% agreement)."[11] These 2017 results demonstrate that "a state-of-the art physics-guided data mining can provide an efficient pathway for knowledge discovery in the next generation of materials design".[11]

References[]

  1. ^ "Thermodynamic Data for Mineral Technology" (PDF). 1984. Retrieved 27 November 2017.[dead link]
  2. ^ Q.H.F. Vrehen. "Huygens Institute - Royal Netherlands Academy of Arts and Sciences (KNAW) : Levensbericht A.R. Miedema, in: Levensberichten en herdenkingen, 1993, Amsterdam" (PDF). Dwc.knaw.nl. pp. 61–66. Retrieved 2017-02-28.
  3. ^ Miedema, A.R. (1973). "A simple model for alloys. I. Rules for the alloying behaviour of transition metals" (PDF). Philips Technical Review. 33: 149–160.
  4. ^ Miedema, A.R. (1973). "A simple model for alloys. Il, The influence of ionicity on the stability and other physical properties of alloys" (PDF). Philips Technical Review. 33: 196–202.
  5. ^ "Miedema calculator of standard formation enthalpy". Entall.imim.pl. Retrieved 2017-02-28.
  6. ^ "Welcome to >>> Miedema Calculator | Homepage organized by Dr. Zhang". Zrftum.wordpress.com. Retrieved 2017-02-28.
  7. ^ Zhang, R.F.; Zhang, S.H.; He, Z.J.; Jing, J.; Sheng, S.H. (2016). "Miedema Calculator: A thermodynamic platform for predicting formation enthalpies of alloys within framework of Miedema's Theory". Computer Physics Communications. 209: 58–69. Bibcode:2016CoPhC.209...58Z. doi:10.1016/j.cpc.2016.08.013.
  8. ^ Gokcen, N. A. (1986). "Appendix B" (PDF). Statistical Thermodynamics of Alloys (simple presentation). pp. 255–76. ISBN 978-1-4684-5053-8.
  9. ^ A.K. Niessen, F.R. de Boer, R. Boom, P.F. de Châtel, W.C.M. Mattens, A.R. Miedema (1983). "Model predictions for the enthalpy of formation of transition metal alloys II". Calphad. 7 (1, January–March): 51–70. doi:10.1016/0364-5916(83)90030-5.CS1 maint: multiple names: authors list (link)
  10. ^ "Hex, Bugs and More Physics | Emre S. Tasci » Blog Archive » Miedema et al.'s Enthalpy code — 25 years after." hexbugsmorephysics.wordpress.com. Retrieved 2020-09-06.
  11. ^ Jump up to: a b c Zhang, R. F.; Kong, X. F.; Wang, H. T.; Zhang, S. H.; Legut, D.; Sheng, S. H.; Srinivasan, S.; Rajan, K.; Germann, T. C. (2017-08-29). "An informatics guided classification of miscible and immiscible binary alloy systems". Scientific Reports. 7 (1): 9577. doi:10.1038/s41598-017-09704-1. ISSN 2045-2322. PMC 5575349. PMID 28851941.

See also[]

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