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High-temperature dynamic behavior in bulk liquid water： A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

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Frontiers of physics 2018年第1期13卷 25-39页

作者： Andrea Gabrieli Marco Sant Saeed Izadi Parviz Seifpanahi Shabane Alexey V. Onufriev Giuseppe B. Suffritti Dipartimento di Chimica e Farmacia Universita degli Studi di Sassari Via Vienna 2 07100 Sassari Italy Department of Biomedical Engineering and Mechanics Virginia Tech Blacksburgl VA 24060 USA Department of Physics Virginia Tech Blacksburg VA 24060 USA Departments of Computer Science and Physics Virginia Tech Blacksburg VA 24060 USA Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM) Unita di ricerca di Sassari Via Vienna 2 07100 Sassari Italy

Classical molecular dynamics simulations were performed to study the high-temperature （above 300 K） dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared： the recently proposed ＂globally optimal＂ point charge （OPC） model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T＊ ≈ 309 and T＊ ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimen- tally, the crossover point was previously observed at T＊ ≈ 315 ±5 K. We also verified that for the coefficient of thermal expansion αp（T, P）, the isobaric αp（T） curves cross at about the same T＊ as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T＊, where the lifetimes are about 1 ps. For T 〈 T＊, hydrogen bonds persist longer than nearest neighbors, suggesting that the hydrogen bonding network dominates the water structure at T 〈 T＊, whereas for T 〉 T＊, water behaves more like a simple liquid. The fact that T＊ falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

关键词： dynamic crossover molecular dynamics bulk liquid water water models

techno-economic assessment of providing control energy reserves with a biogas plant

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Frontiers of Chemical Science and Engineering 2018年第4期12卷 763-771页

作者： Ervin Saracevic David Woess Franz Theuretzbacher Anton Friedl Angela Miltner Institute of Chemical Environmental and Bioscience EngineeringTU Wien1060 ViennaAustria university of Natural Resources and Life Sciences 1180 ViennaAustria university of Applied Sciences 2700Wiener NeustadtAustria

Grid stability is being challenged by the increasing integration of power plants with volatile power generation into the energy system. Power supply fluctuations must be compensated by energy system flexibility. The storability of the energy carrier enables biogas plants to generate power flexibly. In this study, the technical and economic effects of providing positive secondary control energy reserves with an Austrian biogas plant were assessed. The plant's main focus lies in biomethane production with the option of heat and power generation through combined heat and power (CHP) units. A detailed simulation model of the investigated biogas plant was developed, which is presented in this work. Ex-post simulations of one year of flexible plant operation were conducted with this model. The findings show that the installed biogas storage capacity is sufficient to provide control energy reserves while simultaneously producing biomethane. Profitability of providing control energy reserves largely depends on the prices at the control energy market and on CHP unit start-up costs. A cost efficiency analysis demonstrated that investing in a hot water tank with a volume of 5 m(3) for short-term heat storage turned out to be economically viable.

关键词： biogas plant process simulation control energy reserves economic assessment gas storage Gas storage process simulation Cogeneration socio-economic effects reserves Power production Biogas Power control Reserves reserve

Application of Electron Energy Loss Spectroscopy and Energy Filtering Transmission Electron Microscopy for Microchemical Studies in 2.25Cr-1Mo Steel

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Journal of Materials Science & technology 2005年第3期21卷 361-366页

作者： P.Parameswaran Ilse Papst F.Hofer W.Grogger V.S.Raghunathan Materials Characterisation Group Research Institute for Electron MicroscopyResearch Institute for Electron MicroscopyResearch Institute for Electron MicroscopyMaterials Characterisation Group Indira Gandhi Centre for Atomic ResearchKalpakkam 603 102IndiaTech.Univ.A-8010GrazAustriaTech.Univ.A-8010GrazAustriaTech.Univ.A-8010GrazAustriaIndira Gandhi Centre for Atomic ResearchKalpakkam 603 102India

Electron enregy loss spectroscopy (EELS) and energy filtering transmission electron microscopy (EFTEM) investigation on 2.25Cr-lMo steel was carried out to understand the nature of evolution of secondary carbides. The filtered images obtained from two different ageing treatments indicate that the steel evolves to a more stable carbide namely M23C6 in comparison to M2C. Microchemical information was generated from EELS spectra. Suitable choice for estimating the microchemical state was discussed. To evaluate the behaviour of ageing an elemental ratio of Fe to Cr is employed.

