检索结果-南通市图书馆

npj Computational Materials 2022年第1期8卷 2199-2209页

作者： sebastian Hutsch Michel Panhans Frank Ortmann School of Natural Sciences Department of ChemistryTechnische Universität MünchenGarching b.MünchenGermany

The modeling of charge transport in organic semiconductors usually relies on the treatment of molecular vibrations by assuming a certain limiting case for all vibration modes,such as the dynamic limit in polaron theory or the quasi-static limit in transient localization *** opposite limits are each suitable for only a subset of ***,we present a model that combines these different *** is based on a separation of the vibrational spectrum and a quantum-mechanical treatment in which the slow modes generate a disorder landscape,while the fast modes generate polaron band *** apply the combined method to 20 organic crystals,including prototypical acenes,thiophenes,benzothiophenes,and their *** mobilities span several orders of magnitude and we find a close agreement to the experimental *** analysis reveals clear correlations to simple mobility predictors and a combination of them can be used to identify high-mobility materials.

关键词： theory semiconductors limit

Collisions and protein aggregations ahead: how aging affects ribosomal elongation dynamics

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Signal Transduction and Targeted Therapy 2022年第5期7卷 1369-1370页

作者： Pallab Maity sebastian Iben Department of Dermatology and Allergic Diseases Ulm UniversityUlmGermany

A recent study by Stein et al.1 deciphers how altered ribosomal elongation dynamics in aging contribute to a loss of protein homeostasis,***,the balance of protein synthesis,maintenance and degradation is severely affected in aging causing aging-associated neurodegenerative *** the contributions of disturbances in protein maintenance and degradation to the development of the disease have attracted much attention over the past decades,there is scant knowledge about protein synthesis dynamics in aging.

关键词： aging dynamics synthesis

The use of carbon nanomaterials in membrane distillation membranes:a review

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Frontiers of Chemical Science and Engineering 2021年第4期15卷 755-774页

作者： sebastian Leaper Ahmed Abdel-Karim Patricia Gorgojo Department of Chemical Engineering and Analytical Science School of EngineeringThe University of ManchesterManchesterM139PLUK Water Pollution Research Department National Research CentreGiza 12622Egypt

Membrane distillation(MD)is a thermal-based separation technique with the potential to treat a wide range of water types for various applications and *** challenges remain however,which prevent it from becoming commercially widespread including moderate permeate flux,decline in separation performance over time due to pore wetting and high thermal energy ***,its attractive characteristics such as high rejection(ca.100%)of nonvolatile species,its ability to treat highly saline solutions under low operating pressures(typically atmospheric)as well as its ability to operate at low temperatures,enabling waste-heat integration,continue to drive research interests *** particular interest is the class of carbon-based nanomaterials which includes graphene and carbon nanotubes,whose wide range of properties have been exploited in an attempt to overcome the technical challenges that MD *** low dimensional materials exhibit properties such as high specific surface area,high strength,tuneable hydrophobicity,enhanced vapour transport,high thermal and electrical conductivity and *** use in MD has resulted in improved membrane performance characteristics like increased permeability and reduced fouling *** have also enabled novel membrane capabilities such as in-situ fouling detection and localised heat *** this review we provide a brief introduction to MD and describe key membrane characteristics and fabrication *** then give an account of the various uses of carbon nanomaterials for MD applications,focussing on polymeric membrane *** research directions based on the findings are also suggested.

关键词： carbon nanomaterials graphene membrane distillation desalination carbon nanotubes

Modeling the dynamics of firms' technological impact

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2021年第12期30卷 111-120页

作者： Shuqi Xu Manuel sebastian Mariani Linyuan Lü Yangtze Delta Region Institute(Huzhou)&Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaHuzhou 313001China University Research Priority Program on Social Networks University of ZurichCH-8050 ZurichSwitzerland Beijing Computational Science Research Center Beijing 100193China

Recent studies in complexity science have uncovered temporal regularities in the dynamics of impact along scientific and other creative careers, but they did not extend the obtained insights to firms. In this paper, we show that firms' technological impact patterns cannot be captured by the state-of-the-art dynamical models for the evolution of scientists' research impact, such as the Q model. Therefore, we propose a time-varying returns model which integrates the empiricallyobserved relation between patent order and technological impact into the Q model. The proposed model can reproduce the timing pattern of firms' highest-impact patents accurately. Our results shed light on modeling the differences behind the impact dynamics of researchers and firms.

