The reverse transformation temperature and recovery strain ratio of the martensite formed during the cooling process under a constant stress in TiNi shape memory alloy wires are studied in this paper. Results sh...The reverse transformation temperature and recovery strain ratio of the martensite formed during the cooling process under a constant stress in TiNi shape memory alloy wires are studied in this paper. Results show that a higher level of the applied constant stress during the cooling process will induce martensite with a higher reverse martensitic transformation start temperature As and a smaller recovery strain ratio. Similarly, a prestrain at the room temperature elevates the As temperature and decreases the recovery strain ratio. However, the As temperature and the recovery strain ratio of the martensite formed during the cooling process under a constant stress are lower than those of the martensite formed by prestrain at the room temperature.展开更多
Interaction potentials for LiCI（X^1∑＋） are constructed by the highly accurate valence internally contracted multireference configuration interaction in combination with a number of large correlation-consistent bas...Interaction potentials for LiCI（X^1∑＋） are constructed by the highly accurate valence internally contracted multireference configuration interaction in combination with a number of large correlation-consistent basis sets, which are used to determine the spectroscopic parameters （D0, De, Re, ωe, ωeχe, Be and αe）. The potentials obtained at the basis sets, i.e., aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li, are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0 ×10^-12 to 1.0× 10-4 a.u. The derived total elastic cross sections are very large and almost constant at ultralow temperatures, and their shapes are mainly dominated by the s-partial wave at very low impact energies. Only one shape resonance can be found in the total elastic cross sections over the present collision energy regime, which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves. Abundant resonances exist for the elastic partial-wave cross sections until l= 22 partial waves. The vibrational manifolds of the LiCI（X^1∑＋） molecule, which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl, should achieve much high accuracy due to the employment of the large correlation-consistent basis sets.展开更多
基金supported by the National Natural Science Foundation of the People’s Republic of China under grant No.50071037.
文摘The reverse transformation temperature and recovery strain ratio of the martensite formed during the cooling process under a constant stress in TiNi shape memory alloy wires are studied in this paper. Results show that a higher level of the applied constant stress during the cooling process will induce martensite with a higher reverse martensitic transformation start temperature As and a smaller recovery strain ratio. Similarly, a prestrain at the room temperature elevates the As temperature and decreases the recovery strain ratio. However, the As temperature and the recovery strain ratio of the martensite formed during the cooling process under a constant stress are lower than those of the martensite formed by prestrain at the room temperature.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 60777012 and 10874064)the Program for Science and Technology Innovation Talents in Universities of Henan Province,China (Grant No. 2008HASTIT008)
文摘Interaction potentials for LiCI（X^1∑＋） are constructed by the highly accurate valence internally contracted multireference configuration interaction in combination with a number of large correlation-consistent basis sets, which are used to determine the spectroscopic parameters （D0, De, Re, ωe, ωeχe, Be and αe）. The potentials obtained at the basis sets, i.e., aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li, are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0 ×10^-12 to 1.0× 10-4 a.u. The derived total elastic cross sections are very large and almost constant at ultralow temperatures, and their shapes are mainly dominated by the s-partial wave at very low impact energies. Only one shape resonance can be found in the total elastic cross sections over the present collision energy regime, which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves. Abundant resonances exist for the elastic partial-wave cross sections until l= 22 partial waves. The vibrational manifolds of the LiCI（X^1∑＋） molecule, which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl, should achieve much high accuracy due to the employment of the large correlation-consistent basis sets.
