Taking AuCu-sublattice system as an example, we present two discoveries and a method. First, the alloy gene sequences are the central characteristic atom sequences in the basic coordination cluster sequences. Second, ...Taking AuCu-sublattice system as an example, we present two discoveries and a method. First, the alloy gene sequences are the central characteristic atom sequences in the basic coordination cluster sequences. Second, the transmission mode of the information about structures and properties of the alloy genes is described by the alloy gene Gibbs energy partition function. The most valuable method in the system sciences is “the whole obtained from a few parts”. We have established the alloy gene database and holographic alloy positioning system of the Au-Cu system, as well as alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of the AuCu-type sublattice system. It means that a standard way for researchers to share predictive algorithms and computational methods may be produced during designing advanced alloys.展开更多
The valence bond structure of substitutional BCC based Ta-W alloys is studied using characteristic crystal （CC） theory. This theory is based on cluster statistics of random alloys. By studying the correlativity betw...The valence bond structure of substitutional BCC based Ta-W alloys is studied using characteristic crystal （CC） theory. This theory is based on cluster statistics of random alloys. By studying the correlativity between energy and volume of the CC in Ta- W alloys, the valence bond structure of CC is determined by the energy and shape method. Then, following additive law of CC, the valence bond structure of Ta-W alloys is calculated. It is found that the outer shell valence electronic distribution of Ta-W Mloys shows a continuous change in the whole composition range. The covalent electrons ec （dc, sc, and pc） increase, whereas near free electrons ef decrease with increasing W concentration. The bond length and single-bond radius decrease, whereas bond energy and bond valence increase with increasing W concentration. The mechanism of solid solution strengthening of Ta-W alloys is analyzed based on their valence bond structure.展开更多
System Science Philosophy is a knowledge system constructed of universal principle and law sequences. Alloy gene is a characteristic atom existing in the center of coordination cluster and occupying the lattice point ...System Science Philosophy is a knowledge system constructed of universal principle and law sequences. Alloy gene is a characteristic atom existing in the center of coordination cluster and occupying the lattice point of a lattice cell, and carries holographic information about valence electron structure, physical and thermodynamic properties obtained by alloy gene theory. Alloy gene potential energy curve function has developed traditional atom pair interaction potential functions into many atoms’ interaction function associated with valence electron structure, bond length, bond energy, which makes alloy gene Gibbs energy function can be established. Alloy gene Gibbs energy transmissive function has developed traditional partition function. Its equilibrium and sub-equilibrium transmissive modes produce alloy holographic network positioning bank, which is operable platform to achieve transformation from “trial and error” method to the “whole obtained from a few part” law for getting advanced alloys. It has become possible to launch alloy gene sequence project.展开更多
文摘Taking AuCu-sublattice system as an example, we present two discoveries and a method. First, the alloy gene sequences are the central characteristic atom sequences in the basic coordination cluster sequences. Second, the transmission mode of the information about structures and properties of the alloy genes is described by the alloy gene Gibbs energy partition function. The most valuable method in the system sciences is “the whole obtained from a few parts”. We have established the alloy gene database and holographic alloy positioning system of the Au-Cu system, as well as alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of the AuCu-type sublattice system. It means that a standard way for researchers to share predictive algorithms and computational methods may be produced during designing advanced alloys.
基金supported by Xiangtan University Doctor Research Foundation(GrantNo.08QDZ32)
文摘The valence bond structure of substitutional BCC based Ta-W alloys is studied using characteristic crystal （CC） theory. This theory is based on cluster statistics of random alloys. By studying the correlativity between energy and volume of the CC in Ta- W alloys, the valence bond structure of CC is determined by the energy and shape method. Then, following additive law of CC, the valence bond structure of Ta-W alloys is calculated. It is found that the outer shell valence electronic distribution of Ta-W Mloys shows a continuous change in the whole composition range. The covalent electrons ec （dc, sc, and pc） increase, whereas near free electrons ef decrease with increasing W concentration. The bond length and single-bond radius decrease, whereas bond energy and bond valence increase with increasing W concentration. The mechanism of solid solution strengthening of Ta-W alloys is analyzed based on their valence bond structure.
文摘System Science Philosophy is a knowledge system constructed of universal principle and law sequences. Alloy gene is a characteristic atom existing in the center of coordination cluster and occupying the lattice point of a lattice cell, and carries holographic information about valence electron structure, physical and thermodynamic properties obtained by alloy gene theory. Alloy gene potential energy curve function has developed traditional atom pair interaction potential functions into many atoms’ interaction function associated with valence electron structure, bond length, bond energy, which makes alloy gene Gibbs energy function can be established. Alloy gene Gibbs energy transmissive function has developed traditional partition function. Its equilibrium and sub-equilibrium transmissive modes produce alloy holographic network positioning bank, which is operable platform to achieve transformation from “trial and error” method to the “whole obtained from a few part” law for getting advanced alloys. It has become possible to launch alloy gene sequence project.