关键词： firm technological impact patent analysis impact dynamics

Contact Angle Determination in Multicomponent Lattice Boltzmann Simulations

在线全文

学校读者我要写书评

暂无评论

Communications in Computational Physics 2011年第5期9卷 1165-1178页

作者： sebastian Schmieschek Jens Harting Institute for Computational Physics University of StuttgartPfaffenwaldring 2770569 StuttgartGermany Department of Applied Physics Eindhoven University of TechnologyP.O.Box 5135600 MB EindhovenThe Netherlands

Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such *** this paper we focus on a popular implementation of a multicomponent model as introduced by Shan and ***,interactions between different components are implemented as repulsive forces whose strength is determined by model *** this paper we present simulations of a droplet on a hydrophobic *** investigate the dependence of the contact angle on the simulation parameters and quantitatively compare different approaches to determine *** show that the method is capable of modelling the whole range of contact *** find that the a priori determination of the contact angle is depending on the simulation parameters with an uncertainty of 10%to 20%.

关键词： Lattice Boltzmann Shan-Chen model contact angle droplets hydrophobic surface

An Optimised Surface Structure for Passive, Unidirectional Fluid Transport Bioinspired by True Bugs

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Bionic Engineering 2021年第2期18卷 375-386页

作者： sebastian Lifka Florian Hischen Johannes Heitz Werner Baumgartner Institute of Biomedical Mechatronics Johannes Kepler University LinzAltenberger Straße 694040 LinzAustria Institute of Applied Physics Johannes Kepler University LinzAltenberger Straße 694040 LinzAustria

Some true bug species use droplet-shaped,open-capillary structures for passive,unidirectional fluid transport on their body surface in order to spread a defensive fluid to protect themselves against *** this paper we investigated if the shape of the structures found on bugs(bug-structure)could be optimised with regard to better performance in unidirectional fluid ***,to use this kind of surface structure in technical applications where fluid surface interaction occurs,it is necessary to adapt the structure geometry to the contact angle between fluid and *** on the principal of operation of the droplet-shaped structures,we optimised the structure shape for better performance in targeted fluid flow and increase in flexibility in design of the structure *** adapt the structure geometry and the structure spacing to the contact angle,we implemented an equilibrium simulation of the,the structure surrounding,*** order to verify the functionality of the optimised structure,we designed and manufactured a *** testing this prototype with pure water used as fluid,the functionality of the optimised structure and the simulation could be *** kind of structure may be used on technical surfaces where targeted fluid transport is needed,*** of condensate in order to prevent the surface from mold growth,microfluidics,lab-on-a-chip applications and on microneedles for efficient drug/vaccine coating.

关键词： biomimetics true bugs liquid-surface interaction passive unidirectional fluid transport microfluidics lab-on-a-chip

A NEW APPROACH TO RECOVERY OF DISCONTINUOUS GALERKIN

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Computational Mathematics 2009年第6期27卷 697-712页

作者： sebastian Franz Lutz Tobiska Helena Zarin Institut für Numerische MathematikTechnische Universitt Dresden Institut für Analysis und NumerikOtto-von-Guericke Universitt Magdeburg Department of Mathematics and Informatics University of Novi SadTrg Dositeja Obradovica 421 000 Novi Sad

A new recovery operator P ：Qn^disc（T）→Qn＋1^disc（M） for discontinuous Galerkin is derived. It is based on the idea of projecting a discontinuous, piecewise polynomial solution on a given mesh T into a higher order polynomial space on a macro mesh M. In order to do so, we define local degrees of freedom using polynomial moments and provide global degrees of freedom on the macro mesh. We prove consistency with respect to the local L2-projection, stability results in several norms and optimal anisotropic error estimates. As an example, we apply this new recovery technique to a stabilized solution of a singularly perturbed convection-diffusion problem using bilinear elements.

关键词： Discontinuous Galerkin Postprocessing Recovery.

