Grain boundary,triple junction and quadruple point mobility controlled normal grain growth

Reduction in stored free energy provides the thermodynamic driving force for grain and bubble growth in polycrystals and foams. Evolution of polycrystalline networks exhibit the additional complication that grain growth may be controlled by several kinetic mechanisms through which the decrease in network energy occurs. Polyhedral boundaries, triple junctions (TJs), and quadruple points (QPs) are the geometrically distinct elements of three dimensional networks that follow Plateau’s rules, provided that grain growth is limited by diffusion through, and motion of, cell boundaries. Shvindlerman and co-workers have long recognized the kinetic influences on polycrystalline grain growth of network TJs and QPs. Moreover, the emergence of interesting polycrystalline nanomaterials underscored that TJs can indeed influence grain growth kinetics. Currently there exist few detailed studies concerned either with network distributions of grain size, number of faces per grain, or with ‘grain trajectories’, when grain growth is limited by the motion of its TJs or QPs. By contrast there exist abundant studies of classical grain growth limited by boundary mobility. This study is focused on a topological/geometrical representation of polycrystals to obtain statistical predictions of the grain size and face number distributions, as well as growth ‘trajectories’ during steady-state grain growth. Three limits to grain growth are considered, with grain growth kinetics controlled by boundary, TJ, and QP mobilities.     

On the strength of hydrogen bonding within water clusters on the coordination limit

Hydrogen bonds (HB) are arguably the most important noncovalent interactions in chemistry. We study herein how differences in connectivity alter the strength of HBs within water clusters of different sizes. We used for this purpose the interacting quantum atoms energy partition, which allows for the quantification of HB formation energies within a molecular cluster. We could expand our previously reported hierarchy of HB strength in these systems (Phys. Chem. Chem. Phys., 2016, 18 , 19557) to include tetracoordinated monomers. Surprisingly, the HBs between tetracoordinated water molecules are not the strongest HBs despite the widespread occurrence of these motifs (e.g., in ice I_h). The strongest HBs within H₂O clusters involve tricoordinated monomers. Nonetheless, HB tetracoordination is preferred in large water clusters because (a) it reduces HB anticooperativity associated with double HB donors and acceptors and (b) it results in a larger number of favorable interactions in the system. Finally, we also discuss (a) the importance of exchange-correlation to discriminate among the different examined types of HBs within H₂O clusters, (b) the use of the above-mentioned scale to quickly assess the relative stability of different isomers of a given water cluster, and (c) how the findings of this research can be exploited to indagate about the formation of polymorphs in crystallography. Overall, we expect that this investigation will provide valuable insights into the subtle interplay of tri- and tetracoordination in HB donors and acceptors as well as the ensuing interaction energies within H₂O clusters.     

PALB2 as a potential prognostic biomarker for colorectal cancer

Partner and localizer of BRCA2 (PALB2) is regarded as a colorectal cancer (CRC) risk gene, but the prognostic implication of PALB2 in CRC remains unclear. In this study, we evaluate the prognostic value of the gene copy number alteration (CNA) and mRNA expression of PALB2 in The Cancer Genome Atlas (TCGA) database, and then validated with our database. We downloaded the copy number and mRNA data of PALB2 from TCGA database and examined the relationship among the genetic alterations, expression levels and survival outcomes. Gene ontology (GO) analysis was performed to study the function of PALB2. cBioPortal database was used to explore the potential co-expression genes of PALB2. There were 6.3% (37 of 582) CRC patients diagnosed as PALB2 gene deletion. The PALB2 deletion group expressed significantly lower of PALB2 mRNA than the non-deletion group (P < 0.001). Survival analysis showed that PALB2 deletion was significantly associated with shorter disease-free survival (DFS) (P = 0.026) and overall survival (OS) (P = 0.028). Low mRNA expression of PALB2 correlated with shorter OS (P < 0.001). Multivariate analysis also confirmed that PALB2 deletion and low mRNA expression of PALB2 were independent prognostic factors of poor OS in CRC (P = 0.019, 0.034, respectively). In validation cohort, negative expression of PALB2 was associated with shorter OS (P = 0.006) in stage I patients. Multivariate analysis confirmed that negative expression of PALB2 was a poor-prognostic factor (P = 0.002). GO analysis and co-expression analysis investigated that PALB2 is primarily involved in the DNA repair process. These results suggest that PALB2 gene copy number deletion and low mRNA expression could be novel prognostic biomarkers for CRC.     

超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

股本稀释效应下的认股权证定价模型与数值方法

本文研究了在股本稀释效应下认股权证的定价问题.假设随机利率服从Vasicek模型,利用Δ-对冲方法建立了权证价格所满足的偏微分方程.然后,通过计价单位变换,将偏微分方程降维,求得了权证价格的显式解,并给出了一种较好的数值计算方法,可运用市场的可观测变量来计算权证价值.     

