基于接触数引导的迭代多组独立分子动力学模拟实现配体-蛋白质结合与解离过程

配体的结合与解离过程在蛋白质实现其生物学功能方面非常关键,因此对这些高度动态过程的研究变得非常重要. 尽管已有实验方法可以确定蛋白质-配体复合物的三维结构,但一般仅可获得静态图片. 随着计算机算力的快速提高以及算法的优化,分子动力学模拟在探索配体的结合与解离过程方面具有诸多优势. 然而,当系统变得足够大时,分子动力学模拟的时间和空间尺度成为了巨大的挑战. 本工作提出了一种研究配体-蛋白质结合与解离的增强采样工具,它基于配体和蛋白质之间形成的接触数来引导迭代多组独立分子动力学模拟. 在腺苷酸激酶的模拟结果中,观测到配体的结合和解离过程,而使用传统分子动力学模拟在同一时间尺度下则无法实现这一过程.     

核子-核子短程关联对x>1区域原子核结构函数的影响

利用Jastrow关联波函数,重新讨论了核子-核子短程关联对原子核结构函数的作用,发现在选用正确的单粒子能量和包括核子间短程对关联效应在内的核子动量密度分布以后,并不能解释原子核结果函数在x>1区域的实验数据.     

888 nm LD抽运Nd∶YVO4被动锁模皮秒振荡器

报道了基于888 nm半导体抽运Nd∶YVO4晶体连续被动锁模的皮秒振荡器。通过热激发抽运方式改善激光器的热性能,提高锁模振荡器输出的平均功率与单脉冲能量。利用半导体可饱和吸收体(SESAM)实现激光器锁模运转的启动与维持。在抽运功率为60 W时,获得最大输出功率为15 W,重复频率为53 MHz的皮秒脉冲输出,光-光转换效率为24%。在输出功率为15 W时脉冲宽度为45 ps。     

Effect of Reactor Pressure on Qualities of GaN Layers Grown by Hydride Vapour Phase Epitaxy

The influence of reactor pressure on GaN layers grown by hydride vapour phase epitaxy （HVPE） is investigated. By decreasing the reactor pressure from0. 7 to 0.5 mm, the GaN layer growth mode changes from the island-like one to the step flow. The improvements in structural and optical properties and surface morphology of GaN layers are observed in the step flow growth mode. The results clearly indicate that the reactor pressure, similarly to the growth temperature, is One of the important parameters to influence the qualities of GaN epilayers grown by HVPE, due to the change of growth mode.     

Theoretical Analysis of Interference Nanolithography of Surface Plasmon Polaritons without a Match Layer

Interference nanolithography techniques based on long-range surface plasmon polaritons （LR-SPP） are hardly ever achieved by experiments at present. One key reason is that suitable liquid materials are difflcult to find as the match layer connects the metal film and the resist. We redesign a Kretschmann-Raether structure for interference lithography. A polymer layer is coated under the metal film, and an air layer is placed between the polymer layer and the resist layer. This design not only avoids the above-mentioned question of the match layer, but also can form a soft contact between the polymer layer and the resist layer and can protect the exposure pattern. Simulation results confirm that a device with an appropriately thick polymer layer can form high intensity and contrast interference fringes with a critical dimension of about λ/7 in the resist. In addition, the fabrication of the device is very easy.     

Effect of double AlN buffer layer on the qualities of GaN films grown by radio-frequency molecular beam epitaxy

This paper reports that the GaN thin films with Ga-polarity and high quality were grown by radio-frequency molecular beam epitaxy on sapphire （0001） substrate with a double A1N buffer layer. The buffer layer consists of a high-temperature （HT） A1N layer and a low-temperature （LT） A1N layer grown at 800℃ and 600℃, respectively. It is demonstrated that the HT-A1N layer can result in the growth of GaN epilayer in Ga-polarity and the LT-A1N layer is helpful for the improvement of the epilayer quality. It is observed that the carrier mobility of the GaN epilayer increases from 458 to 858cm^2/V.s at room temperature when the thickness of LT-A1N layer varies from 0 to 20nm. The full width at half maximum of x-ray rocking curves also demonstrates a substantial improvement in the quality of GaN epilavers by the utilization of LT-A1N layer.     

Co(1,10-phen·)32+-KIO4-鲁米诺化学发光体系与应用

本文研究了Co(1,10-phen·)32+配合物对KIO4氧化鲁米诺所产生的强化学发光反应.以1,10-phen·为配位体时,Co(Ⅱ)的检出限为8×10-8g/L,工作曲线响应浓度范围在1×10-6~1×10-4g/L,测定1×10-4g/LCo(Ⅱ)离子的相对标准偏差为2.5%.配合物化学发光法检测啤酒、维生素B12针剂中微量Co(Ⅱ)可获得满意结果.     

双模最小关联混合态作为量子信道实现量子隐形传态的保真度

基于Braunstein和Kimble提出的B-K方案以双模最小关联混合态作为量子信道实施对未知量子态的隐形传送，并以传送相干态为例进行了研究.结果表明：双模最小关联混合态作为一种广义的Einstein-Podolsky-Rosen型纠缠态在实现量子隐形传态中能很好地担当量子信道的角色，在纠缠度和压缩度选择适当的条件下被传送未知量子态的保真度可以达到1.这是比双模压缩真空态更优越的量子信道. 关键词： 量子隐形传态 双模最小关联混合态 保真度     

用于白光LED的单一基质白光荧光粉Ca2SiO3Cl2:Eu2+，Mn2+的发光性质

用高温固相法合成了Eu²⁺，Mn²⁺共激活的Ca₂SiO₃Cl₂高亮度白色发光材料，并对其发光性质进行了研究. 该荧光粉在近紫外光激发下发出强的白色荧光，Eu^{2+中心形成峰值为419 nm和498 nm的特征宽带，通过Eu2+中心向Mn2+中心的能量传递导致了峰值为578 nm的发射，三个谱带叠加从而在单一基质中得到了白光. 激发光谱均分布在250—415 nm的波长范围，红绿蓝三个发射带的激发谱峰值分别位于385 nm，412 nm，370 nm和396 nm处，可以被InGaN管芯产生的紫外辐射有效激发. Ca₂SiO₃Cl₂:Eu2+，Mn2+是一种很有前途的单一基质白光LED荧光粉.}     

双模最小关联混态的量子统计性质

研究了双模最小关联混态在不同参数情况下的量子统计性质.发现在一定的参数范围内双模最小关联混态的二阶相干性违反经典的Cauchy-Schwartz不等式,呈现非经典性相关;同时对双模最小关联混态的压缩特性、亚泊松分布等非经典性质进行了分析,通过数值计算得出,每模光子的压缩性及其亚泊松分布均与参数d的取值密切相关.