Atom space distance and computing of molecular similarity

A mathematical model on computation of molecular similarity was suggested, The algorithmic techniques for measuring the degree of similarity between pairs of three-dimensional chemical molecules was represented by modified interatomic distance matrices. Current work was carried out on Indigo 2 work station with Sybyl software. Four groups of molecules were used to compute the molecules similarity to testing the mathematical model with satisfactory results.

Determination of electron mobility in a blue-emitting alternating block copolymer by space-charge-limited current measurements

In this communication we analyse current versus voltage data obtained using one carrier injection at metal/polymer/metal structures, The used polymer is a soluble blue-emitting alternating block copolymer, Our experimental results demonstrate that the electron current is limited by a large amount of traps with exponential energy distribution in the copolymer. The electron ;mobility of 5.1 x 10(-10) cm(2)/V s is directly determined by space-charge-limited current measurements. The electron mobility is at least three orders of magnitude smaller than that for holes in the copolymer. (C) 1999 Elsevier Science Ltd. All rights reserved.

The intermolecular coupling through space for stacked high spin molecules

Intermolecular ferromagnetic interactions in two stacking models for the dimer of high spin molecules are investigated by means of AM1-CI approach. It is shown that the stability of high spin ground state versus low spin state can be simply traced back to the number and the extent of atoms with reversed signs of pi-spin density in neighboring molecules coupled to each other in shortest distance.

Donut-shaped spray chamber for inductively coupled plasma spectrometry

A donut-shaped spray chamber has been developed for the introduction of aerosol and/or volatile chemical species into the inductively coupled plasma. Compared with the Fassel-Scott spray chamber, it gives a higher efficiency of aerosol generation and transportation and superior stable inner pressure. As a result, it brings the benefits of higher intensity signal, lower background, higher measurement precision, and better detection limits. Using:his spray chamber, it is more convenient to introduce volatile chemical species into the sampling system, and more flexible for the choice of introducing aerosol and volatile chemical species separately or simultaneously into the plasma. It is also suitable for FIA technique. (C) 1998 Elsevier Science B.V. All rights reserved.

Transformation of accommodation space of the Cretaceous Qingshankou Formation, the Songliao Basin, NE China

Analysis of accommodation space variation during deposition of the Cretaceous Qingshankou Formation in the Songliao Basin, NE China, indicates that accommodation space changed both through time and across the basin as a seesaw movement. The mid-upper Qingshankou Formation is divided into three units. In each unit, changes of accommodation space differ in the southern and northern part of the basin. Increasing accommodation in the southern part is accompanied by a decrease in the northern part, and vice versa. Between the northern and southern basin, there was a neutral belt that is like a fulcrum, called the transformation belt here, where the accommodation did not change to any significant degree. We call this response 'accommodation transformation', whose characteristics are defined by tectonic subsidence analysis, palaeontological and sedimentary analyses. The accommodation increasing belt, decreasing belt, transformation belt and accommodation transformation boundary together constitute the accommodation transformation system. The recognition of accommodation transformation in the Songliao Basin provides a new insight into sequence stratigraphy and might be widely applicable.

Near-Space Wide-Swath Radar Imaging With Multiaperture Antenna

Near-space, defined as the altitude region between 20 and 100 km, offers many capabilities that are not accessible for low Earth-orbit (LEO) satellites or airplanes because it is above storm and not constrained by orbital mechanics and high fuel consumption. Hence, a high flying speed can be obtained for the maneuvering vehicles operating in near-space. This offers a promising solution to simultaneous high-resolution and wide-swath synthetic aperture radar (SAR) imaging. As such, one near-space wide-swath SAR imaging technique is presented in this letter. The system configuration, signal model, and imaging scheme are described. An example near-space SAR system is designed, and its imaging performance is analyzed. Simulation results show that near-space maneuvering vehicle SAR indeed seems to be a promising solution to wide-swath SAR imaging.

