Investigation of the Valence Electron Structure of Molecules and Isolated Groups in Crystals

1989 ◽  
pp. 161-227
Author(s):  
Armin Meisel ◽  
Gunter Leonhardt ◽  
Rüdiger Szargan
Keyword(s):  
Valence Electron ◽  
Electron Structure ◽  
Valence Electron Structure ◽  
Structure Of Molecules

The valence electron structure and properties analysis of TiC

2001 ◽  
Vol 46 (12) ◽  
pp. 1002-1004 ◽  
Author(s):  
Huanrong Wang ◽  
Yifu Ye ◽  
Guanghui Min ◽  
Jingyu Qin ◽  
Weimin Wang
Keyword(s):  
Valence Electron ◽  
Electron Structure ◽  
Structure And Properties ◽  
Valence Electron Structure

INTERFACE ELECTRON STRUCTURE OFTiC–NiAlCOMPOSITES

2012 ◽  
Vol 19 (05) ◽  
pp. 1250056
Author(s):  
X.-F. TIAN ◽  
W.-K. ZHANG ◽  
Y. QI
Keyword(s):  
Electron Density ◽  
Valence Electron ◽  
Electron Structure ◽  
Matrix Composites ◽  
Communication Interface ◽  
Valence Electron Structure ◽  
Valence Electron Density ◽  
Intermetallic Matrix ◽  
Intermetallic Matrix Composites ◽  
Set Up

Intermetallic matrix composites reinforced with ceramic particles such as TiC have received increasing attention in recent years due to the combined potential of ceramics and intermetallics to give a desirable balance of properties. But an understanding of some experimental results presented elsewhere has remained elusive. In this communication, interface valence electron structure of TiC–NiAl composites was set up on the basis of Pauling's nature of the chemical bond, and valence electron density ρ of different atomic states TiC and NiAl composites in various planes was determined. From the viewpoint of biphase interface electron density continuing, the corresponding experimental phenomena are explained.

Effect of Rare Earth Elements on the Valence Electron Structure and Properties of ZrB2 Ceramics

2009 ◽  
Vol 1 (3) ◽  
pp. 269-275 ◽  
Author(s):  
Jinping Li ◽  
Jiecai Han ◽  
Songhe Meng ◽  
Xiaoguang Luo ◽  
Shanliang Dong
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
Valence Electron ◽  
Electron Structure ◽  
Structure And Properties ◽  
Valence Electron Structure

Valence Electron Theoretical Analysis of Mechanical Properties in Low-Alloy Steel

2011 ◽  
Vol 704-705 ◽  
pp. 389-394
Author(s):  
Chuan Sun ◽  
Yun Kai Li ◽  
Lin Jiang
Keyword(s):  
Mechanical Properties ◽  
Alloy Steel ◽  
Valence Electron ◽  
Electron Structure ◽  
Structure Parameters ◽  
Low Alloy Steel ◽  
Valence Electron Structure ◽  
Empirical Electron Theory ◽  
Valence Electrons ◽  
Set Up

The mechanical properties in low-alloy steel are studied systematically from the view of valence electrons using the Empirical Electron Theory in solid and molecules (EET). Two new valence electron structure parameters ρcvand ρlv, which have closely relation with the mechanical properties of alloy steel are summed up according to the basic idea of EET. The values of the two new valence electron structure parameters in carbon steel and alloy steel which contains Cr, Mn, Ni, Si, W and Mo are calculated. The result demonstrates that ρcvhas a very good corresponding relationship with intensity, and ρlvhas a very good corresponding relationship with plasticity. In this note, a quantitative empirical formula between the valence electrons structure and the intensity and plasticity of alloy steel is initially set up. Keywords: EET, valence electron structure, mechanical property, low-alloy steel

Influence of Micro-Addition Chromium on the Valence Electron Structure and Toughness of Fe2B Phase

2010 ◽  
Vol 34-35 ◽  
pp. 1135-1139
Author(s):  
Rui Na Ma ◽  
Yong Zhe Fan ◽  
Xiao Ming Cao ◽  
Ming Wen
Keyword(s):  
Fracture Toughness ◽  
Valence Electron ◽  
Chromium Content ◽  
Electron Structure ◽  
Valence Electron Structure ◽  
Electron Pairs ◽  
Good Corrosion Resistance ◽  
Length Difference ◽  
Fe2b Phase ◽  
Good Agreement

Fe2B is a kind of typical intermetallic compound, which has good corrosion resistance in molten zinc. However, the fatal intrinsic brittleness limits its further application in the Hot-Dip Galvanizing Industry. Therefore, it is worthwhile to improve the toughness of Fe2B phase. In this study, the fracture toughness property of Fe2B phase with and without micro-addition chromium is investigated. In comparison with pure Fe2B phase, the intrinsic brittleness of Fe2B phase with chromium is lower. In addition, the valence electron structure of Fe2B containing various chromium content is calculated by the method of bond length difference (BLD). The results show that, in the (Fe1-x Crx)2B phase, the number of covalent electron pairs and the weaker bond energy are increased by the substituting atom-Cr. The calculated results are in good agreement with experimental observations.

Effect of Cr3C2on Valence-Electron Structure and Plasticity of Rim Phase in Ti(C,N)-Based Cermets

2004 ◽  
Vol 87 (3) ◽  
pp. 460-464 ◽  
Author(s):  
Yong Zheng ◽  
Min You ◽  
Weihao Xiong ◽  
Wenjun Liu ◽  
Shengxiang Wang
Keyword(s):  
Valence Electron ◽  
Electron Structure ◽  
Valence Electron Structure

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.

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