First-principles study on the electronic structures of iron phthalocyanine monolayer

The electronic band structure and magnetic properties of iron phthalocyanine (FePc) monolayer were investigated by using the first-principles all-electron full-potential linearized augmented plane wave energy band method. It is found that the ferromagnetic FePc monolayer is energetically more stable than the paramagnetic one. The exchange interaction, which splits the majority and minority bands, influences strongly on the electronic structure near the Fermi level (E_F). Magnetic moment of the central Fe atom is calculated to 1.95 μ_B. The range of the positive polarization of Fe site is larger in the out-of-plane than in the in-plane direction. The FePc ligand remains paramagnetic. The presence of states at E_F indicates the metallic character of FePc monolayer both for the paramagnetic and ferromagnetic states. However, the large density of states at E_F of the majority spins in the ferromagnetic state is expected to cause a phase transition to insulating antiferromagnetic state from the metallic ferromagnetic one.     

Kinetics of residual gas adsorption on Ge(1 1 1) surface in low-energy electron backscattering

Low-energy (0.4-1.2 eV) electron backscattering is applied for the investigation of kinetics of residual gas adsorption effect on the concentration and energy positions of surface electron states of Ge(1 1 1) surface. Chemosorption of residual gas molecules on Ge(1 1 1) at P ∼ 10⁻⁷ Pa and room temperature is shown to be most active during the first 48 h. Low concentration of dangling valence bonds on the reconstructed Ge(1 1 1) (2 × 8) surface is shown to determine its low activity to chemosorption.     

Designing information structures for quadratic decision problems

This paper investigates the problem of unconstrained optimization when there is only partial information on the random parameters in the objective function. The relation between the optimization performance and the available information is established. The best information structure design with fixed rank is described. The designing procedure is set up in such a way that successive information augmentation or deletion can be considered. The procedure can also be extended to multiperson decision problems.     

Information exchange between independent stochastic systems

We considerN independent, linear, Gaussian stochastic systems, each controlled by a decision maker having independent measurements on his own system. The decision makers agree to cooperate in order to minimize a weighted sum of their own independent quadratic performance indices. For this, they may or may not exchange their measurements on line. If further constraints (such as the restriction to memoryless feedbacks) are imposed, an example shows that the best solution is not always decentralized; that is, exchanging information really improves the overall performance. Moreover, some properties of the best decentralized feedbacks are investigated; they are local minima in a more general class and even absolute minima in particular situations.This research was supported by CNRS, France, Contract No. ATP-2340. The topic of this paper was presented at a Symposium on Management Science, Optimization of Dynamic Problems, held at the European Institute for Advanced Studies in Management, Brussels, Belgium, 1978. The author is grateful to Prof. P. Bernhard and Dr. J. P. Quadrat for helpful discussions.     

Nonequilibrium Measurements of Free Energy Differences for Microscopically Reversible Markovian Systems

An equality has recently been shown relating the free energy difference between two equilibrium ensembles of a system and an ensemble average of the work required to switch between these two configurations. In the present paper it is shown that this result can be derived under the assumption that the system's dynamics is Markovian and microscopically reversible.     

Mathematical Models for Studying the Value of Motivational Leadership in Teams

Mathematical models are presented for studying the value of leadership in a team where the members interact with each other. The models are based on a leader’s role of motivating each team member to perform closer to his/her maximum ability. These models include controllable parameters whose values reflect the amount of task interdependence among the workers as well as the motivational skill and variability in the skill of the leader. Confirming results—such as the fact that the skill level of the leader is a critical factor in the expected performance of the team—establish credibility in the models. Mathematical analysis and computer simulations are used to provide new managerial insights into the value of the leader—such as the fact that the skill of the leader can be more important than controlling the amount of interdependence among the team members and that having a choice of multiple leaders with no particular motivating skill is beneficial to the performance of small teams but not to large teams.Daniel Solow received a B.S. in Mathematics from Carnegie-Mellon, an M.S. in Operations Research from the University of California at Berkeley, and a Ph. D. in Operations Research from Stanford University. He has been a professor at Case Western Reserve University since 1978. His research interests include complex systems, discrete, linear, and nonlinear optimization. He has also developed systematic methods for teaching mathematical proofs, computer programming, and operations research.Sandy Kristin Piderit is an assistant professor of organizational behavior at the Weatherhead School of Management at Case Western Reserve University, and earned her Ph.D. from the University of Michigan. She studies the roles of relationships among coworkers on their performance and satisfaction with their work environments, and has published studies in the Academy of Management Review, the Journal of Management Studies, and Management Science.Apostolos Burnetas received a Diploma in Electrical Engineering from National Technical University in Athens, Greece, and an M.B.A. and Ph.D. in Operations Research from Rutgers University. He has been at the Department of Operations at Case Western Reserve University and is currently an Associate Professor at the Department of Mathematics at the University of Athens. His research interests include stochastic models and optimization, complex systems, and applications in queueing systems, supply chain and the interface of operations with finance.Chartchai Leenawong received a B.S. in Mathematics from Chulalongkorn University in Bangkok, an M.S. in Computer Science from the Asian Institute of Technology in Bangkok, and a Ph.D. in Operations Research from Case Western Reserve University. His research interests include mathematical modeling of complex systems as applied to business organizations. He has been a professor at King Mongkut’s Institute of Technology Ladkrabang, Bangkok, Thailand since 2002.     

Electrolytic reduction of molybdophosphate in aqueous acetonitrile and its application to flow-coulometric determination of orthophosphate

The formation and electrolytic reduction of molybdophosphate in aqueous solutions of various water-miscible organic solvents have been extensively investigated. Acetonitrile was found to be the most useful of these solvents. Two species of molybdophosphate are formed in aqueous acetonitrile, one of which changes spontaneously into the other, which is quite stable and undergoes a 2-electron electrolytic reduction. On the basis of these facts, a flow-coulometric method for orthophosphate has been developed, applicable to the range 5 × 10⁻⁶-1 × 10⁻³M. It has been used for determination of orthophosphate in several phosphorus compounds, some of which are acid-labile.     

转臂式离心机工作室内的瞬态温度求解与分析

考虑大型转臂式离心机圆柱形工作室各墙壁(顶板、底板和侧壁)的瞬态导热,建立各墙壁的瞬态温度控制方程,对控制方程进行Laplace变换并求解,得到了透过墙壁内表面的总热流量与工作室内空气温度的关系.同时,综合考虑离心机驱动系统输出功率与工作室内空气和固体部件吸热、墙壁系统的吸热和导热、出风口带出的热量,以及动能与进风口带入的热量和动能之差等供能与耗能之间的平衡关系,建立工作室内瞬态温度控制方程,导出了工作室内空气瞬态温度的Laplace变换像函数的解析表达式.然后,采用求解Laplace逆变换的展开定理,导出了工作室内空气瞬态温度随时间变化的级数型显式表达式.最后,以一台多用途离心机为例,进行了工作室内空气温度的理论计算,与以前只考虑墙壁稳态导热的理论计算相比,瞬态计算结果与实测结果更加接近.所建瞬态温度公式提高了工作室温度的预测精度,有助于提升大型转臂式离心机工作室温控设计的水平.