长期以来,由于实验测试和数据分析上的困难,对液态物质的性质和结构研究未能象研究晶态和非晶态固体物质那样有相应的发展。已发表的有关液态物质性质和结构的研究工作较少,至今对固—液相变的微观机理及液态金属和化合物的结构等许多...长期以来,由于实验测试和数据分析上的困难,对液态物质的性质和结构研究未能象研究晶态和非晶态固体物质那样有相应的发展。已发表的有关液态物质性质和结构的研究工作较少,至今对固—液相变的微观机理及液态金属和化合物的结构等许多问题仍不很清楚。液态是物质在自然界存在的主要形式之一,随着科学技术发展的需要,人们更为迫切地要求了解物质在液态时的结构和性质。研究液态物理中的问题愈来愈受到国内外的重视。液态物质的结构研究则是液态物理的一个关键问题。液态物质往往有很大的无序度,通常的结构测试手段难于得到有用的结构信息。由于X-ray absorption fine structure(XAFS)技术本身的特点,XAFS是研究无序体系结构很有效的方法,但目前研究液态物质取得的成果很少,主要有两方面的原因,一是要保持微米量级厚度的液态样品不漏光和不塌落较为困难;二是无序体系的XAFS数据分析需要选用适当的原子配位分布函数模型。本文用蒸发镀膜技术制备Ga样品,XAFS研究金属Ga从液氮温度一直到熔化为液态之后的结构变化。展开更多
The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put...The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.展开更多
文摘长期以来,由于实验测试和数据分析上的困难,对液态物质的性质和结构研究未能象研究晶态和非晶态固体物质那样有相应的发展。已发表的有关液态物质性质和结构的研究工作较少,至今对固—液相变的微观机理及液态金属和化合物的结构等许多问题仍不很清楚。液态是物质在自然界存在的主要形式之一,随着科学技术发展的需要,人们更为迫切地要求了解物质在液态时的结构和性质。研究液态物理中的问题愈来愈受到国内外的重视。液态物质的结构研究则是液态物理的一个关键问题。液态物质往往有很大的无序度,通常的结构测试手段难于得到有用的结构信息。由于X-ray absorption fine structure(XAFS)技术本身的特点,XAFS是研究无序体系结构很有效的方法,但目前研究液态物质取得的成果很少,主要有两方面的原因,一是要保持微米量级厚度的液态样品不漏光和不塌落较为困难;二是无序体系的XAFS数据分析需要选用适当的原子配位分布函数模型。本文用蒸发镀膜技术制备Ga样品,XAFS研究金属Ga从液氮温度一直到熔化为液态之后的结构变化。
基金Project (IP08-092009) supported by Sino Swiss Science and Technology Cooperation (SSSTC)Project (50971136) supported by the National Natural Science Foundation of ChinaProject (1343-71134001013) supported by the Scholarship Award for Excellent Doctoral Student granted by Ministry of Education of China
文摘The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.
