单晶硅薄膜法向热导率分子动力学研究

采用非平衡分子动力学方法（NEMD）研究了平均温度为 500K、厚度为 2～32nm的单晶硅薄膜的法向热导率。模拟结果表明,薄膜热导率显著低于对应温度下的体硅单晶的实验值,并随膜厚度减小以接近线性的规律减小。用声子气动力论模型的分析结果与NEMD模拟相一致,表明纳米单晶硅薄膜中声子平均自由程显著减小。     

影响产生均匀等离子体状态的几个因素

 用数值模拟方法研究利用辐射加热来产生均匀等离子体状态,它可被用来测量元素的辐射不透明度,校验辐射不透明度理论。研究了在辐射加热铁的“三明治”型靶时影响生成均匀等离子体状态的几个重要因素（样品厚度、CH膜厚度和辐射源）所起的作用，研究发现，当铁等离子体通过热传导达到均匀状态时，其尺度必须与此时的传热距离相当，从而定出铁样品的厚度；低Z介质CH膜对铁等离子体有明显的箍束作用，调整CH膜的厚度可以调节所产生的等离子体状态；调整不同方向上的CH膜厚度，可以控制铁等离子体的膨胀方向，使它尽可能地达到一维膨胀，使得反推出的等离子体密度可以更加准确；样品的种类、厚度以及外面的低Z介质厚度决定了在某时刻能获得的等离子体状态，以及为产生此等离子体状态所需的最低辐射能。     

非线性光学及其若干新进展

扼要介绍了非线性光学的基本概念及其最近10年来在飞秒激光，半导体材料，光纤通信和光信息存储等若干方面的研究进展。     

Thickness and stacking geometry effects on high frequency overtone and combination Raman modes of graphene

We investigate two high frequency Raman overtone and combination modes of graphene named 2D' and 2D + G bands, and located at ~3240 and ~ 4260 cm^–1, respectively. The graphene thickness and stacking geometry effects for these two modes are systematically studied. The features of the 2D' band, which arises from intravalley double resonance, are not sensitive to the variation of thickness with single Lorentzian peak and fixed linewidth. We explain it theoretically by calculating the phonon dispersion mode in k‐space and find that the flat band region of longitudinal optical phonon near Γ point is the mechanism leading to the 2D' band nonsplit. With the thickness increasing, the band position exhibits blueshift and the linewidth increases for the 2D + G band. With changing thickness and stacking geometry of graphene, the intensities of these two high‐frequency bands show obvious different evolution compared with that of G band. Copyright © 2012 John Wiley & Sons, Ltd.     

CTRW模型等待时间分布的随机抽样方法

研究等待时间分布为截断幂律分布的连续时间随机行走(CTRW)模型,分析比较截断幂律分布的可能随机抽样方法,并提出一套可以对其进行精确抽样的乘分布舍选算法.数值结果表明:当幂律指数α > 0.2时,该算法的抽样效率在80%以上.利用该算法可以成功得出CTRW模型描述的三种反常输运过程的标度关系.     

1,8-二羟基-3-甲基-苯并［d,e］蒽酮的2D NMR研究

从中药芦荟(Aloe vera)中分离得到一个蒽酮类新化合物. 通过UV、IR、HREI-M S、¹H NMR和¹³C NMR及2D NMR(¹H-¹H COSY、HMBC、HMQC和J -resolved)方法， 鉴定其结构为：1,8- 二羟基-3-甲基-苯并［d,e］蒽酮. 文章的侧重点在于讨论该化合物的¹H和¹³C NMR信号的全归属.     

自由边界双原子链的晶格振动

指出双原子的晶格振动分为声学支和光学支是由于采用循环边界条件所造成的结果，若采用自由边界条件，则模花样和振动频谱完全不同，这时只能分为低频支，中频支和高频支。     

Evolution of microstructure and dielectric properties of (LiCe)-doped Na0.5Bi2.5Nb2O9 Aurivillius type ceramics

Aurivillius type (NaBi)_0.5?x(LiCe)_xBi₂Nb₂O₉ ceramics were prepared by the standard ceramics route. The single crystal structural ceramics were achieved for all compositions and lattice distortion was decreased by (LiCe) dopants. The temperature dependent dielectric properties revealed that all compositions possess a high Curie-temperature (>780 °C). A modified Curie–Weiss relationship is used to study the diffuseness behavior of a ferroelectric phase transition indicating the degree of diffuseness of NBN-based ceramics increased with (LiCe) modifications. The degradation of resistance implied a plausible model that Ce⁴⁺ ions entered into the B-site of the pseudo-perovskite structure and acted as acceptor doping. Further investigation demonstrated that both electrical conduction and dielectric relaxation processes were associated with the oxygen vacancies produced by the substitution of Nb⁵⁺ ions by the Ce⁴⁺ ions.     

大口径光学元件中频波前的检测

大口径光学元件中频波前的准确评价已成为高功率激光系统中关注的焦点,元件中频波前均方根值是重要评价指标之一。根据波前中频检测频段及波前检测设备频响特性,将波前的中频区域分为两个检测频段,分别采用干涉仪和光学轮廓仪实现了中频波前均方根值的检测。采用大口径干涉仪可实现全口径波前中频区域低频段波前的检测,通过比对大口径干涉仪和采用小口径干涉仪结合分块融合平均方法的检测结果,提出采用分块融合平均方法也可检测相应频段全口径波前均方根。采用光学轮廓仪通过离散采样的方法检测大口径元件中频区域高频段波前均方根,针对不同离散采样方式的实验结果表明：33的采样方式能满足对410 mm410 mm口径元件中频区域高频段波前均方根的检测。     

大口径连续相位板远场光强的离线测试实验

为了准确测试和评价大口径连续相位板（CPP）元件的远场光强性能,根据激光装置需求建立了351 nm波长下大口径CPP远场光强离线测试系统,开展了330 mm330 mm口径CPP元件测试实验,并与标量衍射计算结果进行对比,分析了系统的测试重复性和测试精度。实测系统远场弥散斑大小为2.9倍衍射极限,可测试最大口径为圆形f600 mm和方形430 mm430 mm。测试系统在焦点2 mm范围内的能量集中度测试重复性优于0.2 %。计算和实验焦斑形貌及分布吻合,实测能量集中度比计算结果小0.85%、焦斑半径大13 m左右,差异由实测系统的时间匀滑作用引起,可通过缩短曝光时间和减小系统像差等措施进一步提高测试精度。