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npj Computational Materials 2018年第1期4卷 45-53页

作者： Max Falkowski Christopher künneth Robin Materlik Alfred kersch Munich University of Applied Sciences Lothstr.3480335 MunichGermany

Insight into the origin of process-related properties like small-scale inhomogeneities is key for material ***,we analyze DFT calculations of randomly doped HfO_(2) structures with Si,La,and VO and relate them to the kind of production *** energies of the relevant ferroelectric Pbc2_(1) phase are compared with the competing crystallographic phases under the influence of the arising local inhomogeneities in a coarse-grained *** interaction among dopants adds to the statistical effect from the random positioning of the *** anneals after atomic layer or chemical solution deposition processes,which are short compared to ceramic process tempering,the large energy variations remain because the dopants do not *** the energy difference is the criterion for the phase stability,the large variation suggests the possibility of nanoregions and diffuse phase transitions because these local doping effects may move the system over the paraelectric-ferroelectric phase boundary.

关键词： ferroelectric dopant grain

Characterization of Curing and Bonding of wood with Adhesive Mixtures of Liquefied wood and Hexamethylenediamine

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Journal of Renewable Materials 2023年第2期11卷 991-1001页

作者： JureŽigon VitŠeda PetrČermák MilanŠernek Department of wood Science and Technology Biotechnical FacultyUniversity of LjubljanaLjubljana1000Slovenia Department of wood Science and Technology Faculty of Forestry and Wood TechnologyMendel University in BrnoBrno61300Czech Republic

Various crosslinking agents can be added to the formulations of natural-based adhesives for wood bonding in order to achieve better durability and higher strength of the formed *** the present study,the effect of hexamethylenediamine(HMDA)addition on the performance of liquefied wood(Lw)adhesive for wood bonding is *** scanning calorimetry showed the improved thermal stability and crosslinking of the Lw adhesive with *** intensified presence of amide linkages(C–N bonds)was found in Lw+HMDA with attenuated total reflection Fourier transform infrared *** of the bonded joints using an automated bonding evaluation system showed that a higher press temperature resulted in stronger bonds for both types of ***,the addition of HMDA to Lw adhesive improved the bond strength of the joints and accelerated the crosslinking of the ***,with a tensile shear strength of(6.76±2.16)N×mm^(−2)(for Lw)and(6.89±2.10)N×mm^(−2)(for Lw+HMDA),both adhesives were found to be unsuitable for interior non-structural *** addition,the acidity of Lw resulted in relatively high wood failure(70%)in the adhesive joints *** crosslinking of Lw with HMDA was reflected in improved resistance of Lw+HMDA adhesive joints to water *** conclusion,HMDA is a promising additive for improving the adhesive performance of Lw adhesives.

关键词： Adhesive bonding hexamethylenediamine liquefied wood

Evaluation and management of the child with hypothyroidism

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world Journal of Pediatrics 2019年第2期15卷 124-134页

作者： Alexander k.C.Leung Alexander A.C.Leung Department of Pediatrics The University of Calgaryand The Alberta Children's Hospital#200233-16th Avenue NWCalgaryAB T2M 0H5Canada Department of Medicine The University of CalgaryCalgaryABCanada

Background Thyroid hormones are critical for early neurocognitive development as well as growth and development throughout *** recognition and treatment of hypothyroidism is,therefore,of utmost importance to optimize physical and neurodevelopmental *** sources A PubMed search was completed in Clinical Queries using the key terms 'hypothyroidism'.Results Hypothyroidism may be present at birth (congenital hypothyroidism) or develop later in life (acquired hypothyroidism).Thyroid dysgenesis and dyshormonogenesis account for approximately 85% and 15% of permanent cases of congenital primary hypothyroidism,*** than 95% of infants with congenital hypothyroidism have few,if any,clinical manifestations of *** screening programs allow early detection of congenital *** developed countries,Hashimoto thyroiditis is the most common cause of goiter and acquired hypothyroidism in children and ***,iodine deficiency associated with goiter is the most common cause of *** hypothyroidism is uncommon and may be associated with other congenital syndromes and deficiencies of other pituitary *** of the clinical features would allow prompt diagnosis and institution of *** To optimize neurocognitive outcome in infants with congenital hypothyroidism,treatment with levothyroxine should be started as soon as possible,preferably within the first 2 weeks of *** with acquired hypothyroidism should also be treated early to ensure normal growth and development as well as cognitive *** target is to keep serum TSH within the upper half of the age-specific reference range,with elimination of all symptoms and signs of hypothyroidism.

