Imposing accurate wall boundary conditions in corrective‐matrix‐based moving particle semi‐implicit method for free surface flow

Corrective matrix that is derived to restore consistency of discretization schemes can significantly enhance accuracy for the inside particles in the Moving Particle Semi‐implicit method. In this situation, the error due to free surface and wall boundaries becomes dominant. Based on the recent study on Neumann boundary condition (Matsunaga et al, CMAME, 2020), the corrective matrix schemes in MPS are generalized to straightforwardly and accurately impose Neumann boundary condition. However, the new schemes can still easily trigger instability at free surface because of the biased error caused by the incomplete/biased neighbor support. Therefore, the existing stable schemes based on virtual particles and conservative gradient models are applied to free surface and nearby particles to produce a stable transitional layer at free surface. The new corrective matrix schemes are only applied to the particles under the stable transitional layer for improving the wall boundary conditions. Three numerical examples of free surface flows demonstrate that the proposed method can help to reduce the pressure/velocity fluctuations and hence enhance accuracy further.     

体积应变对立方钛酸铅电子结构和光学性质的影响

本文利用第一性原理方法计算并分析了体积应变(-11%~11%)对立方顺电相PbTiO₃的结构、稳定性、电子结构和光学性质的影响。研究发现体积应变后PbTiO₃形成焓增大,稳定性下降,其中压应变对其稳定性的影响比拉应变大。当受到拉伸应变时,立方PbTiO₃由直接带隙半导体变为间接带隙半导体,且带隙随应变增大呈先增大后降低的趋势。在发生压应变时,从复介电函数、复折射率及吸收系数的分析结果可知,在自然光照下PbTiO₃的光吸收能力仅在个别波段有所增大,但总体呈减弱趋势,当产生拉伸应变时,介电峰、吸收峰红移,表明PbTiO₃在可见光范围内光吸收能力增强,并且当应变增大到11%时,PbTiO₃的吸收能力远高于本征立方相。     

Energy band modulation of GaAs/Al0.26Ga0.74As quantum well in 3D self-assembled nanomembranes

In this study, we investigate the modulation of energy band in 3D self-assembled nanomembranes containing GaAs/Al_0.26Ga_0.74As quantum wells (QWs). Photoluminescence (PL) characterizations demonstrate that the self-assembled structures have different optical transition properties and the modulation of the energy band is thus realized. Detailed spectral analyses disclose that the small strain change in structures with different curvatures cannot cause remarkable change in energy bands in Al_0.26Ga_0.74As layer. On the other hand, the optical transitions of GaAs QW layer is influenced by the strain evolution in term of light emission intensity. We also find the first order Stark effect in rolled-up nanomembrane with diameter of 150 μm, which is closely connected with the coupling effect between the deformation potential and the piezoelectric potential. Our work may pave a way for the fabrication of high performance rolled-QW infrared photo-detectors.     

Structural and phase characteristics of the diamond/matrix interfacial zone in high-resistant diamond composites

The structural-phase state of the contact zone and the factors that influence on the strength of diamond retention in the diamond carbide composites were determined. Composites were obtained by the new hybrid technology that eliminates the reheating of the metalized coating. The elaborated technology combines the thermal diffusion metallization of a diamond and the sintering by the scheme of self-dosed impregnation in a one-stage technological cycle. By the methods of electron microscopy, X-ray diffraction analysis, and Raman spectroscopy the structural and phase characteristics of the interphase boundary were investigated. The improvement of chemical and mechanical adhesion between the diamond and carbide matrix was obtained. It was shown that the specific productivity of the samples with a metalized diamond component is 39% higher than those without metallization.     

求解矩阵方程AXB+CXD=F参数迭代法的最优参数分析

本文针对求矩阵方程AXB+CXD=F唯一解的参数迭代法，分析当矩阵A，B，C，D均是Hermite正（负）定矩阵时，迭代矩阵的特征值表达式，给出了最优参数的确定方法，并提出了相应的加速算法.     

单晶金刚石p型和n型掺杂的研究

超宽禁带半导体材料金刚石在热导率、载流子迁移率和击穿场强等方面表现出优异的性质,在功率电子学领域具有广阔的应用前景。实现p型和n型导电是制备金刚石半导体器件的基础要求,其中p型金刚石的发展较为成熟,主流的掺杂元素是硼,但在高掺杂时存在空穴迁移率迅速下降的问题;n型金刚石目前主流的掺杂元素是磷,还存在杂质能级深、电离能较大的问题,以及掺杂之后金刚石晶体中的缺陷造成载流子浓度和迁移率都比较低,电阻率难以达到器件的要求。因此制备高质量的p型和n型金刚石成为研究者关注的焦点。本文主要介绍金刚石独特的物理性质,概述化学气相沉积法和离子注入法实现金刚石掺杂的基本原理和参数指标,进而回顾两种方法进行单晶金刚石薄膜p型和n型掺杂的研究进展,系统总结了其面临的问题并对未来方向进行了展望。