Short-term effects of sheep excrement on carbon dioxide, nitrous oxide and methane fluxes in typical grassland of Inner Mongolia

Excrement patches of grazing animals play an important role in greenhouse gas (GHG) fluxes due to the high nitrogen (N) and available carbon (C) deposited in small areas, but little information is available for the effect of excrement in the Inner Mongolian grassland (43 26 degrees N, 116 degrees 40'E). To elucidate the effect of grazing sheep urine, fresh dung and compost on fluxes of methane (CH4), carbon dioxide (CO2), and nitrous oxide (N2O), a short-term field study (65 days) was carried out in the typical grassland of Inner Mongolia with the optimised closed chamber/GC technique. Compared with the control, cumulative net CH4 consumption decreased 36, 31, and 18% from urine, fresh dung, and compost plots, respectively; net CO2-C output increased by 6.5, 1.5, and 1.2% from urine, fresh dung, and compost treated soil, respectively; about three times as much N2O-N was emitted from urine and the fresh dung treatments during 65 days. Nitrous oxide emission was positively correlated with CO, emission (R = 0.691, P < 0.01) and water-filled pore space (R = 0.698, P < 0.01). The percentages of N2O-N loss of applied-N were 0.44 and 1.05% for urine and fresh dung, respectively. Our results suggest that in autumn in the degraded grassland of Inner Mongolia, the effect of sheep excrement may be ignored when evaluating the total GHG emissions.

东天山镁铁-超镁铁岩铜镍硫化物矿床通道式成矿机制与岩体含矿性评价研究

A mafic-ultramafic complex belt well developed in Eastern Tianshan, Xinjiang, NW China, which contains a series of Cu-Ni sulfide deposits. This area is the important production basis for Cu-Ni deposits, including Tulargen deposit, Hulu deposit, Huangshan-Huangshandong deposit, Hulu deposit, Xiangshan deposit, Tianyu deposit, Chuanzhu deposit. In China, especially Eastern Tianshan, it is prevalent that large Cu-Ni deposits occurred in small intrusions, typically including Jinchuan, Kalatongke, et al., so the ore-forming mechanism and evaluation rule for those small intrusions are very meaningful and of universal significance. On the basis of the research to typical Cu-Ni deposits, ore-forming conditions and processes are summarized through which to evaluate the ore-bearing potential for barren intrusions and unexplored mafic-ultramafic intrusions. By the contrast, metallogenic rule and mechanism of ore genesis are concluded, and evaluation system is preliminarily set up on the basis of these conclusions. Quantitatively simulation for the composition of olivine is introduced for the first time in China to discuss the interaction between magma and sulfide, and a new method to calculate the Mg-Fe composition of primitive magma is developed. Interaction between magma and sulfide liquid is used to get the Ni content in sulfide liquid. Sulfur isotopic characteristics in sulfide minerals in country rocks and ores are used to judge crustal sulfur introduction, which is applied for the first time in China. Re-Os isotopic characteristics are related to the ore-forming process, to interpret the process of enrichment of chalcophile elements. On the basis of the evaluation system, Mati, Chuanzhu, Luodong, Xiadong, those intrusions are evaluated to their ore-bearing potential. According to the studies to typical Cu-Ni deposits, conduit-type ore-forming model is set up, and the characteristics of the model are concluded systematically. The evaluation system and conduit-type ore-forming model can be helpful to the evaluation of mafic-ultramafic intrusions in this and similar mafic-ultramafic intrusion belts. The studied typical deposits and mafic-ultramafic intrusion include Tulargen deposit, Hulu deposit, Huangshandong deposit, Chuanzhu deposit, Mati intrusion，Luodong intrusion, Xiadong intrusion, and others. Through studies, there are similar characteristics for Tulargen and Hulu deposits in magma origin, composition of primitive magma（MgO=12.5%, FeO=12% and MgO=11%, FeO=10.5% respectively）, magma evolution, mechanism of sulfide segregation and conduit-type ore-forming process. By Re-Os isotopic system, the ore forming date of Tulargen deposit is 265.6±9.2Ma, which is consistent to regional metallogenic event, but little younger. The Mg-Fe composition of primitive magma of Baishiquan, Huangshandong area, Kalatongke is lower than that of Tulargen and Hulu deposit, showing common basalt composition. The Mg# value（Mg#=(Mg/Mg+Fe）increases gradually from Kalatongke to Baishiquan to Huangshan-Huangshandong East. Baishiquan intrusions show relatively higher crustal contamination by evidence of trace element, which indicates the lower magma original source, from depleted mantle to crust. One break is the discovery of komatiitic intrusion, Xiadong intrusion, which shows characteristics of highly magnesium (Max Fo=96). The primitive magma is calculated of MgO=28%，FeO=9%, belonging to komatiitic magma. Tectonic evolution of Eastern Tianshan is discussed. By the statistics of ore-forming data of porphyry copper deposits, magmatic sulfide Cu-Ni deposits, orogenic hydrothermal gold deposits, we believe that those deposits are the successive products of oceanic subduction, are and back-arc basin collision and post-orogenic extention. And Cu-Ni sulfide deposits and orogenic gold deposits occurred in the stage of post-orogenic extention. According to the conclusions, the conduit-type ore-forming mechanism of magmatic sulfide deposit is set up, and its characteristics and conditions are concluded as well. The conduit-type ore-forming system includes magma generation, sulfide segregation, enrichment of chalcophile elements, interaction of sulfide and magma, sulfide collection in limited space in magma conduit and bottom of the chamber, which make a whole ore-forming system.The ore-forming process of Cu-Ni sulfide deposits is concluded as three steps: 1. mantle derived magma rises upward to the middle-upper crust; 2. magma suffers crustal contamination of different degrees and assimilates crustal sulfur, which leads to sulfur saturation and sulfide segregation. Sulfide liquid interacts with magma and concentrates chalcophile elements; 3. enriched sulfide located in the conduit(Tulargen) or bottom of the chamber (Hulu). Depleted magma rises upward continuously to form barren complexes. For the practical cases, Tulargen deposit represents the feeding conduit, and Hulu deposit represents the bottom of the staging magma chamber. So the deeper of west of Tulargen and southwest of Hulu are the favorite locate for ore location. The evaluation for ore potential can be summarized as follows: (1) Olivine can be served as indicator for magma evolution and events of sulfide segregation; (2) Sulfur isotopic characteristics is an efficient method to judge sulfur origin for magmatic sulfide deposit; (3) Re-Os content of the ores can indicate interaction between sulfide and silicate magma and crustal contamination; (4) PGE mineralization is effected by degree of partial melting of mantle; (5) Cu/Zr is efficient parameter to judge sulfide segregation; (6) The effects of multiple magma fractionation and emplacement are important, for inverse order shows the destruction to previous solid lithofacies and orebodies. Mati, Chuanzhu, Xiadong, Luodong, mafic-ultramafic intrusions are evaluated using evaluation system above. Remarkable Ni depletion is found in olivine of Mati, and southwest of the intrusion can be hopeful location for ore location. Chuanzhu intrusion has remarkable evidence of sulfide segregation, but the intrusion represents the narrow feeder conduit, so the wide part of the conduit maybe the favorite location for sulfide to deposit. The ore potential of Luodong and Xiadong is not good. Both the intrusions show no Ni depletion in olivine, and there is no sulfide in country rocks, so no crustal sulfur is added into the magmatic system. For Sidingheishan, a very large intrusion, the phenomenon of sulfide segregation is found, but there are no favorite places for sulfide to deposit. So the Cu-Ni ore potential maybe not good, but PGE mineralization should be evaluated further.

