Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

径向剪切干涉法综合诊断光束质量研究

 为了解决高功率激光装置光束质量诊断系统的自验证问题，研究了基于空间相位调制的径向剪切干涉法综合诊断光束质量的实验应用。该方法理论上只需一台干涉仪且从单幅干涉图中获取光束的近场、相位和远场分布信息。实验结果表明，目前可以得到高分辨率的相位分布，由测量近场和相位恢复出的远场同CCD直接测量得到的远场形态相同，环围能量比曲线相当吻合，不足之处在于只能提取近场较低空间频率成分，还达不到CCD直接测量的空间分辨水平。     

纳米晶复合Pr2Fe14B/α-Fe永磁材料磁性的研究

采用熔体快淬的方法制备Pr₂Fe₁₄B/α-Fe纳米晶复合永磁材料.使用振动样品磁强计(VSM)测量样品的室温磁性能.实验合金成分为(Pr_xFe_94.3-xB_5.7)_0.99Zr₁(其中x＝8.2，8.6，9.0，9.4，9.8，10.2，10.6，11.0，11.4(原子分数，%)).系统地研究了辊速及合金成分对快淬带磁性能的影响，当Pr原子分数由8. 关键词： 纳米复合永磁材料 熔体快淬 2Fe₁₄B/α-Fe')" href="#">Pr₂Fe₁₄B/α-Fe 磁性     

脉冲磁场处理对碳纳米管掺杂MgB2线材临界电流密度的影响

对碳纳米管(CNT)掺杂MgB₂超导体磁场处理后的行为进行了研究. 结果表明，CNT掺杂MgB₂超导体经5T脉冲磁场处理后临界电流密度J_c(H)在低磁场下提高了2—3倍，高场下提高一个数量级以上，扫描电镜结果显示CNT沿着处理磁场方向规则排列并且成为MgB₂基体的形核中心和高效的磁通钉扎中心. 关键词： 2')" href="#">MgB₂ 碳纳米管 脉冲磁场处理     

氢氯噻嗪与DNA相互作用的光谱研究

用紫外光谱法和荧光光谱法研究了氢氯噻嗪(HCT)和小牛胸腺DNA(ctDNA)之间的相互作用.在pH 7.0的磷酸盐缓冲溶液中,HCT的荧光激发峰和发射峰分别位于278nm和360nm处.ctDNA的加入对HCT的荧光存在着很强的荧光猝灭作用,这种荧光静态猝灭作用是由ctDNA和HCT键合引起,键合常数为1.12×10-4L/mol(25℃).采用紫外光谱,离子强度的影响和Ⅰ-猝灭等条件实验研究了HCT与DNA间的相互作用.DNA浓度的变化不改变它们的作用,属于沟槽作用模式.     

含有五边形—七边形缺陷的单壁纳米碳管的输运性质研究

运用第一性原理的密度泛函理论结合非平衡格林函数研究了含有五边形—七边形拓扑缺陷的纳米碳管异质结的输运性质.结果发现：拓扑缺陷对碳管的输运性质有很大影响；另外，不同类型的碳管形成的异质结的输运性质也有明显的差异. 关键词： 纳米碳管 输运性质 异质结 透射系数     

相干梯度敏感干涉测量技术及在静态断裂力学实验中的应用

介绍了相干梯度敏感(CGS)干涉测量技术的基本原理及其在静态Ⅰ型断裂实验中的应用,验证了该方法对裂纹尖端局部变形场和断裂特性进行定量研究的可行性。给出了代表静态Ⅰ型裂纹尖端奇异场光力学信息的CGS控制方程,模拟并分析了Ⅰ型裂纹尖端的CGS条纹模式,对静态Ⅰ型裂纹尖端变形场和断裂特性进行了三点弯曲的CGS试验,并提取了应力强度因子KⅠ。结果表明,试验结果与理论分析结果相吻合。     

Crystal field analysis of the magnetization curves of R2Fe17 and R2Fe17H3 (R=Tb,Ho,Er)

In this paper the values of the crystalline-electric-field parameters A_nm for R₂Fe₁₇ and R₂Fe₁₇H₃ (R=Tb,Ho,Er) are evaluated by fitting calculations to the magnetization curves measured on the single crystal at several temperatures. The fitted A_nm for R₂Fe₁₇ are strikingly different from those for the corresponding R₂Fe₁₇H₃. The energy gaps between the lowest four energy levels for Ho ions in Ho₂Fe₁₇₂ can be reproduced by using the fitted A_nm and exchange field 2μ_BH_ex, which estimated from the fit of the temperature dependence of the spontaneous magnetization combined with inelastic neutron scattering experiment.     

Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

Optical characteristics of semiconductor saturable absorber mirrors investigated by the reflection Z-scan technique

Recently, the semiconductor saturable absorber mirror (SESAM) has become a key component of passive mode-locked solid-state lasers. Here we present a simple method based on the reflection Z-scan technique to measure the key optical parameters of SESAM such as saturation fluence and modulation depth. The experimental results demonstrate that our method is able to perform with a high accuracy of 10⁻⁴ and a dynamic range of over four orders of magnitude.