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A STUDY OF TEMPERATURE-DEPENDENT VALENCE BOND STRUCTURE OF TITANIUM |
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| Authors: | XB Li YQ Xie YZ Nie HJ Peng HJ Tao FX Yu |
| Affiliation: | Central South University |
| Abstract: | On the basis of energy and shape method for the determination of the valence bond (VB) structures of crystal, the valence bond structure of titanium is redetermined at room temperature and calculated in the whole temperature range of 0-1943K. The outer shell electronic distribution of Ti is ec2.9907 .(sc0.4980 dc2.4927) ef1.0093 in crystal. The temperature dependences of the VB structures of hcp and bcc phases are the same. The VB structures of hcp and bcc phases monotonically increase or decrease with the increase in temperature, but show discontinuous changes at the phase-transformation temperature 1155K. |
| Keywords: | valence bond structure temperature titanium TITANIUM STRUCTURE BOND VALENCE show discontinuous changes decrease increase shell electronic distribution structures titanium room temperature range crystal basis energy shape |
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