关键词： Dysgenesis Dyshormonogenesis Hashimoto thyroiditis Hypothyroidism Iodine deficiency Levothyroxine Mental retardation Stunted growth

Structural Changes of a Tropical Cyclone during Landfall: β-plane Simulations

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Advances in Atmospheric Sciences 2010年第5期27卷 1143-1150页

作者： k.C.SZETO Johnny C.L.CHAN School of Energy and Environment City University of Hong Kong

This study investigated the effects of landfall on the structure of a tropical cyclone （TC）. Numerical simulations were performed using the weather Research and Forecasting Model on a β-plane. Two landfall experiments, one with an east–west and another with a north–south oriented coastline, were performed. Similar to previous studies on an f-plane, large-scale flows in the low-to-middle troposphere were modified due to friction. A pair of counter rotating gyres was found, which was shown to be consistent with the slight deffection of the TC relative to the control experiment without land. Compared to previous f-plane simulations, because of the inherent asymmetries due to the β-gyres, the large-scale pattern of flows and convergences/divergences related to friction were found to depend on coastline orientations. On the other hand, regardless of the coastline orientation, convergences were found to be stronger to the left for both cases near landfall, as in previous f-plane simulations. Such a convergence pattern subsequently induced a change in convection and rainfall at the eyewall.

关键词： tropical cyclone landfall numerical simulations

MATRIX-AGENT FRAMEwORk: A VIRTUAL PLATFORM FOR MULTI-AGENTS

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Journal of Systems Science and Systems Engineering 2006年第4期15卷 436-456页

作者： Clement H.C. LEUNG Gitesh k. RAIkUNDALIA School of Computer Science and Mathematics Victoria University PO Box 14428 Melbourne City MC 8001 Australia

Multi-agent technology has been applied extensively to many areas, including Decision Support Systems （DSS）. However, the applications of multi-agent technology in DSS are still very preliminary. Most of the current agent frameworks, such as middle-agent-based or agent-facilitator-based frameworks, are basically agent-to-agent model. These agent-based frameworks often neglect the living environment for agents and they suffer from：（i） inability to adapt to the environment, （ii） inability to self-upgrade, and （iii） inefficiency in information acquisition. Here, we introduce a recently proposed multi-agent framework, namely Agent-based Open Connectivity for Decision Support Systems （AOCD）. In this new framework, the communication and cooperation between agents are through a key component, the Matrix, which provides a virtual platform for agents. we use a unified Matrices framework to solve the bottleneck problem in the AOCD framework. Our experimental results based on different agent network topologies indicate that the hybrid topology presents superior performance compared with the centralised and decentralised topologies.

关键词： Multi-agent agent topology analysis DSS virtual agent society AOCD

Trisubstituted Aryl Cyclohexanecarboxylates (TACC): A Simple, New Molecular Scaffold for Antibiotics Design

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International Journal of Organic Chemistry 2019年第3期9卷 142-162页

作者： Olusegun B. Olubanwo Arianna kazez Daniel w. Carney Jason k. Sello Department of Chemistry Brown University Providence RI USA Department of Chemistry and Biochemistry University of Massachusetts North Dartmouth MA USA

A new class of potential antibacterial agents has been synthesized on a new molecular scaffold of cyclohexane carboxylate. we have tagged this new class of compounds TACCs (Trisubstituted Aryl Cyclohexanecarboxylate). These new molecules are structural analogues of an Activators of Self-Compartmentalizing Proteases 4 and 5 (ACP 4 and 5), and were synthesized to circumvent the drug-like property (drug-ability) challenges and liability noted in ACP 4 and 5. A pseudo-Robinson annulation protocol was used to furnish this new class of potential antibiotics. Structure-activity relationship (SAR) study was done to identify the pharmacophore(s) in this molecular scaffold. A selection of these compounds was used in our preliminary antibacterial inhibitory activities’ studies on Bacillus mycoides and Bacillus subtilis. These preliminary studies show that the TACCs exhibited equal, and in some cases better, antibacterial activity than ACP 4 and 5.