Transition Space

Informal causal descriptions of physical systems abound in sources such as encyclopedias, reports and user's manuals. Yet these descriptions remain largely opaque to computer processing. This paper proposes a representational framework in which such descriptions are viewed as providing partial specifications of paths in a space of possible transitions, or transition space. In this framework, the task of comprehending informal causal descriptions emerges as one of completing the specifications of paths in transition space---filling causal gaps and relating accounts of activity varied by analogy and abstraction. The use of the representation and its operations is illustrated in the context of a simple description concerning rocket propulsion.

Automatic Design of a Maglev Controller in State Space

We describe the automatic synthesis of a global nonlinear controller for stabilizing a magnetic levitation system. The synthesized control system can stabilize the maglev vehicle with large initial displacements from an equilibrium, and possesses a much larger operating region than the classical linear feedback design for the same system. The controller is automatically synthesized by a suite of computational tools. This work demonstrates that the difficult control synthesis task can be automated, using programs that actively exploit knowledge of nonlinear dynamics and state space and combine powerful numerical and symbolic computations with spatial-reasoning techniques.

Swimming in Space-Time

Cyclic changes in the shape of a quasi-rigid body on a curved manifold can lead to net translation and/or rotation of the body in the manifold. Presuming space-time is a curved manifold as portrayed by general relativity, translation in space can be accomplished simply by cyclic changes in the shape of a body, without any thrust or external forces.