关键词： Ferritic steels 2.25Cr-lMo steel EFTEM EELS Ageing

An Improvement on the Protein Extraction Procedure from Eggshell Membrane

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明胶科学与技术 2010年第4期30卷 181-182页

作者： Peng Ruo- ting Guo Yulong vienna lntemational School （Strasse der Menschenrechte 1 1220 Vienna Austria） Beijing Jiuzhoulongling Hi - tech Env. Prot. Mat. Company

1 IntroductionCollagen is a frequently occurring protein found in poultry, livestock and human body, esp. in the hair, skin, bone cartilage, tendon and so on. It forms the strongly insoluble fibers and serves as connective tissue supporting materials. Nowadays it became one of the most important raw materials of bio-engineering materials which are widely used in various fields including

关键词：蛋白质提取方法隔膜原料

Carbon nanotube-dependent synthesis of armchair graphene nanoribbons

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Nano Research 2022年第3期15卷 1709-1714页

作者： Yifan Zhang Kecheng Cao Takeshi Saito Hiromichi Kataura Hans Kuzmany Thomas Pichler Ute Kaiser Guowei Yang Lei Shi State Key Laboratory of Optoelectronic Materials and technologies Nanotechnology Research CenterGuangzhou Key Laboratory of Flexible Electronic Materials and Wearable DevicesSchool of Materials Science and EngineeringSun Yat-sen UniversityGuangzhou 510275China Central Facility for Electron Microscopy Electron Microscopy Group of Materials ScienceUlm UniversityUlm 89081Germany School of Physical Science and technology Shanghai Tech UniversityShanghai 201210China Nanomaterials Research Institute National Institute of Advanced Industrial Science and TechnologyTsukuba 305-8565Japan Faculty of Physics University of ViennaVienna 1090-AAustria

Sub-nanometer armchair graphene nanoribbons(GNRs)with moderate band gap have great potential towards novel *** can be synthesized in the confined tubular space of single-walled carbon nanotubes(SWCNTs),in which precursor molecules have been specifically designed to form the GNRs with certain width and ***,it is still unexplored how the diameter and metallicity of SWCNTs influence the synthesis of the ***,we applied a series of SWCNTs with different average diameters to study the diameter-dependent synthesis of *** using Raman spectroscopy and transmission electron microscopy,we found that the width of the GNRs can be tailored by the diameter of the ***,the SWCNTs with average diameter of 1.3 nm produced 6 and 7 armchair GNRs with the highest yield,which can be well explained by considering the width of the GNRs and van der Waals radius of hydrogen and carbon *** addition,semiconducting and metallic SWCNTs produced GNRs with different yields,which could attribute to different diameter distributions and density of *** results enable the possibility of a high-yield production of certain armchair graphene nanoribbons in large scale,which would benefit future applications as semiconductor with sub-nanometer in width.

关键词： armchair graphene nanoribbons single-walled carbon nanotubes Raman spectroscopy diameter dependence metallicity dependence

A Nonlinear Control Strategy for vienna Rectifier Under Unbalanced Input Voltage

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Transactions of Nanjing university of Aeronautics and Astronautics 2019年第5期36卷 703-714页

作者： REN Xiaoyong CHEN Yu TONG Dan ZHANG Zhiliang CHEN Qianhong Aero-Power Sci-tech Center College of Electronic EngineeringNanjing University of Aeronautics and Astronautics

The vienna rectifier with unbalanced input voltage and load transient is analyzed.A nonlinear control strategy for vienna rectifier under unbalanced input is *** the view of positive and negative sequence components,the proposed nonlinear control strategy suppresses the twice frequency ripple and guarantees the dynamic response characteristic at the same *** to the proposed nonlinear control strategy,the DC bus capacitor can be reduced a lot since the voltage ripple and drop can be suppressed.A 10 kW vienna rectifier is built to verify the proposed control *** applying the proposed nonlinear control strategy,the voltage ripple is only7 V and decreases over 75%over the traditional PI control when the unbalanced degree is 20%.The voltage drop can be reduced about 80%than former control strategy which is helpful to reduce the DC bus capacitor and achieve higher power *** volume of the capacitor can be reduced by 83.3%with the new control method.

