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Acta Metall Sin    DOI: 10.11900/0412.1961.2017.00462
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CHEMICAL UNIT OF Cu-BASED BINARY INDUSTRIAL ALLOYS
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Abstract  Industrial alloys all have specific chemical compositions as standardized in specifications. Understanding the structural origin of special compositions for these solid-solution alloys is significant to shortening the development of new industrial alloys. It is well accepted that all alloys are based on solid solutions characterized by chemical short-range ordering. Previously it was only possible to describe the deviation of solute distribution from average mode in a statistical manner. The lack of an accurate structural tool to address the characteristic short-range-order structures constitutes the major obstacle in establishing an effective structural model that allows precise composition design for alloys. Since alloys with good comprehensive performance do have specific chemical compositions, their compositions should correspond to molecule-like specific structural units. After a long effort of more than a decade, we have developed a new structural tool, so-called the cluster-plus-glue-atom model, to address any short-range-ordered structures. In particular, solid solutions can be understood as being constructed from the packing of special chemical units covering only the nearest-neighbor cluster and a few glue atoms located at the next outer shell, expressed in molecule-like cluster formula [cluster](glue atoms). Such units represent the smallest particles that are representative of the whole structures, just like molecules do for chemical substances. After introducing Friedel oscillation, the cluster-plus-glue-atom model is turned into the cluster-resonance model that provides also the inter-cluster packing modes. Ideal atomic density is hence obtained which is only proportional to the number of atoms in the unit and the cube of the cluster radius. The calculation of chemical unit is then possible and is conducted in typical binary Cu-based industrial alloys. The calculated formulas give chemical composition that highly agree with the most popular alloy specifications, as exemplified by [Zn-Cu12]Zn4 that interprets the most widely used ?-brass Cu-30Zn. Our work reveals the composition origin of industrial alloys and demonstrates its high potential for developing chemically complex alloys.
Key words:  Chemical Unit      Industrial Alloys      Cluster-plus-glue-atom model      Solid Solution      Short-range order     
Received:  02 November 2017     
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. CHEMICAL UNIT OF Cu-BASED BINARY INDUSTRIAL ALLOYS. Acta Metall Sin, 0, (): 0-0.

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https://www.ams.org.cn/EN/10.11900/0412.1961.2017.00462     OR     https://www.ams.org.cn/EN/Y0/V/I/0

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