微钢管内部强迫对流换热的实验研究

本文对以蒸馏水为工质,流过内径和外径分别为168μm、406μm和399μm、798μm的电加热不锈钢管时的换热进行了实验研究。通过对微钢管直接通电进行加热,并采用红外成像仪及专用放大镜头的非接触式方法,获得了各种恒定加热功率及不同雷诺数下的微钢管壁面的温度场分布,进而得到较为精确的壁面平均温度。由此计算了在层流态下的换热系数Nu数。实验结果表明,在层流下,内径为168μm及399μm的微钢管内部的Nu数分别比经典的Hansen准则式所得到的Nu数高出很多。     

时变偏微分方程的贝叶斯稀疏识别方法

在数据驱动的建模中,通过测量或模拟得到时空数据,我们发现基于拉普拉斯先验的贝叶斯稀疏识别方法能有效地恢复时变偏微分方程的稀疏系数.本文将贝叶斯稀疏识别方法运用于各种时变偏微分方程模型(KdV方程、Burgers方程、Kuramoto-Sivashinsky方程、反应-扩散方程、非线性薛定谔方程和纳维-斯托克斯方程)的方...     

高雷诺数下非混相Rayleigh-Taylor不稳定性的格子Boltzmann方法模拟

本文采用相场格子Boltzmann方法研究了竖直微通道内中等Atwoods数流体的单模Rayleigh-Taylor不稳定性问题,系统分析了雷诺数对相界面动力学行为以及扰动在各发展阶段演化规律的影响.数值结果表明高雷诺数条件下,不稳定性界面扰动的增长经历了四个不同的发展阶段,包括线性增长阶段、饱和速度阶段、重加速阶段及混沌混合阶段.在线性增长阶段,我们计算获得的气泡与尖钉振幅符合线性稳定性理论,并且线性增长率随着雷诺数的增加而增大.在第二个阶段,我们观察到气泡与尖钉将以恒定的速度增长,获得的尖钉饱和速度略高于Goncharov经典势能模型的解析解[Phys.Rev.Lett.200288134502],这归因于系统中产生了多个尺度的旋涡,而涡之间的相互作用促进了尖钉的增长.随着横向速度和纵向速度的差异扩大,气泡和尖钉界面演化诱导产生的Kelvin–Helmholtz不稳定性逐渐增强,从而流体混合区域出现许多不同层次的涡结构,加速了气泡与尖钉振幅的演化速度,并在演化后期阶段,导致界面发生多层次卷起、剧烈变形、混沌破裂等行为,最终形成了非常复杂的拓扑结构.此外,我们还统计了演化后期气泡与尖钉的无量纲加速度,发现气泡和尖钉的振幅在后期呈现二次增长规律,其增长率系数分别为0.045与0.233.而在低雷诺条件下,重流体在不稳定性后期以尖钉的形式向下运动而轻流体以气泡的形式向上升起.在整个演化过程中,界面变得足够光滑,气泡与尖钉在后期的演化速度接近于常数,未观察到后期的重加速与混沌混合阶段.     

Analytical and approximate solutions of(2+1)-dimensional time-fractional Burgers-Kadomtsev-Petviashvili equation

In this paper, we applied the sub-equation method to obtain a new exact solution set for the extended version of the time-fractional Kadomtsev-Petviashvili equation, namely BurgersKadomtsev-Petviashvili equation(Burgers-K-P) that arises in shallow water waves.Furthermore, using the residual power series method(RPSM), approximate solutions of the equation were obtained with the help of the Mathematica symbolic computation package. We also presented a few graphical illustrations for some surfaces. The fractional derivatives were considered in the conformable sense. All of the obtained solutions were replaced back in the governing equation to check and ensure the reliability of the method. The numerical outcomes confirmed that both methods are simple, robust and effective to achieve exact and approximate solutions of nonlinear fractional differential equations.     

安培环路定理的拓扑学描述

近年来拓扑学在量子力学中得到了广泛的运用.本文将安培环路定理积分式重新表达为一矢量场在轮胎参数面上的第一类陈数积分.数值模拟展示了该积分值为一整数即第一陈数,其代表矢量场的整体性质:当经历连续变换时,矢量场的局部数值发生改变但整体积分值即陈数仍保持不变;若陈数发生改变,则表明矢量场变换的连续性条件发生破坏,矢量场出现奇点.进一步通过高斯映射将该矢量场从参数轮胎面映射到单位球面上,并给出了第一陈数的直观几何意义.理论和数值结果揭示了安培环路定理的拓扑学本质,表明拓扑概念在经典物理学中也会有广泛应用.