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A first-principles investigation on mechanical and metallic properties of titanium carbides under pressure 被引量:1
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作者 Xiaojing Sha Namin Xiao +1 位作者 Yongjun Guan xiaosu yi 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2018年第10期1953-1958,共6页
The titanium carbides are potential candidates to achieve both high hardness and refractory property. We carried out a structural search for titanium carbides at three pressures of 0 GPa, 30 GPa and 50 GPa. A phase di... The titanium carbides are potential candidates to achieve both high hardness and refractory property. We carried out a structural search for titanium carbides at three pressures of 0 GPa, 30 GPa and 50 GPa. A phase diagram of the Ti-C system at 0 K was obtained by elucidating formation enthalpies as a function of compositions, and their mechanical and metallic properties of titanium carbides were investigated sys- tematically. We also discussed the relation of titanium concentration to the both mechanical and metallic properties of titanium carbides. It has been found that the average valence electron density and tractil-ity improved at higher concentrations of titanium, while the degree of covalent bonding directionality decreased. To this effect, the hardness of titanium carbide decreases as the content of titanium increases. Our results indicated that the titanium content significantly affected the metallic properties of the Ti-C system. 展开更多
关键词 First-principles calculation Transition metal carbides Mechanical property and hardness High pressure phase stability
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Phase separation time/temperature dependence of thermoplastics-modified thermosetting systems
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作者 Xiujuan ZHANG xiaosu yi Yuanze XU 《Frontiers of Chemical Science and Engineering》 SCIE EI CSCD 2008年第3期276-285,共10页
The cure-induced phase separation processes of various thermoplastics(TP)-modified thermosetting systems which show upper critical solution temperature(UCST)or lower critical solution temperature(LCST)were studied wit... The cure-induced phase separation processes of various thermoplastics(TP)-modified thermosetting systems which show upper critical solution temperature(UCST)or lower critical solution temperature(LCST)were studied with emphasis on the temperature dependency of the phase separation time and its potential application in the cure time-temperature processing window.We found that the phase separation time/temperature relationship follows the simple Arrhenius equation.The cure-induced phase separation activation energy E_(a)(ps)generated from the linear fitting of the Arrhenius equation is irrelevant to the detection means of phase separation time.We also found that E_(a)(ps)is insensitive to TP content,TP molecular weight and curing rate,but it changes with the cure reaction kinetics and the chemical environment of the systems.With the established phase separation time-temperature dependence relation,we can easily establish the whole cure time-temperature transformation(TTT)diagram with morphology information which is a useful map for the TP/TS composites processing industry. 展开更多
关键词 polymerization induced phase separation THERMOSETTING THERMOPLASTIC time and temperature dependence Arrhenius equation TTT diagram
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