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

VALENCE ELECTRON STRUCTURE ANALYSIS OF INTERFACE OF FeAl/TiN COMPOSITES

2007 ◽  
Vol 14 (01) ◽  
pp. 17-21 ◽  
Author(s):  
L. X. PANG ◽  
K. N. SUN ◽  
S. REN ◽  
J. Q. BI ◽  
R. H. FAN
Keyword(s):  
Mechanical Properties ◽  
Electron Density ◽  
Valence Electron ◽  
Valence Electron Structure ◽  
Electron Density Difference ◽  
Relative Electron Density ◽  
Relative Electron ◽  
Nature Of Chemical Bond ◽  
Set Up ◽  
Properties Of 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.

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.

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.

Study on the Precipitated Behavior and Stability of the Strengthening Phase Al12(Fe,X)3Si in Al-Fe-Si-X Alloys with the EET Theory

2010 ◽  
Vol 152-153 ◽  
pp. 743-747
Author(s):  
Hua Qu ◽  
Wei Dong Liu ◽  
Gang Zhou ◽  
Xiao Lu Shen ◽  
Chuang Liu
Keyword(s):  
Valence Electron ◽  
Electron Structure ◽  
Alloying Elements ◽  
Strengthening Phase ◽  
Alloying Element ◽  
Valence Electron Structure ◽  
Empirical Electron Theory ◽  
Calculation Results ◽  
The Stability ◽  
State Group

According to the empirical electron theory of solid and molecule, the effects of alloying elements on the valence electron structure, precipitated behavior and stability of Al12Fe3Si were studied in this paper. The calculation results show that the adding of V, Cr, W, Mo and Mn change the valence electron structure of Al12Fe3Si, and make its number of atom state group N increased by 2 orders of magnitude, so it make the stability of the alloy increased and then delay the coarsening speed; the adding of alloying element makes the total ability of forming bond F reduced and accelerates the precipitated of Al12Fe3Si and make it refined; the order for the adding of the alloying elements V, Cr, W, Mo and Mn of the effects on stability of Al12Fe3Si is Cr(Mn)→W(Mo)→V, and that of accelerating the dispersion precipitated of Al12Fe3Si is Cr→V→Mo→W→Mn; when practicing to design Al-Fe-Si-X alloy, we can obtain it through controlling the ratio of Fe/X to refine the particles of Al12(Fe,X)3Si, therefore, its stability can be improved and its coarsening can be delayed.

Relationship between Valence Electron Structures and Mechanical Properties of ZL203

2012 ◽  
Vol 152-154 ◽  
pp. 336-341
Author(s):  
Hua Qu ◽  
Wei Dong Liu
Keyword(s):  
Mechanical Properties ◽  
Valence Electron ◽  
Strengthening Effect ◽  
Strengthening Phase ◽  
Electron Theory ◽  
Valence Electron Structure ◽  
Empirical Electron Theory ◽  
Dislocation Movement ◽  
Aging Stage ◽  
The Relationship

Based on the empirical electron theory of solids and molecules(EET) and valence electron theory of composition design of alloy, the valence electron structure(VES) of phases and phase interfaces of ZL203 are calculated in this paper, and the relationship between the VESs and mechanical properties are also studied. The results are as followed: 1) The of GP is bigger than of a, in other words, the resistance of dislocation movement in GP zone is bigger than that of in a matrix. 2) Compared with a matrix, the phases of q¢¢、q¢、q all have strengthening effects. From the bond combination of atoms composed in the strengthening phase of view, the strengthening effect of q is the best, that of q¢ is second, that of q¢¢ is the worst. 3) The precipitation sequence determined bynAis well accordance with that of depended on thermodynamics free energy. 4) The electron density difference Dr of a/GP, a/q" and a/q¢ interfaces increases one by one, and the stress of these interfaces also increases one by one, therefore the strength falls down one by one. 5) Combined with FSFs and ICFs, we can deduce that the best aging stage of ZL203 is the end of the precipitation of q¢¢ and the beginning of the precipitation of q¢.

ANALYSIS OF VALENCE ELECTRON STRUCTURE ONFe3AlCxPRECIPITATED FROM C-ALLOYED IRON ALUMINIDES

2013 ◽  
Vol 20 (01) ◽  
pp. 1350005 ◽  
Author(s):  
XIAO-FENG TIAN ◽  
WEI-KE ZHANG ◽  
YU QI
Keyword(s):  
Valence Electron ◽  
Theoretical Explanation ◽  
Electron Structure ◽  
Iron Aluminides ◽  
Electron Theory ◽  
Valence Electron Structure ◽  
Alloyed Iron ◽  
Empirical Electron Theory ◽  
The Matrix ◽  
Brittle Phase

Carbides of Fe3AlCxprecipitated from iron aluminides can strengthen the matrix; the empirical electron theory (EET) was applied to analyze the attribute of carbides in the paper, giving theoretical explanation on the matrix and precipitation. Valence electron structure (VES) of Fe3AlCxwas studied in detail, comparison with the iron aluminides matrix, the hard and brittle phase of Fe3AlCxcan be interpreted form the viewpoint of valence electron structure.

Sign in / Sign up

Export Citation Format

Share Document