金刚石层厚度对复合片(PDC)残余应力的影响

 通过X射线应力测试和有限元分析相结合的方法,研究了金刚石层厚度对聚晶金刚石复合片（PDC）残余应力的影响,并根据实验测试结果推导出了PDC表面中心与边缘的应力随金刚石层厚度变化的关系式。随着金刚石层厚度由0.5 mm增加到2.0 mm,PDC表面中心的压应力从1 800 MPa下降至700 MPa左右,而边缘部分的应力逐渐由压应力转为拉应力。金刚石层加厚虽然对边缘部分的最大拉应力影响不大,但使PDC边缘拉应力区宽度由0.76 mm增加到了2.85 mm。金刚石层厚度的增加还使得PDC边缘界面附近y方向的最大拉应力和位于界面边缘处的最大剪应力显著加大,这是金刚石层较厚的PDC界面容易产生裂纹的主要原因。     

氢气浓度对MPCVD金刚石膜色度的影响

利用自行设计的直接耦合石英管微波等离子体化学气相沉积装置, 以氢气和甲烷为反应气体, 沉积出八个金刚石膜样品。研究了氢气浓度对所沉积金刚石膜色度的影响。结果表明, 饱和纯度和色纯度随着H2浓度的增大而升高; 当H2浓度达到94.137%时, 饱和纯度和色度纯度达到最大, 分别为8.5%和9.5%; 之后随着H2浓度的进一步升高饱和纯度和色纯度开始下降。     

氢、氧终端掺硼金刚石薄膜的电子结构

利用氢微波等离子体溅射和浓酸中沸煮方法分别制备了氢、氧终端掺硼金刚石薄膜.借助X射线光电子能谱及接触角检测对两种终端薄膜表面进行了分析,通过扫描探针显微镜研究了针尖和样品间的扫描隧道谱.结果表明,氢终端掺硼金刚石表面能带向上弯曲,在高于价带顶位置存在浅受主能级;氧终端表面能带向下弯曲,带隙较宽,带隙中不存在表面态.对两种终端金刚石薄膜的导电机理进行了讨论. 关键词： 氢终端 氧终端 掺硼金刚石薄膜 电子结构     

碳同素异形体中的正电子理论

在密度函数理论的基础上,采用中性原子叠加模型和有限差分方法(SNA-FD)计算了石墨,金刚石和C60这三种碳的同素异形体中的正电子分布和湮没情况. 计算表明,在片层结构的石墨晶体中,正电子主要在石墨层间的空隙中湮没,计算出的石墨中的正电子寿命为208ps,与文献中的实验结果210ps符合很好. 在金刚石单晶中,正电子主要在碳原子之间的空隙中存在并发生湮没,计算出的金刚石中的正电子寿命为1159ps,与文献中的实验结果110ps相符合;在面心立方结构的C60晶体中,正电子主要在C60分子球壳内外侧及分子之 关键词： 石墨 金刚石 C60 正电子寿命     

类球状微米金刚石聚晶的场发射

在覆盖金属钛层的陶瓷上,采用微波等离子体化学气相沉积(MPCVD)法制备出类球状微米金刚石聚晶薄膜。利用扫描电子显微镜、拉曼光谱,X射线衍射,分析了薄膜的结构和表面形貌。测试了类球状微米金刚石聚晶膜的场致电子发射特性。开启电场仅为0.55V/μm,在2.18V/μm的电场下,其场发射电流密度高达11mA/cm2。仔细分析了膜的发射过程,发现类球状微米金刚石聚晶的结构对发射有很大影响,并对其发射机理进行了研究。     

Ba2CuO2Cl2的高压合成及原位高压结构稳定性研究

 在高温高压下合成出了单相的Ba₂CuO₂Cl₂化合物,在高压下对该化合物晶体结构的稳定性进行了研究。结果表明,在实验测量的压力范围内,Ba₂CuO₂Cl₂化合物的晶体结构是稳定的,并且其压缩性表现出较强的各向异性,计算得到了Ba₂CuO₂Cl₂化合物的体弹模量和状态方程。     

CVD金刚石薄膜生长中的偏压增强成核效应

实现金刚石薄膜的异质外延是目前ＣＶＤ金刚石薄膜制研究的主要奋斗目标，而直流负偏压增强金刚石成核法被认为是达到这一目标的有效途径。文章简要评述了微波等离子体ＣＶＤ制备金刚石薄膜中的直流负偏压增强成核法，以及由此而发展的直流正偏压增强成核法和叠加交流成分的直流负偏压增强成核法，介绍了它们在异质外延金刚石薄膜中的应用。     

关于六角系统的极植问题

本文讨论六角系统中将宽度与直径结合起来的几个极值问题，并给出相应的极图构造。最后，指出并补正［４］中一个计数结果的不足。     

Energetics of rotation and translation in hexagonal aggregates of extended chains

Potential energy calculations have been made for hexane aggregates in the hexagonal arrangement as models of paraffin-like solids. As a part of the general energy hypersurface the feasibility of translation and rotation of extended chains in aggregate has been examined for various degrees of packing. The pure translation is favoured over the pure rotation at all interchain separations. The energy map of coupled rotation-translation motion has been developed for the intermediate degree of packing. The energy minima on the map correspond to the parallel orientation of chain backbones and are presumed to represent the prevailing short-range structure of the rotator phase in n-alkane crystals. The calculated barriers are used for the rationalization of chain dynamics in the rotator phase, and in the disorded phases with the similar alkyl chain packing as found in crystals, monolayers and bilayers of amphiphiles. Probability of formations of the translational, rotational and conformational defects in the above systems is discussed.     

13C spin-lattice relaxation in natural diamond: Zeeman relaxation in fields of 500 to 5000 G at 300 K due to fixed paramagnetic nitrogen defects

¹³C Spin–lattice relaxation (SLR) times in the laboratory frame have been measured at room temperature as a function of field in the range of 500 to 5000 G on two natural type Ib and Ia diamonds after dynamic nuclear polarization. Each of the diamonds contains two types of fixed paramagnetic centers with overlapping inhomogeneous electron paramagnetic resonance (EPR) lines. EPR techniques have been employed to identify these defects and to determine their concentrations and relaxation times at X-band. Three different nuclear SLR paths, namely that due to electron SLR and two types of three spin processes, are discussed. The one three-spin process (TSP) (type 1) involves a simultaneous transition of two electron spins belonging to the same hyperfine EPR line and a ¹³C spin while the other process (type 2) involves two electron spins belonging to different hyperfine EPR lines and a ¹³C spin. It is shown that the thermal contact between the ¹³C nuclear Zeeman and electron dipole–dipole interaction reservoirs decreases with an increase in field intensity, thus forming a bottleneck in the ¹³C relaxation path due to the type 1 TSP. The contribution of TSP of type 1 dominates that due to electron SLR and the type 2 TSP in relaxing the ¹³C nuclei in type Ib diamond from about 1200 to 5000 G, while for type Ia diamond it dominates from 500 up to about 2200 G. In type Ia diamond over the range 2200 to 5000 G it seems that the type 2 TSP, which involves electrons of neighboring P2 hyperfine lines, dominates that of electron spin–lattice and the type 1 TSP. Over the range 500 to about 1200 G, a field-dependent electron SLR mechanism associated with N3 centers appears to dominate the ¹³C SLR.