关键词： vienna rectifier radars unbalanced input voltage nonlinear control strategy DC bus capacitance

Endoscope and neuronavigational assistance in acoustic neurinoma microsurgery

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中国微侵袭神经外科杂志 2002年第1期7卷 5-8页

作者： Christian Matula Neurosurgical Department,university of vienna,Medical School,Austria Neurosurgical Department University of Vienna Medical School Austria

The present report summarizes our experience using endoscopes and neuronavigational tech-niques as an assistance in minimally invasive tool in acoustic neurinoma *** on the experience in about 100cases done during the last5years using these additional techniques the significant benefit by using both techniques could be proven as absolutely *** our patient collective until now no compli-cations could been detected regarding the use of these options as well as the effectiveness was from very high ***,for one hand in detecting residual tumor as well as the possibility of controlling the re-sult after the resection using rigid angled endoscopes and for the other hand by the clear efficiency in us-ing neuronavigational systems in planning and performing the approach as well as doing safety drilling by removing the posterior part of the inner auditory *** remarks and recommendations of the technical equipment which has been used are given as well as personal experiences in the operating room set *** on our results and experience the use of this two well known techniques in addition to well trained microsurgical techniques can be highly recommended.

关键词：听神经瘤显微外科神经导航系统外科手术神经内镜

Land Suitability Evaluation for Agricultural Cropland in Mongolia Using the Spatial MCDM Method and AHP Based GIS

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Journal of Geoscience and Environment Protection 2017年第9期5卷 238-263页

作者： Munkhdulam Otgonbayar Clement Atzberger Jonathan Chambers D. Amarsaikhan Sebastian Bock Jargaltulga Tsogtbayar Institute of Geography-Geoecology Mongolian Academy of SciencesUlaanbaatarMongolia Institute of Surveying Remote Sensing and Land InformationDepartment of Landscape Spatial and Infrastructure ScienceUniversity of Natural Resources and Life SciencesViennaAustria Eng-Geo tech LLC UlaanbaatarMongolia

The purpose of this study was to prepare a cropland suitability map of Mongolia based on comprehensive landscape principles, including topography, soil properties, vegetation, climate and socio-economic factors. The primary goal was to create a more accurate map to estimate vegetation criteria (above ground biomass AGB), soil organic matter, soil texture, and the hydrothermal coefficient using Landsat 8 satellite imagery. The analysis used Landsat 8 imagery from the 2016 summer season with a resolution of 30 meters, time series MODIS vegetation products (MOD13, MOD15, MOD17) averaged over 16 days from June to August 2000-2016, an SRTM DEM with a resolution of 30 meters, and a field survey of measured biomass and soil data. In total, 6 main factors were classified and quality evaluation criteria were developed for 17 criteria, each with 5 levels. In this research the spatial MCDM (multi-criteria decision-making) method and AHP based GIS were applied. This was developed for each criteria layer’s value by multiplying parameters for each factor obtained from the pair comparison matrix by the weight addition, and by the suitable evaluation of several criteria factors affecting cropland. General accuracy was 88%, while PLS and RF regressions were 82.3% and 92.8%, respectively.

关键词： Land Suitability MCDM Boolean and Fuzzy Analysis AHP RF and PLS Regression

Nature：大规模研究揭示生命所必需的基因

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现代生物医学进展 2016年第31期16卷 I0002-I0003页

