Diagonal reflection symmetries and universal four-zero texture

In this paper,we consider a set of new symmetries in the SM:diagonal reflection symmetries Rm_u,v^*,R=m_u,v,m_d,e^*=mde with R=diag(-1,1,1).These generalized CP symmetries predict the Majorana phases to beα_2.3/2-0π/2.Realization of diagonal reflection symmetries implies a broken chiral U(1)po symmetry only for the first generation.The axion scale is suggested to be(θ_u,d)~△GuT√m_{u,dm_(c,s})/v-10¹²[GeV].By combining the symmetries with the four-zero texture,the mass eigenvalues and mixing matrices of quarks and leptons are reproduced well.This scheme predicts the normal hierarchy,the Dirac phase ocp≈203°,and|ml|≈2.5 or 6.2[meV].In this scheme,the type-I seesaw mechanism and a given neutrino Yukawa matrix Y_ycompletely determine the structure of the right-handed neutrino mass M_R.A u-y unification predicts the mass eigenvalues to be(M_RI,M_R2,M_R3)=(O(10⁵).O(10⁹),O(10¹⁴)[Gev].     

JACOB: An enterprise framework for computational chemistry

Here, we present just a collection of beans (JACOB): an integrated batch‐based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user‐specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application‐programming interface provides a set of generic tools for processing large‐scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at: www.wallerlab.org/jacob . © 2013 Wiley Periodicals, Inc.     

抗癌新药德氮吡格及其衍生物的定量构效关系

按氢分类的分子电性距离矢量（Hydrogen-association classified molecular electronegafivity-distance vector,H-MEDV）是由4种类型原子间的相互作用得到的一种描述分子二维结构的拓扑描述子.本文根据H-MEDV来研究创新构型抗肿瘤药物德氮吡格（TNBG）及其衍生物活性与其结构之间的关系,利用多元线性回归和逐步回归,建立的4变量模型的相关系数R=0.862.对筛选后建立的模型用留一法交互检验的结果为Rcv=0.713,结果表明模型具有较好的预测能力和稳定性.     

Finite size effect on the Raman frequency of phonons in nano-semiconductors

A comprehensive study on Raman spectroscopy with different excitation wavelengths, sample sizes, and sample shapes for optic phonons (OPs) and acoustic phonons (APs) in polar and non-polar nano-semiconductors has been performed. The study affirms that the finite size effect does not appear in the OPs of polar nano-semiconductors, while it exists in all other types of phonons. The absence of the FSE is confirmed to originate from the long-range Fr¨ohlich interaction and the breaking of translation symmetry. The result indicates that the Raman spectra of OPs cannot be used as a method to characterize the scale and crystalline property of polar nano-semiconductors.     

Shape Sensitivity Analysis and Optimization Using NASTRAN∗

Abstract

Major software improvements have been made by the developers of NASTRAN in the area of structural optimization. Grid point sensitivity is available in version 67. This paper tests this capability by comparison with analytical solutions. Suggestions for further improvements are identified as well as recommendations for its use. The new capability has been integrated into an optimization system for component design. Several examples, including a cantilever beam, a simplified engine connecting rod, a cantilever plate, and an upper suspension control arm, are analyzed and optimized using this system.