Departing from an analytical phase transformation model, a new analytical approach to deduce transformed fraction for non-isothermal phase transformation was developed. In the new approach, the effect of the initial t...Departing from an analytical phase transformation model, a new analytical approach to deduce transformed fraction for non-isothermal phase transformation was developed. In the new approach, the effect of the initial transformation temperature and the accurate ＂temperature integral＂ approximations are incorporated to obtain an extended analytical model. Numerical approach demonstrated that the extended analytical model prediction for transformed fraction and transformation rate is in good agreement with the exact numerical calculation. The new model can describe more precisely the kinetic behavior than the original analytical model, especially for transformation with relatively high initial transformation temperature. The kinetic parameters obtained from the new model are more accurate and reasonable than those from the original analytical model.展开更多
The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index met...The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method （CTIM）. It is found that during the relaxation process, the formation and evolution of bcc phase are closely dependent on the initial temperature and structure. During the simulation time scale, when the initial temperature is in the range of supercooled liquid region, the bcc phase can be formed and kept a long time; while it is in the range of glassy region, the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one, the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald＇s ＂step rule＂ is impactful during the isothermal relaxation process of the supercooled and glassy Pb, and the metastable bcc phase plays an important role in the precursor of crystallization.展开更多
Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular s...Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular structure of the novolac-type phenolic resin and the benzoxazine-phenolic copolymer BP31. In order to understand the curing process of the copolymers, the curing behavior and curing kinetic characteristics were studied by differential scanning calorimetry （DSC）, and the catalytical effect of phenolic hydroxyl on the curing behavior of copolymers was investigated. To investigate the thermal properties of this resin, the thermal degradation behaviors of the cured samples were studied by thermal gravimetric （TG） method, and glass-transition temperatures （Tg） of the cured copolymers were also evaluated by DSC. The dynamic Ozawa method was adopted to determine the kinetic parameters of the curing process as well. The activation energy is 78.8 kJ/mol and the reaction rate constant is in the range from 40.0 to 5.2 （K/min）＂ according to reaction temperatures. The Ozawa exponent decreases from 2.4 to 0.7 with the increase of reaction temperature, and curing mechanism is expounded briefly according to the results. TG result shows that the highest char yield of copolymers is 50.3%. The highest Tg of copolymers is 489 K, which is much higher than that of pure benzoxazine resin.展开更多
基金Projects (09-QZ-2008, 24-TZ-2009) supported by the Free Research Fund of State Key Laboratory of Solidification Processing, ChinaProject (B08040) supported by the Program of Introducing Talents of Discipline to Universities, China+3 种基金Projects (51071127, 51134011) supported by the National Natural Science Foundation of ChinaProject (JC200801) supported by the Fundamental Research Fund of Northwestern Polytechnical University, ChinaProject (51125002) supported by the National Science Foundation for Distinguished Young Scholars, ChinaProject (2011CB610403) supported by the National Basic Research Program of China
文摘Departing from an analytical phase transformation model, a new analytical approach to deduce transformed fraction for non-isothermal phase transformation was developed. In the new approach, the effect of the initial transformation temperature and the accurate ＂temperature integral＂ approximations are incorporated to obtain an extended analytical model. Numerical approach demonstrated that the extended analytical model prediction for transformed fraction and transformation rate is in good agreement with the exact numerical calculation. The new model can describe more precisely the kinetic behavior than the original analytical model, especially for transformation with relatively high initial transformation temperature. The kinetic parameters obtained from the new model are more accurate and reasonable than those from the original analytical model.
基金Projects (50831003, 50571037) supported by the National Natural Science Foundation of China
文摘The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method （CTIM）. It is found that during the relaxation process, the formation and evolution of bcc phase are closely dependent on the initial temperature and structure. During the simulation time scale, when the initial temperature is in the range of supercooled liquid region, the bcc phase can be formed and kept a long time; while it is in the range of glassy region, the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one, the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald＇s ＂step rule＂ is impactful during the isothermal relaxation process of the supercooled and glassy Pb, and the metastable bcc phase plays an important role in the precursor of crystallization.
基金Project (20050106) supported by the Key Science and Technology Item of Guangdong Province,China
文摘Using novolac phenolic resin, aniline and formaldehyde as raw materials, benzoxazine-phenolic copolymers with different percentages of benzoxazine rings were prepared. FT-IR was adopted to characterize the molecular structure of the novolac-type phenolic resin and the benzoxazine-phenolic copolymer BP31. In order to understand the curing process of the copolymers, the curing behavior and curing kinetic characteristics were studied by differential scanning calorimetry （DSC）, and the catalytical effect of phenolic hydroxyl on the curing behavior of copolymers was investigated. To investigate the thermal properties of this resin, the thermal degradation behaviors of the cured samples were studied by thermal gravimetric （TG） method, and glass-transition temperatures （Tg） of the cured copolymers were also evaluated by DSC. The dynamic Ozawa method was adopted to determine the kinetic parameters of the curing process as well. The activation energy is 78.8 kJ/mol and the reaction rate constant is in the range from 40.0 to 5.2 （K/min）＂ according to reaction temperatures. The Ozawa exponent decreases from 2.4 to 0.7 with the increase of reaction temperature, and curing mechanism is expounded briefly according to the results. TG result shows that the highest char yield of copolymers is 50.3%. The highest Tg of copolymers is 489 K, which is much higher than that of pure benzoxazine resin.
