Studies on a novel organic NLO single crystal: L-asparaginium oxalate

A new organic nonlinear optical (NLO) material, L-asparaginium Oxalate (ASOX) was synthesized and single crystals of ASOX with dimension (10*5*5) mm³ was grown from aqueous solution by slow evaporation solution growth technique. Single crystal XRD data reveals that ASOX belongs to triclinic crystallographic system with non-centrosymmetric space group P1. The grown organic NLO crystal was subjected to various characterizations like PXRD, FT-IR analysis, thermal studies, micro hardness test and optical studies for identifying the transparency range and the emission spectrum. The laser damage threshold value was found to be 2.04 GW/cm². The second harmonic efficiency of the grown crystal was examined using Kurtz Perry powder technique and it was found to be 68% that of KDP. Hence it can be effectively employed for various optoelectronic and photonic applications.     

Structural and electrical performance of epitaxial InP based heterojunctions prepared by liquid phase epitaxy

Thin films of InP was grown on single crystalline substrates of Si to form InP/Si heterojunctions by liquid phase epitaxy (LPE) and its morphology and crystalline characteristics were achieved. The essential electrical properties and its main parameters were extracted using the current density-voltage. The analysis was done to obtain the rectification characteristics which has its maximum value at a certain voltage of 0.7 V. Moreover, the heterojunction obeys ohmic behavior followed by quadratic space charge limited conduction at lower and higher voltage regions, respectively. The conductivity under AC bias as well as the dielectric behaviors of the heterojunction was explored in the frequency range 100 kHz–5 MHz and in the temperature range 298–623 K. The AC conductivity is interpreted by the correlated barrier hopping model via single polaron with activation energy dependent on the applied frequency. The response of the dielectric constants confirms its remarkable dependence on both frequency and temperature.     

Permutation trinomials over Fq3

We consider four classes of polynomials over the fields ${\mathbb{F}}_{q^3}$, $q=p^h$, $p>3$, $f_1(x)=x^{q^2+q-1}+A{x}^{q^2-q+1}+Bx$, $f_2(x)=x^{q^2+q-1}+A{x}^{q^3-q^2+q}+Bx$, $f_3(x)=x^{q^2+q-1}+A{x}^{q^2}-Bx$, $f_4(x)=x^{q^2+q-1}+A{x}^q-Bx$, where $A,B\in {\mathbb{F}}_q$. We find sufficient conditions on the pairs $(A,B)$ for which these polynomials permute ${\mathbb{F}}_{q^3}$ and we give lower bounds on the number of such pairs.     

激光产生温稠密物质的微观动力学过程及状态诊断

随着大型激光装置的建立和精密测量技术的发展，强激光与固体相互作用成为实验室产生温稠密物质的一个重要手段。温稠密物质的结构复杂性、瞬态性和非平衡性给理论建模和实验测量带来了巨大挑战。本文系统介绍了激光产生温稠密物质的实验手段和理论模拟方法方面的重要进展，分析了其中的电子激发动力学、电子-离子能量弛豫过程、离子动力学等物理过程，总结了温稠密物质状态诊断的实验技术和理论方法，并论述了激光产生温稠密物质的发展趋势。     

Hamilton系统下基于相位误差的精细辛算法

Hamilton系统是一类重要的动力系统，辛算法（如生成函数法、SRK法、SPRK法、多步法等）是针对Hamilton系统所设计的具有保持相空间辛结构不变或保Hamilton函数不变的算法.但是，时域上，同阶的辛算法与Runge-Kutta法具有相同的数值精度，即辛算法在计算过程中也存在相位误差，导致时域上解的数值精度不高.经过长时间计算后，计算结果在时域上也会变得“面目全非”.为了提高辛算法在时域上解的精度，将精细算法引入到辛差分格式中，提出了基于相位误差的精细辛算法（HPD-symplectic method），这种算法满足辛格式的要求，因此在离散过程中具有保Hamilton系统辛结构的优良特性.同时，由于精细化时间步长，极大地减小了辛算法的相位误差，大幅度提高了时域上解的数值精度，几乎可以达到计算机的精度，误差为O（10-13）.对于高低混频系统和刚性系统，常规的辛算法很难在较大的步长下同时实现对高低频精确仿真，精细辛算法通过精细计算时间步长，在大步长情况下，没有额外增加计算量，实现了高低混频的精确仿真.数值结果验证了此方法的有效性和可靠性.     

Cooperative effect of Fe and Ti species over Fe–Ti–Ox catalysts on the catalytic hydrolysis performance of hydrogen cyanide

FeO_x, TiO₂, and Fe–Ti–O_x catalysts were synthesized and used in the catalytic hydrolysis of hydrogen cyanide (HCN). Nearly 100% HCN conversion was achieved at 250 °C over the Fe–Ti–O_x catalyst. TiO₂ rutile was detected over TiO₂, but not over Fe–Ti–O_x, which suggested that the interaction between Fe and Ti species could inhibit the TiO₂ phase transition. Furthermore, the interaction between Fe and Ti species over Fe–Ti–O_x could promote the selectivity of NH₃ and CO. The mechanism of hydrolysis of HCN over FeO_x, TiO₂, and Fe–Ti–O_x can be given as follows: HCN + H₂O → methanamide → ammonium formate → formic acid → H₂O + CO.     

Copper quinolate: A simple and efficient catalytic complex for coupling reactions

We describe an effective and novel method to prepare N-aryl imidazoles via the copper quinolate-catalyzed N-arylation of aryl halides and imidazoles. A wide range of products were obtained in moderate to excellent yields under the optimal reaction conditions. Applying standard conditions, the model reaction could be performed on a gram scale. This method also presents a new avenue to the “click” reaction of terminal alkynes, benzyl bromide, and sodium azide and to the construction of C–C bonds by homocoupling of phenylboronic acid or phenylacetylene derivatives with the aid of copper quinolate.