Describing metal surfaces and nanostructures with orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) can be made to scale linearly with sample size, allowing thousands of atoms to be treated explicitly with quantum mechanics. State-of-the-art kinetic energy density functionals and ion–electron pseudopotentials are used to obtain accurate structural property predictions for nanoparticles, nanowires, extended surfaces, and nanoindentation of simple metals.     

Analytic methods for modeling longitudinal data from rolling therapy groups with membership turnover.

Interventions for a variety of emotional and behavioral problems are commonly delivered in the context of treatment groups, with many using rolling admission to sustain membership (i.e., admission, dropout, and discharge from group are perpetual and ongoing). The authors present an overview of the analytic challenges inherent in rolling group data and outline commonly used (but flawed) analytic and design approaches to addressing (or sidestepping) these issues. Moreover, the authors propose use of latent class pattern mixture models (LCPMMs) as a statistically and conceptually defensible approach for modeling treatment data from rolling groups. The LCPMM approach is illustrated with rolling group data from a group-based alcoholism pilot treatment trial (N = 128). Different inferences were made with regard to treatment efficacy under LCPMM vs. the commonly used standard group-clustered latent growth model (LGM); coupled with other preliminary findings in this area, inferences from LGMs may be overly liberal when applied to data from rolling groups. Continued work on data analytic difficulties in groups with membership turnover is critical for furthering the ecological validity of research on behavioral treatments. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Space-time block codes which can be identified as rings

In this paper, we give a general criterion to determine when a complex space-time block code has a ring structure and then we provide a complete list of complex space-time block codes which have ring structures up to size 4.     

Embracing transformational leadership: Team values and the impact of leader behavior on team performance.

The authors investigated the relationship between transformational leadership behavior and group performance in 218 financial services teams that were branches of a bank in Hong Kong and the United States. Transformational leadership influenced team performance through the mediating effect of team potency. The effect of transformational leadership on team potency was moderated by team power distance and team collectivism, such that higher power distance teams and more collectivistic teams exhibited stronger positive effects of transformational leadership on team potency. The model was supported by data in both Hong Kong and the United States, which suggests a convergence in how teams function in the East and West and highlights the importance of team values. (PsycINFO Database Record (c) 2011 APA, all rights reserved)     

Category Norms as a Function of Culture and Age: Comparisons of Item Responses to 105 Categories by American and Chinese Adults.

Understanding how aging influences cognition across different cultures has been hindered by a lack of standardized, cross-referenced verbal stimuli. This study introduces a database of such item-level stimuli for both younger and older adults, in China and the United States, and makes 3 distinct contributions. First, the authors specify which item categories generalize across age and/or cultural groups, rigorously quantifying differences among them. Second, they introduce novel, powerful methods to measure between-group differences in freely generated ranked data, the rank-ordered logit model and Hellinger Affinity. Finally, a broad archive of tested, cross-linguistic stimuli is now freely available to researchers: data, similarity measures, and all stimulus materials for 105 categories and 4 culture-by-age groups, comprising over 10,000 fully translated unique item responses. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

广义分散控制系统有穷固定模的判别

本文研究了广义分散控制系统有穷固定模的判别问题，给出了一个确定有穷固定模的新算法，这种算法适用于任意的反馈结构。     

用基团贡献法预测纯物质蒸气压

对应状态原理与基团贡献法结合，提出一个新的蒸气压估算方程（ＲＬＹＭ）。通过对烷烃、烯烃、炔烃、环烷烃、环烯烃、醇、环醇、酮、醚、芳烃、酚、萘在内的１７４种有机物质蒸气压实验数据的关联，获得了３０种基团的贡献参数值。新模型的预测精度优于现有的对应状态法，并且对高碳分子仍有较好的估算精度。总的关联误差小于１．１７％。     

Synthesis and characterization of novel copolymers with the trimethylsilyl group for deep‐UV photoresists

N‐(4‐Acetoxyphenyl) maleimide (APMI) and three kinds of comonomers bearing a trimethylsilyl group were copolymerized at 60°C in the presence of azobisisobutyronitrile (AIBN) as an initiator in 1,4‐dioxane to obtain the three IP, IIP, and IIIP copolymers. These copolymers were removed from the acetoxy group in a transesterification process into new IVP, VP, and VIP copolymers with a pendant hydroxyl group. Two modified processes were adopted to prepare photoresists using these copolymers. The first process involved mixing the dissolution inhibitor, o‐nitrobenzyl cholate, with the new copolymers. Second, o‐nitrobenzyl cholate was introduced into the copolymers using 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) in dimethylformamide (DMF). The cyclic maleimide structure is responsible for the high thermal stability of these copolymers. After irradiation using deep–UV light and development with aqueous Na₂CO₃ (0.01 wt %), the developed patterns showed positive images and exhibited good adhesion to the silicon wafer without using any adhesion promoter. The resolution of these resists was at least 0.8 μm and an oxygen‐plasma etching rate was 1/5.3 to that of hard‐baked HPR‐204. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 83: 2791–2798, 2002; DOI 10.1002/app.10255     

Algebraic properties of cryptosystem PGM

In the late 1970s Magliveras invented a private-key cryptographic system calledPermutation Group Mappings (PGM). PGM is based on the prolific existence of certain kinds of factorization sets, calledlogarithmic signatures, for finite permutation groups. PGM is an endomorphic system with message space ℤ_|G| for a given finite permutation groupG. In this paper we prove several algebraic properties of PGM. We show that the set of PGM transformations ℐ _G is not closed under functional composition and hence not a group. This set is 2-transitive on ℤ_|G| if the underlying groupG is not hamiltonian and not abelian. Moreover, if the order ofG is not a power of 2, then the set of transformations contains an odd permutation. An important consequence of these results is that the group generated by the set of transformations is nearly always the symmetric group ℒ_|G|. Thus, allowing multiple encryption, any permutation of the message space is attainable. This property is one of the strongest security conditions that can be offered by a private-key encryption system. S. S. Magliveras was supported in part by NSF/NSA Grant Number MDA904-82-H0001, by U.S. West Communications, and by the Center for Communication and Information Science of the University of Nebraska.     

优化技术在水库群联合调度中的应用研究

基于浙江省优质水资源相对短缺的现实，提出了开展水库（群）优化调度的基本思路，在分析水库群不同联结方式特点的基础上，提出水库群联合优化调度的技术方法，实例验证表明，该方法增加供水量12％，科学可行。