First-principles investigation on the elastic stability and thermodynamic properties of Ti2SC

Using Vanderbilt-type plane-wave ultrasoft pseudopotentials within the generalized gradient approximation（GGA） in the frame of density functional theory（DFT）,we have investigated the crystal structures,elastic,and thermodynamic properties for Ti2SC under high temperature and high pressure.The calculated pressure dependence of the lattice volume is in excellent agreement with the experimental results.The calculated structural parameter of the Ti atom experienced a subtle increase with applied pressures and the increase suspended under higher pressures.The elastic constants calculations demonstrated that the crystal lattice is still stable up to 200 GPa.Investigations on the elastic properties show that the c axis is stiffer than the a axis,which is consistent with the larger longitudinal elastic constants（C 33,C 11） relative to transverse ones（C 44,C 12,C 13）.Study on Poisson＇s ratio confirmed that the higher ionic or weaker covalent contribution in intra-atomic bonding for Ti2SC should be assumed and the nature of ionic increased with pressure.The ratio（B/G） of bulk（B） and shear（G） moduli as well as B/C 44 demonstrated the brittleness of Ti2SC at ambient conditions and the brittleness decreased with pressure.Moreover,the isothermal and adiabatic bulk moduli displayed opposite temperature dependence under different pressures.Again,we observed that the Debye temperature and Gru篓neisen parameter show weak temperature dependence relative to the thermal expansion coefficient,entropy,and heat capacity,from which the pressure effects are clearly seen.     

ZnMO(M=Cd,Mg)纳米管发光性能的第一性原理研究

采用热蒸发法制备得到掺Cd量为3.3at%的ZnO纳米管,室温光致发光谱(PL)显示,由于Cd的掺入,ZnCdO纳米管的紫外近带边发射(UV NBE)从纯ZnO的3.26 eV红移到3.20 eV附近。应用基于密度泛函理论研究锯齿型(9,0)ZnMO(M=Cd,Mg)单壁纳米管的电子结构。分析发现Cd掺杂纳米管与薄膜相似,能隙随掺杂量增加逐渐减小,出现红移;而Mg掺杂纳米管则不同,能带变化没有规律性。     

小湾水电站坝址区低高程岸坡表生改造特征及机制研究

摘要：小湾水电站坝基、水垫塘边坡及低高程排水洞系统广泛地揭示了低高程岸坡的地质特征。基于现场调查和二维弹塑性有限元分析,深化认识了低高程岸坡表生改造特征：（1）它是在建造和构造改造的基础上进行的：原构造缓倾角节理扩展、错动;陡倾角节理扩展、产状改变以及错动;新生了大量中缓倾角裂隙;表生改造程度向坡内减弱。（2）建立了低高程岸坡表生改造缓裂生成机制模型,分析了其生成过程。（3）在二维弹塑性有限元分析中,基于拉破坏区分布、剪应变和点安全度等指标,分析了低高程岸坡卸荷松弛范围,其中谷底表生改造明显影响深度为6~9m。     

高温高压生长宝石级金刚石单晶的表面特征研究

本文利用高温高压温度梯度法,NiMnCo合金作为触媒,分别采用籽晶{100}和{111}作为生长面,合成了Ib型宝石级金刚石单晶,对其表面特征进行了分析和讨论.结果发现,宝石级金刚石单晶的表面特征不具有唯一性,多数情况下,晶体{111}面明显较{100}面平整,而且{100}面生长台阶的棱角不清晰,经常会出现经触媒融融过的痕迹,并且这种现象的出现跟籽晶生长面不同和合成温度条件高低无关;{111}面有时也会出现明显的生长台阶,棱角清晰,并且形状较为规则.宝石级金刚石晶体表面特征的不唯一性说明晶体表面特征对生长条件稳定性有更高的要求.     

Characterisation of the high-pressure structural transition and elastic properties in boron arsenic

This paper carries out the First principles calculation of the crystal structures (zinc blende (B3) and rocksalt (B1)) and phase transition of boron arsenic (BAs) based on the density-functional theory. Using the relation between enthalpy and pressure, it finds that the transition phase from the B3 structural to the B1 structural occurs at the pressure of 113.42GPa. Then the elastic constants C₁₁, C₁₂, C₄₄, bulk modulus, shear modulus, Young modulus, anisotropy factor, Kleinman parameter and Poisson ratio are discussed in detail for two polymorphs of BAs. The results of the structural parameters and elastic properties in B3 structure are in good agreement with the available theoretical and experimental values.     

