Modeling short-range ordering in liquids: The Mg–Al–Sn system
Source abstract
Abstract
Abstract A liquid solution of components A and B may often exhibit a tendency towards short-range ordering (SRO). This may be modeled by the Modified Quasichemical Model (MQM) which attributes the SRO to the preferential formation of nearest-neighbor A–B pairs or, alternatively, by an associate model which attributes the ordering to the formation of A n B m associates or molecules. Although both models can often provide similar and equally good fits to experimental thermodynamic and phase equilibrium data in a binary system, the MQM provides significantly better predictions of the thermodynamic properties of ordered ternary liquid phases A–B–C solely from the optimized model parameters of the A–B, B–C and C–A binary sub-systems. This is illustrated through coupled thermodynamic/phase diagram optimization of the Mg–Al–Sn system. A similar example for the Mg–Al–Sc system is also presented.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Metallurgical and Alloy Processes · Thermodynamic and Structural Properties of Metals and Alloys · Aluminum Alloy Microstructure Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (58)
Show source-provided references
1. The modified quasichemical model I — Binary solutions10.1007/s11663-000-0103-2 ↗
2. The modified quasichemical model: Part II. Multicomponent solutions10.1007/s11661-001-0226-3 ↗
3. Computer assisted analysis of the thermodynamic properties and phase diagrams of slags
4. Temperature dependence of the mixing enthalpies of liquid magnesium–lead and magnesium–tin alloys
5. A further investigation of the heat of mixture in molten metals
6. Determination of the heats of formation of the solid and liquid Mg–Sn alloys at 20 °C and 800 °C respectively and the heat content of the alloys at 800 °C
7. Thermodynamic activity of magnesium in several highly-solvating liquid alloys10.1007/BF02654364 ↗
8. Thermodynamic study and the phase diagram of the Mg–Sn system10.1007/BF02654249 ↗
9. Thermodynamics of liquid magnesium alloys using CaF2 solid electrolytes10.1016/0022-3115(74)90111-1 ↗
10. Thermodynamic properties of liquid Mg+Pb and Mg+Sn alloys by e.m.f. measurements10.1016/0021-9614(70)90008-X ↗
11. Thermodynamic and volumetric databases and software for magnesium alloys10.1007/s11837-009-0076-9 ↗
12. FactSage thermochemical software and databases10.1016/S0364-5916(02)00035-4 ↗
13. FactSage thermochemical software and databases — recent developments10.1016/j.calphad.2008.09.009 ↗
14. Fowler · 1939
15. Modeling short-range ordering in solutions10.3139/146.101554 ↗
16. Association model for the description of the thermodynamic functions of liquid alloys–I. Basic concepts
17. Association model for the description of the thermodynamic functions of liquid alloys–II. Numerical treatment and results
18. A thermodynamic study on an associated solution model for liquid alloys10.1016/0364-5916(85)90004-5 ↗
19. The compound energy formalism10.1016/S0925-8388(00)01481-X ↗
20. Thermodynamic modeling of the Mg–Si–Sn system10.1016/j.calphad.2006.12.003 ↗
21. SGTE data for pure elements10.1016/0364-5916(91)90030-N ↗
22. Thermal study of group II–IV semi conductors–II. heat capacity of Mg2Sn in the range 5–300 K10.1016/0022-3697(67)90119-9 ↗
23. P. Chartrand, Thermodynamic optimization of the Al–Mg system, École Polytechnique de Montréal, Canada, 2006 (unpublished research).
24. Thermodynamic assessment of the Al–Mn and Mg–Al–Mn systems10.1007/s11669-008-9426-5 ↗
25. Critical evaluation and thermodynamic optimization of the Al–Ce, Al–Y, Al–Sc and Mg–Sc binary systems10.1016/j.calphad.2008.03.002 ↗
26. S. Fries, H.-L. Lukas, COST 507–Thermochemical databases for light metal alloys, Office for Official Publications of the European Communities, Luxembourg, vol. 2, 1998, pp. 81–82.
27. Optimization of the magnesium–tin system10.1051/jcp/1993900181 ↗
28. Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system10.1016/j.intermet.2007.10.010 ↗
29. On the alloys of magnesium with tin and thallium10.1002/zaac.19050460112 ↗
30. On the alloys of magnesium with tin and thallium
31. The constitution of the magnesium-rich alloys in the systems magnesium–lead, magnesium–tin, magnesium-germanium, and magnesium–silicon
32. The system magnesium–tin and the compound Mg4Sn2
33. On the liquidus in tin-rich Sn–Mg alloys10.1007/BF02643105 ↗
34. Thermal analysis of Mg–Sn alloys by calorimetric measurements for determination of the liquidus curve (part 1)
35. The molecular weights of metals when in solution10.1039/CT8905700376 ↗
36. Magnesium–tin phase diagram and thermodynamic properties of liquid magnesium–tin alloys
37. Electical conductivity and binary alloys phase diagram
38. L. Willey, Aluminum Reserach Laboratories, See Metals Handbook, 1948 ed., The American Society for Metals, Cleveland, OH 1227, 1948 (unpublished research).
39. Solubility of tin in magnesium
40. Quatitative thermal analysis of magnesium–tin alloys by calorimetric measurement for the determination of solidus and liquidus curves
41. Al–Bi and Al–Sn alloys
42. The Al–Sn phase diagram and the characteristics of Al alloys containing Sn as an alloying element
43. Thermodynamic study of the system Al–Sn
44. The solid solubilities of Sn, In, and Cd in Al
45. The solubility of tin in aluminum10.1007/BF02644473 ↗
46. The systems aluminum–tin and aluminum–lead–tin10.1139/v56-183 ↗
47. Heats of mixing of liquid Al with Zn, Cd, In, Th, Sn, Pb, and Bi
48. Thermodynamic analysis. XII: Automatic recording of heat content vs reciprocal absloute temperature10.1002/srin.195803028 ↗
49. E. Doernberg, A. Kozlov, R. Schmid-Fetzer, Experimental investigation and thermodynamic calculation of Mg–Al–Sn phase equilibria and solidification microstructures, J. Phase Equilib. Diffusion 28 (6) 523–535.10.1007/s11669-007-9203-x ↗
50. Structure of aluminum with magnesium and tin
51. Studies on the temperature dependence of the mixing enthalpy of ternary alloy melts
52. Liquidus determinations of polynary magnesium alloys, Tech. rep., Dow Chemicals, Office of Naval Res., Final Status Report No. 15004, Contract No. N9 ONR 85900 (1950), cited in Ref. [23].
53. Magnesium-aluminum–tin phase diagram in the magnesium-rich phase
54. Experimental investigation and thermodynamic calculation of the central part of the Mg–Al phase diagram
55. Experimental investigations and thermodynamic calculation in the Al–Mg–Sc system
56. Phase reactions in Al–Mg–Sc alloys (up to 26% Mg and 3% Sc)
57. Mg-rich phase equilibria and thermodynamic assessment of the Mg–Sc system
58. Thermodynamic evaluation and optimization of the (NaCl+KCl+AlCl3) system10.1016/j.jct.2004.04.011 ↗