Measurement of Residual Dipolar Couplings of Organic Molecules in Multiple Solvent Systems Using a Liquid-Crystalline-Based Medium

Residual dipolar coupling (RDC), a robust anisotropic NMR parameter for structural elucidation of organic molecules, is only accessible in an anisotropic environment. Herein, we introduce a novel alignment medium based on the molecular self-assembly of oligopeptide amphiphile (OPA). This medium is compatible with different intermediate and polar solvent systems, such as CD₃OD, [D₆]DMSO, and D₂O. The preparation of the OPA-based medium is simple and rapid, while only very weak background signals were observed from OPAs. Furthermore, we show that the purity of OPA has only a minor influence on the quality of the RDC data. These advantages allow RDC measurements of organic molecules with different polarities and solubilities with high efficiency and accuracy.     

离心力场作用下多孔介质中强制对流换热的研究

对离心流化床中空气通过多孔物料层的强制对流换热进行了理论和实验研究。获得了气流和物料间强制对流换热的准则关联式。研究结果表明,在气流速度和温度梯度方向一致的条件下,强制对流换热比通常的边界层强制对流换热有所强化,其换热的准则关联式具有 Nu=CRePr的线性形式。从而验证了改变气流方向和热流密度矢量之间夹角可以强化换热的这一强化传热新原理。     

On effectiveness of wiretap programs in mapping social networks

Snowball sampling methods are known to be a biased toward highly connected actors and consequently produce core-periphery networks when these may not necessarily be present. This leads to a biased perception of the underlying network which can have negative policy consequences, as in the identification of terrorist networks. When snowball sampling is used, the potential overload of the information collection system is a distinct problem due to the exponential growth of the number of suspects to be monitored. In this paper, we focus on evaluating the effectiveness of a wiretapping program in terms of its ability to map the rapidly evolving networks within a covert organization. By running a series of simulation-based experiments, we are able to evaluate a broad spectrum of information gathering regimes based on a consistent set of criteria. We conclude by proposing a set of information gathering programs that achieve higher effectiveness then snowball sampling, and at a lower cost. Maksim Tsvetovat is an Assistant Professor at the Center for Social Complexity and department of Public and International Affairs at George Mason University, Fairfax, VA. He received his Ph.D. from the Computation, Organizations and Society program in the School of Computer Science, Carnegie Mellon University. His dissertation was centered on use of artificial intelligence techniques such as planning and semantic reasoning as a means of studying behavior and evolution of complex social networks, such as these of terrorist organizations. He received a Master of Science degree from University of Minnesota with a specialization in Artificial Intelligence and design of Multi-Agent Systems, and has also extensively studied organization theory and social science research methods. His research is centered on building high-fidelity simulations of social and organizational systems using concepts from distributed artificial intelligence and multi-agent systems. Other projects focus on social network analysis for mapping of internal corporate networks or study of covert and terrorist orgnaizations. Maksim’s vita and publications can be found on Kathleen M. Carley is a professor in the School of Computer Science at Carnegie Mellon University and the director of the center for Compuational Analysis of Social and Organizational Systems (CASOS) which has over 25 members, both students and research staff. Her research combines cognitive science, social networks and computer science to address complex social and organizational problems. Her specific research areas are dynamic network analysis, computational social and organization theory, adaptation and evolution, text mining, and the impact of telecommunication technologies and policy on communication, information diffusion, disease contagion and response within and among groups particularly in disaster or crisis situations. She and her lab have developed infrastructure tools for analyzing large scale dynamic networks and various multi-agent simulation systems. The infrastructure tools include ORA, a statistical toolkit for analyzing and visualizing multi-dimensional networks. ORA results are organized into reports that meet various needs such as the management report, the mental model report, and the intelligence report. Another tool is AutoMap, a text-mining systems for extracting semantic networks from texts and then cross-classifying them using an organizational ontology into the underlying social, knowledge, resource and task networks. Her simulation models meld multi-agent technology with network dynamics and empirical data. Three of the large-scale multi-agent network models she and the CASOS group have developed in the counter-terrorism area are: BioWar a city-scale dynamic-network agent-based model for understanding the spread of disease and illness due to natural epidemics, chemical spills, and weaponized biological attacks; DyNet a model of the change in covert networks, naturally and in response to attacks, under varying levels of information uncertainty; and RTE a model for examining state failure and the escalation of conflict at the city, state, nation, and international as changes occur within and among red, blue, and green forces. She is the founding co-editor with Al. Wallace of the journal Computational Organization Theory and has co-edited several books and written over 100 articles in the computational organizations and dynamic network area. Her publications can be found at: http://www.casos.cs.cmu.edu/bios/carley/publications.php     