光系统Ⅱ核心复合物激发能传递光谱特性

采用ICCD皮秒、飞秒扫描成象光谱装置研究PSⅡ核心复合物激发能传递光谱特性,获得的PSⅡ积分荧光谱从661nm到693nm,峰值波长680nm,有四个组分谱,谱的峰值分别为670nm、676nm、681nm、686nm.CP43有Chla₆₆₀⁶⁶¹、Chla₆₆₉⁶⁷⁰和Chla₆₈₂⁶⁸⁶三个光谱组分;CP47有Chla₆₆₀⁶⁶¹、Chla₆₆₉⁶⁷⁰和Chla₆₈₀⁶⁸¹三个光谱组分.根据吸收光谱和组分光谱分析,PSⅡ核心天线各自有三种不同状态的Chla分子,它们是CP43-Chla₆₆₀⁶⁶¹、CP43-Chla₆₆₉⁶⁷⁰、CP43-Chla₆₈₂⁶⁸⁶与CP47-Chla₆₆₀⁶⁶¹、CP47-Chla₆₆₉⁶⁷⁰、CP47-Chla₆₈₀⁶⁸¹.通过四个光谱组分分析了PSⅡ核心复合物激发能传递的光谱特性.     

类比教学与思维品质

类比是思维的一种重要形式．物理教学中巧用类比,能达到启迪、训练、优化学生思维品质的目的,有“减负增能”之功效．本文就类比方法的应用,谈谈浅见．１物理教学中常用的类比方法１．１简单共存类比 是以简单共存关系作为推理中介的一种类比．这种,共存关系,就是类比对象的各个属性．例如,在讲授原子核裂变时,可以通过介绍历史上对这一问题的发现过程来启迪学生的思维．１９３８年,物理学家弗利胥受玻尔在原子核研究中提出的“液滴模型”的启发,把原子核想象为水滴,并从水滴破裂想象铀核的分裂．这个类比关系可表示如下：１．２…     

Research on the ultrafast fluorescence property of thylakoid membranes of the wild-type and mutant rice

A high yielding rice variety mutant (Oryza sativa L., Zhenhui 249) with low chlorophyll b (Chl b) has been discovered in natural fields. It has a quality character controlled by a pair of recessive genes (nuclear gene). The partial loss of Chl b in content affects the efficiency of light harvest in a light harvest complex (LHC), thus producing the difference of the exciting energy transfer and the efficiency of photochemistry conversion between the mutant and wild-type rice in photosynthetic unit. The efficiency of utilizing light energy is higher in the mutant than that in the wild-type rice relatively. For further discussion of the above-mentioned difference and learning about the mechanism of the increase in the photochemical efficiency of the mutant, the pico-second resolution fluorescence spectrum measurement with delay-frame-scanning single photon counting technique is adopted. Thylakoid membranes of the mutant and the wild-type rice are excited by an Ar^+ laser with a pulse width of 120 ps, repetition rate of 4 MHz and wavelength of 514 nm. Compared with the time and spectrum property of exciting fluorescence, conclusions of those ultrafast dynamic experiments are: 1) The speeds of the exciting energy transferred in photo-system I are faster than that in photo-system II in both samples. 2) The speeds of the exciting energy transfer of mutant sample are faster than those of the wild-type. This might be one of the major reasons why the efficiency of photosynthesis is higher in mutant than that in the wild-type rice.     

固相萃取和高效液相色谱相结合快速测定苦瓜甙A的含量(英文)

 建立了一个快速、简单、准确的固相萃取和高效液相色谱相结合的测定苦瓜甙A含量的方法。样品经石墨碳固相萃取管 (3mL/ 2 5 0mg)纯化后以高效液相色谱检测。色谱柱为C18,流动相为V(乙腈 )∶V(甲醇 )∶V(5 0mmol/L磷酸二氢钾缓冲液 ) =2 5∶2 0∶6 0 ,流速为 0 .8mL/min ,检测波长为 2 0 8nm。标准曲线自 10mg/L到 10 0 0mg/L呈线形关系 (r2 =0 .9992 )。该方法具有很好的重现性 ,日内或日间的相对标准偏差和相对平均误差均小于 10 %。样品回收率大于 90 %。     

电解氧化法膨胀石墨形成机理研究

采用现代测试方法对电解氧化法制备的膨胀石墨各阶段产物进行了表征 ,对其形成机理作了一些探讨。结果证实 ,在氧化过程中 ,层间表面的石墨被氧化后 ,与嵌入层间的H2 SO4、H2 O等生成层间化合物 ,该化合物瞬间受高热而分解 ,产生的推力使石墨沿C轴方向膨胀 ,而层平面碳 -碳结构未被破坏。