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天津师范大学
Published:1988-03
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Yinnong Lin, Zhijie Liu. Micro-mechanism of hardening metal surface by ion implantation[J]. Nuclear techniques, 1988, 11(3): 38-41,62.
本文用
MS-X
α
和
DV-Xα
两种量子化学方法计算了N
+
、C
+
注入纯铁及各种钢所形成的
α
'、
γ
'及
ε
'铁氮、铁碳相的键能和电子态。认为键能是强化的主要因素之一,并据此对当前强化机制所不能解释的一些现象进行了分析,结果与实验相符。
Multiple scattering
X
α
and discrete variational
X
α
methods are applied to calculate the bondimg energy and the orbital and overlap population of electrons for various
α
'
γ
' and
ε
' FeN (C) phases formed by N
+
or C
+
ions implanted into iron or steel. Bonding energy is regarded as one of the most important factors responsible for hardening. There is good agreement between the calculation and the experimental data.
F. A. Smidt , Nucl. Instr. Meth. , B10/11 ( 1985 ), 532 .
G. Dearnaley et al . , ibid , B7/8 ( 1985 ), 188 .
S. Lorusso et al . , Surface modification by alloying , Plenum , New York , 1983 , p. 323 .
龙期威 , 物理 , 14 ( 1985 ), 6 : 325 。
K. Schwarz . Phys, Rev. , B5 ( 1972 ), 2466 .
K. Schwarz , Theor. Chem. Acta , 34 ( 1974 ), 225 .
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