作者： Dickinson, Mary E. Flenniken, Ann M. Ji, Xiao Teboul, Lydia Wong, Michael D. White, Jacqueline K. Meehan, Terrence F. Weninger, Wolfgang J. Westerberg, Henrik Adissu, Hibret Baker, Candice N. Bower, Lynette Brown, James M. Caddle, L. Brianna Chiani, Francesco Clary, Dave Cleak, James Daly, Mark J. Denegre, James M. Doe, Brendan Dolan, Mary E. Edie, Sarah M. Fuchs, Helmut Gailus-Durner, Valerie Galli, Antonella Gambadoro, Alessia Gallegos, Juan Guo, Shiying Horner, Neil R. Hsu, Chih-Wei Johnson, Sara J. Kalaga, Sowmya Keith, Lance C. Lanoue, Louise Lawson, Thomas N. Lek, Monkol Mark, Manuel Arschall, Susan M. Mason, Jeremy McElwee, Melissa L. Newbigging, Susan Nutter, Lauryl M. J. Peterson, Kevin A. Ramirez-Solis, Ramiro Rowland, Douglas J. Ryder, Edward Samocha, Kaitlin E. Seavitt, John R. Selloum, Mohammed Szoke-Kovacs, Zsombor Tamura, Masaru Trainor, Amanda G. Tudose, Ilinca Wakana, Shigeharu Warren, Jonathan Wendling, Olivia West, David B. Wong, Leeyean Yoshiki, Atsushi MacArthur, Daniel G. Tocchini-Valentini, Glauco P. Gao, Xiang Flicek, Paul Bradley, Allan Skarnes, William C. Justice, Monica J. Parkinson, Helen E. Moore, Mark Wells, Sara Braun, Robert E. Svenson, Karen L. de Angelis, Martin Hrabe Herault, Yann Mohun, Tim Mallon, Ann-Marie Henkelman, R. Mark Brown, Steve D. M. Adams, David J. Lloyd, K. C. Kent McKerlie, Colin Beaudet, Arthur L. Bucan, Maja Murray, Stephen A. Dept Mol Physiol & Biophys Houston TX 77030 USA Toronto Ctr Phenogen Toronto ON M5T 3H7 Canada Mt Sinai Hosp Toronto ON M5G 1X5 Canada univ Penn Perelman Sch Med Genom & Computat Biol Program Philadelphia PA 19104 USA Med Res Council Harwell Mammalian Genet Unit Harwell OX11 0RD Oxon England Mary Lyon Ctr Harwell OX11 0RD Oxon England Hosp Sick Children Mouse Imaging Ctr Toronto ON M5T 3H7 Canada Wellcome Trust Sanger Inst Wellcome Trust Genome Campus Cambridge CB10 1SA England European Bioinformat Inst European Mol Biol Lab Wellcome Trust Genome Campus Cambridge CB10 1SD England Med univ vienna Ctr Anat & Cell Biol A-1090 Vienna Austria Hosp Sick Children 555 Univ Ave Toronto ON M5G 1X8 Canada Jackson Lab 600 Main St Bar Harbor ME 04609 USA univ Calif Davis Mouse Biol Program Davis CA 95618 USA Italian Natl Res Council CNR Inst Cell Biol & Neurobiol Monterotondo Mouse Clin I-00015 Monterotondo Italy Massachusetts Gen Hosp Analyt & Translat Genet Unit Boston MA 02114 USA Broad Inst MIT & Harvard Program Med & Populat Genet Cambridge MA 02142 USA German Res Ctr Environm Hlth Helmholtz Zentrum Munchen Inst Expt Genet D-85764 Neuherberg Germany German Mouse Clin D-85764 Neuherberg Germany Baylor Coll Med Dept Mol & Human Genet Houston TX 77030 USA Nanjing univ Nanjing Biomed Res Inst Collaborat Innovat Ctr Genet & Dev SKL Pharmaceut Biotechnol & Model Anim Res Ctr Nanjing 210061 Jiangsu Peoples R China univ Strasbourg ICS Infrastruct Natl PHENOMIN F-67404 Illkirch Graffenstaden France univ Strasbourg INSERM CNRS IGBMC F-67404 Illkirch Graffenstaden France RIKEN BioResource Ctr Tsukuba Ibaraki 3050074 Japan Childrens Hosp Oakland Res Inst Oakland CA 94609 USA IMPC San Anselmo CA 94960 USA tech univ Munich Sch Life Sci Weihenstephan Chair Expt Genet D-81675 Freising Weihenstephan Germany German Ctr Diabet Res DZD D-85764 Neuherberg Germany Francis Crick Inst Mill Hill Lab Mill Hill London NW1 1AT England univ Penn Perlman

在哺乳动物基因组中。大约三分之一的基因是生命所必需的。在一项新的研究中，来自美国贝勒医学院等多个机构的研究人员描述了这些基因的大规模发现。以及它将如何影响对哺乳动物发育和人类疾病的理解。相关研究结果在线发表在Nature期... 详细信息

在哺乳动物基因组中。大约三分之一的基因是生命所必需的。在一项新的研究中，来自美国贝勒医学院等多个机构的研究人员描述了这些基因的大规模发现。以及它将如何影响对哺乳动物发育和人类疾病的理解。相关研究结果在线发表在Nature期刊上，论文标题为“High—throughput discovery of novel developmental phenotypes”。

关键词：动物基因组生命哺乳动物研究人员人类疾病医学院