scholarly journals Investigating Properties of Electrodeposited Ni-W Alloy Using Empirical Electron Theory of Solids and Molecules

2016 ◽  
Author(s):  
Li Yan Zhang ◽  
Wang Jun Mao
Keyword(s):  
Electron Theory ◽  
Empirical Electron Theory

Theoretical Calculation of the Polytypism Transition Temperature of Titanium Alloys on the Valence Electron Level

2012 ◽  
Vol 152-154 ◽  
pp. 342-347
Author(s):  
Hua Qu ◽  
Wei Dong Liu
Keyword(s):  
Transition Temperature ◽  
Titanium Alloys ◽  
Valence Electron ◽  
Pure Titanium ◽  
Electron Theory ◽  
Electron Level ◽  
Valence Electron Structure ◽  
Electron Pairs ◽  
Stable Element ◽  
Empirical Electron Theory

Based on the polytypism transition temperature(PPT) of pure titanium, the the empirical electron theory of solids and molecules(EET) and the basic theory of the phase transformation of titanium alloys, a new method to calculate the PTT of titanium alloys is put forward after calculating the valence electron structure(VES) parameter nA which is the covalence electron pairs on the strongest bond of alloy phases, the crystal cell weight of  and  phases in the structure, the compensation coefficient of the phase and the temperature coefficient of  stable element. After calculating the PTT of some common titanium alloys, we find that the theoretical values are consistent with the experimental ones, so it is feasible to calculate the polytypism transition temperature of the titanium alloys on the covalence electron level.

Relationships between the Abilities of the Forming Bond of the Precipitated Phases and their Precipitations and Phases Transition in Al-Fe-Si Alloy

2010 ◽  
Vol 152-153 ◽  
pp. 1049-1053
Author(s):  
Hua Qu ◽  
Wei Dong Liu ◽  
Chuang Liu ◽  
Gang Zhou ◽  
Xiao Lu Shen
Keyword(s):  
High Temperature ◽  
Solid Solutions ◽  
Electron Theory ◽  
Empirical Electron Theory ◽  
The Matrix ◽  
Cooling Speed ◽  
The Stability ◽  
Precipitated Phases

According to the empirical electron theory of solid and molecule, the valence election structures of the matrix  of Al-Fe-Si alloy, solid solutions of -Al-Fe and -Al-Fe-Si, precipitated phases of A13(Fe,Si), Al8Fe2Si and Al12Fe3Si and their abilities of the forming bond were calculated, then the relationships between the abilities of the forming bond of the main precipitated phases in Al-Fe-Si alloys and their precipitations and phases transition were studied in this paper. From the results we find that the ability of the forming bond of Al12Fe3Si (637.23) is small, that of Al3(Fe,Si) (670.52) is large and that of Al8Fe2Si (1038.27) is the largest; the larger the cooling speed, the more amount of the precipitated first of Al12Fe3Si, the few amount of the precipitated of Al3(Fe,Si) and Al8Fe2Si; the stability of Al12Fe3Si is smaller than that of Al3(Fe,Si) and Al8Fe2Si, and under high temperature, the phase of Al12Fe3Si can grow up and coarsen and even change into Al3(Fe,Si) and Al8Fe2Si.

Analysis of Structural Condition and Thermodynamics Condition of Graphite Heterogeneity Nucleation in Cast Iron

2011 ◽  
Vol 299-300 ◽  
pp. 576-579
Author(s):  
Hua Qu ◽  
Wei Dong Liu
Keyword(s):  
Crystal Structure ◽  
Cast Iron ◽  
Valence Electron ◽  
Large Angle ◽  
Structural Condition ◽  
Nucleation Theory ◽  
Electron Theory ◽  
Modern Times ◽  
Bond Forming ◽  
Empirical Electron Theory

Based on the empirical electron theory of solid and molecule, the valence electron structures(VESs) of graphite, CaS and MnS in cast iron are calculated, their bond-forming energy F of the structure unit and bond-forming energyEof the crystal plane are defined and calculated. Combined with the nucleation theory of the liquid metal,Fand E are applied to analyze the thermodynamics condition of graphite heterogeneity nucleation in undercooling liquid of case iron, i.e.,GL-FG>GL-FH,>. According to the coincidence lattice model of large-angle grain boundary used commonly in modern times, the corresponding structural condition is analyzed, i.e., the crystal structure of graphite should have the better lattice contract ratio with the crystal structure of its annexed heterogeneous particles.

