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
Axisymmetric dual reciprocity boundary element method (DRBEM) with augmented items is extended to simulate the heat and mass transfer problems in the vertical Bridgman method (VBM) crystal growth of HgCdTe and CdZnTe....Axisymmetric dual reciprocity boundary element method (DRBEM) with augmented items is extended to simulate the heat and mass transfer problems in the vertical Bridgman method (VBM) crystal growth of HgCdTe and CdZnTe. Axial solute concentration redistribution of three regions numerically reap-pears, and the influence of the pulling rate of the ampoule on it is further studied. Secondly, one di-mensional transient phase change phenomena is studied, and non-isothermal phase change phe-nomena is obtained from the initial transient region through the steady growth region to the final tran-sient region. Thirdly, the two-dimensional axisymmetric phase change interface position, interfacial shape and the temperature field of the melt and the crystal are numerically captured under the condi-tion to arrive at the steady state with zero pulling rate of the ampoule. Finally, the study of transient axisymmetric non-isothermal phase change phenomena is stressed and the results are compared with those in isothermal phase change. The influence of the pulling rate on non-isothermal phase change phenomena is revealed.展开更多
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Supported by the National Natural Science Foundation of China (Grant No. 50336040)
文摘Axisymmetric dual reciprocity boundary element method (DRBEM) with augmented items is extended to simulate the heat and mass transfer problems in the vertical Bridgman method (VBM) crystal growth of HgCdTe and CdZnTe. Axial solute concentration redistribution of three regions numerically reap-pears, and the influence of the pulling rate of the ampoule on it is further studied. Secondly, one di-mensional transient phase change phenomena is studied, and non-isothermal phase change phe-nomena is obtained from the initial transient region through the steady growth region to the final tran-sient region. Thirdly, the two-dimensional axisymmetric phase change interface position, interfacial shape and the temperature field of the melt and the crystal are numerically captured under the condi-tion to arrive at the steady state with zero pulling rate of the ampoule. Finally, the study of transient axisymmetric non-isothermal phase change phenomena is stressed and the results are compared with those in isothermal phase change. The influence of the pulling rate on non-isothermal phase change phenomena is revealed.