A new stochastic method of reconstructing porous media

We present a new stochastic method of reconstructing porous medium from limited morphological information obtained from two-dimensional micro- images of real porous medium. The method is similar to simulated annealing method in the capability of reconstructing both isotropic and anisotropic structures of multi-phase but differs from the latter in that voxels for exchange are not selected completely randomly as their neighborhood will also be checked and this new method is much simpler to implement and program. We applied it to reconstruct real sandstone utilizing morphological information contained in porosity, two-point probability function and linear-path function. Good agreement of those references verifies our developed method’s powerful capability. The existing isolated regions of both pore phase and matrix phase do quite minor harm to their good connectivity. The lattice Boltzmann method (LBM) is used to compute the permeability of the reconstructed system and the results show its good isotropy and conductivity. However, due to the disadvantage of this method that the connectivity of the reconstructed system’s pore space will decrease when porosity becomes small, we suggest the porosity of the system to be reconstructed be no less than 0.2 to ensure its connectivity and conductivity.     

分形介质的传热与传质分析(综述)

本文论述了分形介质的分形理论和数学基础,并简要综述了用分形理论和方法研究分形介质的传热与传质特性(如多孔介质的渗透率、热导率以及池核态沸腾换热)方面目前所取得的研究进展,最后扼要展望了用分形理论和方法进一步研究分形介质的传热与传质的可能的若干课题和方向。     

Modeling Media with Oriented Structures

Heterogeneity is typically the result of space variability of soil parameters at different scales. Soil anisotropy may be defined as the spatial persistence in some direction only, across coarse-grid elements, of heterogeneous structures with different characteristic lengths in different directions. One can account for the effect of these structures by upscaling soil properties. Analyzing flow in a strongly anisotropic structured soil at different scales evidences how transverse dispersion reduces to a subscale process, leading to mixing within the conductive structures.     

Modelling of an underground waste disposal site by upscaling

In this paper, we study the global behaviour of an underground waste disposal in order to have an accurate upscaled model suitable for the computations involved in safety assessment processes. We start from a detailed model describing the transport of pollutant leaking from a high number of units. Using the method of homogenization, going to the limit, we obtain first a macroscopic model where the sources are now appearing globally. Then we compute a first‐order matched asymptotic expansion and we give the error estimates for this approximation. Copyright © 2004 John Wiley & Sons, Ltd.     

Identifying sets of key players in a social network

A procedure is described for finding sets of key players in a social network. A key assumption is that the optimal selection of key players depends on what they are needed for. Accordingly, two generic goals are articulated, called KPP-POS and KPP-NEG. KPP-POS is defined as the identification of key players for the purpose of optimally diffusing something through the network by using the key players as seeds. KPP-NEG is defined as the identification of key players for the purpose of disrupting or fragmenting the network by removing the key nodes. It is found that off-the-shelf centrality measures are not optimal for solving either generic problem, and therefore new measures are presented. Stephen P. Borgatti is Professor of Organization Studies at the Carroll School of Management, Boston College. His research is focused on social networks, social cognition and knowledge management. He is also interested in the application of social network analysis to the solution of managerial problems.     

Eigenvalue approach to study the effect of rotation and relaxation time in generalized magneto-thermo-viscoelastic medium in one dimension

The fundamental equations of the problems of generalized thermoelasticity with one relaxation parameter including heat sources in infinite rotating magneto-thermo-viscoelastic media have been derived in the form of a vector matrix differential equation in the Laplace transform domain for a one dimensional problem. These equations have been solved by the eigenvalue approach to determine deformations, stress, and temperature. The results have been compared to those available in the existing literature. The graphs have been drawn to show the effect of rotation in the medium.     

Scattering relations for point‐source excitation in chiral media

A spherical electromagnetic wave propagating in a chiral medium is scattered by a bounded chiral obstacle which can have any of the usual properties. Reciprocity and general scattering theorems, relating the scattered fields due to scattering of waves from a point source put in any two different locations are established. Applying the general scattering theorem for appropriate locations and polarizations of the point source we prove an associated forward scattering theorem. Mixed scattering relations, relating the scattered fields due to a plane wave and the far‐field patterns due to a spherical wave, are also established. Copyright © 2005 John Wiley & Sons, Ltd.