The Valence Electron Structure of High-Entropy Alloys

2017 ◽  
Vol 1142 ◽  
pp. 3-7
Author(s):  
Bo Cheng ◽  
Yun Kai Li ◽  
Gui Qin Hou
Keyword(s):  
Valence Electron ◽  
Electron Pair ◽  
Electron Structure ◽  
High Entropy Alloys ◽  
Electron Theory ◽  
Valence Electron Structure ◽  
High Entropy ◽  
Melting Temperatures ◽  
Empirical Electron Theory ◽  
Pair Number

Empirical Electron Theory in Solids and Molecules (EET) was used to analyze the valence electron structure of ZrTiHfVNb, ZrTiHfVTa and ZrTiHfNbMo high-entropy alloys. The parameters characterizing the valence electron structure of high-entropy alloys were calculated, which were used to discuss the hardness and melting temperature of high-entropy alloys. The results show that the hardness of high-entropy alloys is positively correlated to the shared electron pair number in valence electron structure. The theoretical melting temperatures of high-entropy alloys were predicted by the parameters characterizing the valence electron structure.

Theoretical Calculation of Electronic Structure and Mechanical Properties of Quenched Carbon Structural Steel

2013 ◽  
Vol 749 ◽  
pp. 528-534
Author(s):  
Yue Jun Sun ◽  
Si Nan Li ◽  
Hai Fang Shi ◽  
Zhi Yu Gao ◽  
Shao Bin Yang
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Theoretical Calculation ◽  
Structural Steel ◽  
Fatigue Property ◽  
Structure Parameters ◽  
Electron Theory ◽  
Empirical Electron Theory ◽  
Carbon Structural Steel ◽  
The Relationship

To investigate the fatigue property of carbon structural steel in theory, the microstructure and properties of quenched martensite must be studied in detail. In this paper, the electronic structure and mechanical properties of carbon structural steel in quenched state were calculated by the empirical electron theory of solids and molecules (EET). The relationship between electronic structure parameters and mechanical properties of martensite was investigated. The mechanical properties of quenched carbon structural steel were calculated theoretically, and the result of theoretical calculation is consistent with the experiment result.

Effects of Mo(Ni) on Valence Electron Structures of TiC/Fe Cermets

2008 ◽  
Vol 368-372 ◽  
pp. 1119-1122 ◽  
Author(s):  
Zheng Guang Zou ◽  
Yi Wu ◽  
Fei Long ◽  
Wen Wu Xu ◽  
Dong Ye Yao
Keyword(s):  
Binding Energy ◽  
Electron Density ◽  
Valence Electron ◽  
Electron Cloud ◽  
Metal Phase ◽  
Structure Model ◽  
Electron Theory ◽  
Ceramic Phase ◽  
Empirical Electron Theory

Based on the empirical electron theory (EET) of solids and molecules, the valence electron structures (VESs) of TiC-Mo(Ni)-Fe system were calculated by building proper structure model. The results indicate that additives of Mo and Ni improve the interface conjunction factors of the cermets in different ways. By adding Mo, the VESs of the ceramic phase are improved for the formation of the rim phase (Ti1-xMox)C, which leads to the enhancement of the interface conjunction, while the improvement of the VESs on metal phase by adding Ni is due to the formation of the Fe100-yNiy. Mo and Ni additives increase the interface electron density of cermets, that is, the adding of the Mo and Ni enhance the overlapping grade of the electron cloud on interface and increase the binding energy of the interface, which is propitious to the wettability. The best wettability was found at x=0.5 or y=30.

Hardness estimation for covalent crystals using empirical electron theory

2010 ◽  
Vol 55 (36) ◽  
pp. 4197-4202 ◽  
Author(s):  
XiaoGuang Luo ◽  
JinPing Li ◽  
Ping Hu ◽  
ShanLiang Dong
Keyword(s):  
Electron Theory ◽  
Empirical Electron Theory

Research on Physical Significance of the Larson-Miller Parameter and its Electron Theory for Heat-Resistant Steels

2007 ◽  
Vol 353-358 ◽  
pp. 477-480
Author(s):  
Rui Chen Yang ◽  
Z. Li ◽  
Kui Chen
Keyword(s):  
Physical Nature ◽  
Heat Processing ◽  
Strength Parameter ◽  
Processing Parameter ◽  
Electron Theory ◽  
Heat Resistant ◽  
Empirical Electron Theory ◽  
Temperature Ageing ◽  
C Value ◽  
Heat Resistant Steels

The Larson-Miller parameter (LMP=T(C+log t)) with the determined C-value is suitable to describe the high-temperature ageing behaviour of pearlitic heat resistant steels, such as 12Cr1MoV with C of 20.62, and 15CrMo 20.30. The heat strength parameter Pc was proposed as one property of materials, and heat processing factor P as temperature-time processing parameter. In addition, the relationship between Pc and P was discussed. Then, based on the calculation of valence electron structures by the Empirical Electron Theory of Solid and Molecules (EET), the physical nature and microscopic meaning of C constant in LMP were analyzed, including the effects of carbon content on C-value.

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