Relationship Between the Valence Electron Structure and Hardness and Melting Point of Tungsten

doi:10.3696/j.issn.1672-6952.2010.03.006

Journal of Liaoning Petrochemical University ›› 2010, Vol. 30 ›› Issue (3): 21-23.DOI: 10.3696/j.issn.1672-6952.2010.03.006

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Relationship Between the Valence Electron Structure and Hardness and Melting Point of Tungsten

LI Fei¹, ZHAO Xia¹, JIN Yu-hua², LI Xin²

1.College of Vocational Technology, Liaoning Shihua University, Fushun Liaoning 113001, P.R.China; 2.Xiaonan Mine, Tiefa Coal Industry Group Co. Ltd., Diaobingshan Liaoning 112700, P.R.China

Received:2010-03-01 Published:2010-09-25 Online:2017-07-05

钨的价电子结构与硬度和熔点的关系

李飞1,赵侠1,金玉华2,李鑫2

1.辽宁石油化工大学职业技术学院,辽宁抚顺113001;2.铁法煤业集团有限责任公司晓南矿,辽宁调兵山112700

作者简介:李飞(1979-),男,辽宁沈阳市,讲师,硕士。

Abstract

Abstract:

Based on the empirical electron theory of solids and molecules (EET), the valence electron structure and bond energy values on each bond in tungsten crystals were calculated. Moreover, the bond network distribution of phase space and the relationship between bond energy and melting point were studied. The results show that the tungsten crystal has the higher hardness because the strongest bond (nA＝0.435 79) and the second strongest bond (nB＝0.085 62 )in W cell constitute a solid network structure. The metal W shows a higher melting point is attributed to the bond energy EA of the strongest bond is higher (113.865 87 kJ/mol).

Key words: Tungsten , , Valence electron structure , Bond network structure , Bond energy , Melting point

摘要： 基于固体与分子经验电子理论(EET),计算了金属钨的价电子结构及晶体中各键上的键能值,研究
了相的空间键络分布及键能与熔点的关系。结果表明,钨晶胞中最强键(nA =0.43579)和次强键(nB=0.08562)交
织构成了坚固的网状结构,使得晶体具有较高的硬度;最强键的键能EA =113.86587kJ/mol,使金属表现为较高的
熔点。

关键词: 钨 , 价电子结构 , , 键络结构 , 键能 , 熔点

LI Fei, ZHAO Xia, JIN Yu-hua, LI Xin. Relationship Between the Valence Electron Structure and Hardness and Melting Point of Tungsten[J]. Journal of Liaoning Petrochemical University, 2010, 30(3): 21-23.

李飞,赵侠,金玉华,李鑫. 钨的价电子结构与硬度和熔点的关系[J]. 辽宁石油化工大学学报, 2010, 30(3): 21-23.

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Relationship Between the Valence Electron Structure and Hardness and Melting Point of Tungsten

钨的价电子结构与硬度和熔点的关系

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