关键词： Cyclohexanecarboxylate Oxocyclohexanecarboxylate ClpP Activator Bacillus Subtilis Antibacterial Antibiotics Pseudo-Robinson Protocol Pharmacophores Clp Protease

Inverse Analysis of Origin-Destination Matrix for Microscopic Traffic Simulator

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Computer Modeling in Engineering & Sciences 2017年第1期113卷 71-87页

作者： k.Abe H.Fujii S.Yoshimura The University of Tokyo BunkyoTokyoJapan

Microscopic traffic simulations are useful for solving various trafficrelated problems,*** jams and accidents,local and global environmental and energy problems,maintaining mobility in aging societies,and evacuation planning for natural as well as man-made *** origin-destination(OD)matrix is often used as the input to represent traffic demands into traffic *** this study,we propose an indirect method for estimating the OD matrix using a traffic simulator as an internal *** proposed method is designed to output results that are consistent with the input of the *** method consists of the following steps:(1)calculating link traffic volume from the OD matrix,and(2)updating the *** estimated matrix is updated iteratively until it converges to a predefined tolerance *** experiments are then conducted using the proposed method on a grid network and on a representation of an actual road ***,we discuss the characteristics of the proposed method and the non-negative constraint for the traffic volume.

关键词： OD estimation inverse problem traffic simulation Levenberg-Marquardt method iterative method

wETFINE——烧结厂和球团厂的废气净化新技术

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钢铁 2002年第1期37卷 70-72页

作者： k.Hofstadler F.Murauer D.Steiner w.Gebert 奥钢联工程技术公司

奥钢联开发的 wETFINE系统能够将烧结厂、球团厂、废物焚化炉、玻璃炉等污染源的排放量降低到前所未有的水平。碱金属氯化物微粒、PCDD/ F、SOx

关键词： wETFINE系统烧结厂球团厂废气净化

Higher-Order Corrections to Earth's Ionosphere Shocks

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Communications in Theoretical Physics 2017年第1期67卷 90-96页

作者： H.G.Abdelwahed E.k.El-Shewy Plasma Technology and Material Science Unit(PTMSU) Physics DepartmentCollege of Science and Humanitarian StudiesPrince Sattam bin Abdulaziz UniversityAlkharjKSA Theoretical Physics Group Physics DepartmentFaculty of ScienceMansoura UniversityMansouraEgypt

Nonlinear shock wave structures in unmagnetized collisionless viscous plasmas composed fluid of positive(negative) ions and nonthermally electron distribution are examined. For ion shock formation, a reductive perturbation technique applied to derive Burgers equation for lowest-order potential. As the shock amplitude decreasing or enlarging,its steepness and velocity deviate from Burger equation. Burgers type equation with higher order dissipation must be obtained to avoid this deviation. Solution for the compined two equations has been derived using renormalization analysis. Effects of higher-order, positive- negative mass ratio Q, electron nonthermal parameter δ and kinematic viscosities coefficient of positive(negative) ions η1 and η2 on the electrostatic shocks in Earth's ionosphere are also argued.

关键词： nonthermal electrons ion shock waves Burgers equation Burger type equation renormalization method higher-order dissipation

Charged grain boundary transitions in ionic ceramics for energy applications

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npj Computational Materials 2019年第1期5卷 947-958页

作者： k.S.N.Vikrant R.Edwin García School of Materials Engineering Purdue UniversityWest LafayetteIN 47907USA

Surfaces and interfaces in ionic ceramics play a pivotal role in defining the transport limitations in many of the existing and emerging applications in energy-related systems such as fuel cells,rechargeable batteries,as well as advanced electronics such as those found in semiconducting,ferroelectric,and piezotronic ***,a variational framework has been developed to understand the effects of the intrinsic and extrinsic ionic species and point defects on the structural and electrochemical stability of grain boundaries in polycrystalline *** theory predicts the conditions for the interfacial electrochemical and structural stability and phase transitions of charged interfaces and quantifies the properties induced by the broad region of electrochemical influence in front of a grain boundary capable of spanning anywhere from a few angtroms to entire *** demonstrate the validity of this theory for Y_(x)Zr_(1−x)O_(2−x/2),cubic yttria stabilized zirconia.

关键词： ceramics grain transitions