VALENCE ELECTRON STRUCTURE ANALYSIS OF INTERFACE OF FeAl/TiN COMPOSITES

Based on Pauling's nature of chemical bond, the valence electron structures of TiN and FeAl have been constructed, and the relative electron density differences (REDD) between the low index plane of TiN and FeAl , respectively, have been calculated. [110] FeAl //[110] TiN crystallography orientation has been set up from the minimization of the electron density difference across the interface. From the viewpoint of improving the mechanical properties of composites, the formation of such structures must been engineered in the fabrication processing.

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INTERFACE ELECTRON STRUCTURE OFTiC–NiAlCOMPOSITES

Surface Review and Letters ◽

10.1142/s0218625x12500564 ◽

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.

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

Materials Science Forum ◽

10.4028/www.scientific.net/msf.704-705.389 ◽

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

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The Carbon Source Analysis for Diamond Crystal Growth from Fe-C System at High Pressure-High Temperature

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.51.141 ◽

2008 ◽

Vol 51 ◽

pp. 141-147

Author(s):

Bin Xu ◽

Li Li ◽

Mu Sen Li ◽

Cai Gao ◽

Ren Hong Guo

Keyword(s):

High Pressure ◽

Crystal Growth ◽

High Temperature ◽

Carbon Source ◽

Electron Density ◽

Growth Mechanism ◽

Valence Electron ◽

Diamond Crystal ◽

Relative Electron Density ◽

Relative Electron

Despite many studies have been carried, there is no clear understanding of the growth mechanism involved in the high-pressure and high-temperature (HPHT) diamond synthesis with metal catalyst, especially the problem about carbon source. In this paper, the lattice constants of diamond, graphite and Fe3C at HPHT were calculated with the linear expansion coefficient and elastic constant. Then based on the empirical electron theory of solids and molecules (EET), the valence electron structures of them and their common crystal planes were calculated, and the boundary condition of electron movement in the Thomas-Fermi-Dirac theory modified by Cheng (TFDC) was applied to analyzing the electron density continuity of the interface. It was found that the relative electron density differences across graphite/diamond interfaces are great and discontinuous at the first order of approximation, while the relative electron density differences across Fe3C/diamond interfaces were continuous. The results show that the carbon atom cluster is easier to decompose from Fe3C than from graphite and to transform into diamond structure, so the carbon source for diamond crystal growth may come from the decomposition of Fe3C instead of graphite. Accordingly, the diamond growth mechanism was analyzed from the viewpoint of valence electron structure.

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STUDY ON THE RELATIONSHIP BETWEEN VALENCE ELECTRON STRUCTURE AND COATING ORIENTED GROWTH

Surface Review and Letters ◽

10.1142/s0218625x15500390 ◽

2015 ◽

Vol 22 (03) ◽

pp. 1550039

Author(s):

SHUYONG TAN ◽

XUHAI ZHANG ◽

RUI ZHEN ◽

LEI ZHANG ◽

ZENG TIAN ◽

...

Keyword(s):

Electron Density ◽

Valence Electron ◽

Preferred Orientation ◽

Density Difference ◽

Crystal Face ◽

Oriented Growth ◽

Valence Electron Structure ◽

Electron Density Difference ◽

Fine Grain ◽

Calculation Results

The coating oriented growth has attracted great attention because of its effect on coating properties. In this paper, the valence electron structures of TiN and Ni were calculated with the empirical electron theory (EET) in solid and molecules for investigating preferred orientation of nitride coatings containing Ni . The calculation results show that Ni (111), CrN (100) and TiN (100) are the maximum crystal-face electron density, respectively. In CrN (or TiN ) coatings, if Ni does not form a single nickel phase, CrN (100) (or TiN (100)) preferred orientation appears easily due to its high crystal-face electron density. When Ni exists as a single phase, CrN (100)/ Ni (111) (or TiN (100)/ Ni (111)) with the minimum crystal-face electron density difference is the most likely to appear in the coatings. Furthermore, high crystal-face electron density difference usually implies fine grain microstructure. The calculation results are consistent with the experimental results.

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Relative electron density calibration of CT scanners for radiotherapy treatment planning.

British Journal of Radiology ◽

10.1259/bjr.72.860.10624344 ◽

1999 ◽

Vol 72 (860) ◽

pp. 781-786 ◽

Cited By ~ 79

Author(s):

S J Thomas

Keyword(s):

Treatment Planning ◽

Electron Density ◽

Radiotherapy Treatment Planning ◽

Relative Electron Density ◽

Relative Electron ◽

Ct Scanners ◽

Radiotherapy Treatment

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SU-E-T-530: Relative Electron Density Phantom Comparison

Medical Physics ◽

10.1118/1.4735619 ◽

2012 ◽

Vol 39 (6Part18) ◽

pp. 3827-3827 ◽

Cited By ~ 1

Author(s):

B Rasmussen ◽

K Chu ◽

S Tong

Keyword(s):

Electron Density ◽

Relative Electron Density ◽

Relative Electron

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SU-E-T-599: The Variation of Hounsfield Unit and Relative Electron Density Determination as a Function of KVp and Its Effect On Dose Calculation Accuracy

Medical Physics ◽

10.1118/1.4888935 ◽

2014 ◽

Vol 41 (6Part21) ◽

pp. 365-365

Author(s):

A Ohl ◽

S De Boer

Keyword(s):

Electron Density ◽

Dose Calculation ◽

Hounsfield Unit ◽

Density Determination ◽

Relative Electron Density ◽

Relative Electron

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SU-F-I-24: Feasibility of Magnetic Susceptibility to Relative Electron Density Conversion Method for Radiation Therapy

Medical Physics ◽

10.1118/1.4955852 ◽

2016 ◽

Vol 43 (6Part7) ◽

pp. 3392-3392

Author(s):

K Ito ◽

N Kadoya ◽

M Chiba ◽

K Sato ◽

T Nagasaka ◽

...

Keyword(s):

Magnetic Susceptibility ◽

Radiation Therapy ◽

Electron Density ◽

Conversion Method ◽

Relative Electron Density ◽

Relative Electron

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Valence Electron Structure Analysis of Intrinsic Hardness for Diamond and c-BN

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.554-556.687 ◽

2012 ◽

Vol 554-556 ◽

pp. 687-690

Author(s):

Xiao Jun Zhang ◽

Bin Gao ◽

Peng Fei Cheng

Keyword(s):

Slip System ◽

Chemical Bond ◽

Structure Analysis ◽

Valence Electron ◽

Covalent Bond ◽

Electron Structure ◽

Valence Electron Structure ◽

Plane System ◽

Nature Of Chemical Bond ◽

The Relationship

Based on the Pauling’s nature of chemical bond, the valence electron structures of diamond and c-BN crystals have been constructed. Then the relationship between covalent bond and glide plane system is analyzed. The results show that the hardness of diamond and c-BN is correlated to the covalent electron structure and the slip system of crystals. The hardness for diamond and c-BN so large is explained satisfactory form valence electron structures.

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