Colliding and Moving Bose-Einstein Condensates: Studies of superfluidity and optical tweezers for condensate transport

In this thesis, two different sets of experiments are described. The first is an exploration of the microscopic superfluidity of dilute gaseous Bose- Einstein condensates. The second set of experiments were performed using transported condensates in a new BEC apparatus. Superfluidity was probed by moving impurities through a trapped condensate. The impurities were created using an optical Raman transition, which transferred a small fraction of the atoms into an untrapped hyperfine state. A dramatic reduction in the collisions between the moving impurities and the condensate was observed when the velocity of the impurities was close to the speed of sound of the condensate. This reduction was attributed to the superfluid properties of a BEC. In addition, we observed an increase in the collisional density as the number of impurity atoms increased. This enhancement is an indication of bosonic stimulation by the occupied final states. This stimulation was observed both at small and large velocities relative to the speed of sound. A theoretical calculation of the effect of finite temperature indicated that collision rate should be enhanced at small velocities due to thermal excitations. However, in the current experiments we were insensitive to this effect. Finally, the factor of two between the collisional rate between indistinguishable and distinguishable atoms was confirmed. A new BEC apparatus that can transport condensates using optical tweezers was constructed. Condensates containing 10-15 million sodium atoms were produced in 20 s using conventional BEC production techniques. These condensates were then transferred into an optical trap that was translated from the ‘production chamber’ into a separate vacuum chamber: the ‘science chamber’. Typically, we transferred 2-3 million condensed atoms in less than 2 s. This transport technique avoids optical and mechanical constrainsts of conventional condensate experiments and allows for the possibility of novel experiments. In the first experiments using transported BEC, we loaded condensed atoms from the optical tweezers into both macroscopic and miniaturized magnetic traps. Using microfabricated wires on a silicon chip, we observed excitation-less propagation of a BEC in a magnetic waveguide. The condensates fragmented when brought very close to the wire surface indicating that imperfections in the fabrication process might limit future experiments. Finally, we generated a continuous BEC source by periodically replenishing a condensate held in an optical reservoir trap using fresh condensates delivered using optical tweezers. More than a million condensed atoms were always present in the continuous source, raising the possibility of realizing a truly continuous atom lase.

Shaping Inputs to Reduce Vibration in Flexible Space Structures

Future NASA plans to launch large space strucutres solicit the need for effective vibration control schemes which can solve the unique problems associated with unwanted residual vibration in flexible spacecraft. In this work, a unique method of input command shaping called impulse shaping is examined. A theoretical background is presented along with some insight into the methdos of calculating multiple mode sequences. The Middeck Active Control Experiment (MACE) is then described as the testbed for hardware experiments. These results are shown and some of the difficulties of dealing with nonlinearities are discussed. The paper is concluded with some conclusions about calculating and implementing impulse shaping in complex nonlinear systems.

Representing Knowledge of Large-Scale Space

This dissertation presents a model of the knowledge a person has about the spatial structure of a large-scale environment: the "cognitive map". The functions of the cognitive map are to assimilate new information about the environment, to represent the current position, and to answer route-finding and relative-position problems. This model (called the TOUR model) analyzes the cognitive map in terms of symbolic descriptions of the environment and operations on those descriptions. Knowledge about a particular environment is represented in terms of route descriptions, a topological network of paths and places, multiple frames of reference for relative positions, dividing boundaries, and a structure of containing regions. The current position is described by the "You Are Here" pointer, which acts as a working memory and a focus of attention. Operations on the cognitive map are performed by inference rules which act to transfer information among different descriptions and the "You Are Here" pointer. The TOUR model shows how the particular descriptions chosen to represent spatial knowledge support assimilation of new information from local observations into the cognitive map, and how the cognitive map solves route-finding and relative-position problems. A central theme of this research is that the states of partial knowledge supported by a representation are responsible for its ability to function with limited information of computational resources. The representations in the TOUR model provide a rich collection of states of partial knowledge, and therefore exhibit flexible, "common-sense" behavior.

Motor Control and Learning by the State Space Model

A model is presented that deals with problems of motor control, motor learning, and sensorimotor integration. The equations of motion for a limb are parameterized and used in conjunction with a quantized, multi-dimensional memory organized by state variables. Descriptions of desired trajectories are translated into motor commands which will replicate the specified motions. The initial specification of a movement is free of information regarding the mechanics of the effector system. Learning occurs without the use of error correction when practice data are collected and analyzed.