Reduced chemistries with the Quantemol database (QDB)

在线全文

学校读者我要写书评

暂无评论

Plasma Science and Technology 2019年第6期21卷 38-51页

作者： Adetokunbo AYILARAN Martin HANICINEC sebastian MOHR Jonathan TENNYSON Quantemol Ltd 320 City Rd London EC1V 2NZ United Kingdom Department of Physics and Astronomy University College London London WC1E 6BT United Kingdom

Typical feed gas mixtures used in technological and other plasmas may give rise to reaction networks involving several hundred *** chemistries are often too large to be used in full reactor simulations and it is therefore desirable to construct reduced chemistry networks which mimic as closely as possible the behavior of the full chemistry but employ far fewer individual reactions and *** chemistries are available from the Quantemol database (QDB) and two approaches to constructing reduced chemistry from these chemistries based on (a) physical intuition and (b) sensitivity analysis of dominant reaction pathways,are *** doing this it is necessary to consider different pressure and power *** chemistry sets are presented for CF4/O2/N2/H2,for which 396 reactions and 52 species are reduced to 71 reactions and 26 species,and for pure O2,for which 45 reactions and 10 species are reduced to 34 reactions.

关键词： plasma chemistries quantemol database chemical reactions chemistry reduction stoichiometry

Multi-material additive manufacturing-functionally graded materials by means of laser remelting during laser powder bed fusion

在线全文

学校读者我要写书评

暂无评论

Frontiers of Mechanical Engineering 2023年第4期18卷 183-193页

作者： Alexander SCHMIDT Felix JENSCH sebastian HÄRTEL Chair of Hybrid Manufacturing Brandenburg University of TechnologyCottbus 03046Germany

Many processes may be used for manufacturing functionally graded *** them,additive manufacturing seems to be predestined due to near-net shape manufacturing of complex geometries combined with the possibility of applying different materials in one *** adjusting the powder composition of the starting material layer by layer,a macroscopic and step-like gradient can be *** further improve the step-like gradient,an enhancement of the in-situ mixing degree,which is limited according to the state of the art,is *** this paper,a novel technique for an enhancement of the in-situ material mixing degree in the melt pool by applying laser remelting(LR)is *** effect of layer-wise LR on the formation of the interface was investigated using pure copper and low-alloy steel in a laser powder bed fusion *** cross-sectional selective electron microscopic analyses were carried *** applying LR,the mixing degree was enhanced,and the reaction zone thickness between the materials was ***,an additional copper and iron-based phase was formed in the interface,resulting in a smoother gradient of the chemical composition than the case without *** Marangoni convection flow and thermal diffusion are the driving forces for the observed effect.

关键词： multi-material additive manufacturing(MMAM) functionally graded materials(FGMs) laser powder bed fusion(L-PBF) laser remelting(LR) pure copper

A phononic rectifier based on carbon schwarzite host–guest system

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2020年第12期29卷 50-55页

作者： Zhongwei Zhang Yulou Ouyang Jie Chen sebastian Volz Center for Phononics and Thermal Energy Science School of Physics Science and EngineeringTongji UniversityShanghai 200092China China-EU Joint Laboratory for Nanophononics Tongji UniversityShanghai 200092China Institute of Industrial Science The University of TokyoTokyo 153-8505Japan Laboratory for Integrated Micro and Mechatronic Systems CNRS-IIS UMI 2820The University of TokyoTokyo 153-8505Japan

Thermal rectification is a promising way to manipulate the heat flow,in which thermal phonons are spectrally and collectively *** phononic devices are mostly relying on monochromatic phonons,in this work we propose a phononic rectifier based on the carbon schwarzite host–guest *** using molecular dynamic simulations,we demonstrate that the phononic rectification only happens at a specific frequency of the hybridized mode for the host–guest system,due to its strong confinement ***,a significant rectification efficiency,~134%,is observed,which is larger than most of the previously observed *** study of length and temperature effects on the phononic rectification shows that the monochromaticity and frequency of the rectified thermal phonons depend on the intrinsic anharmonicity of the host–guest system and that the on-center rattling configuration with weak anharmonicity is *** study provides a new perspective on the rectification of thermal phonons,which would be important for controlling monochromatic thermal phonons in phononic devices.

关键词： thermal rectification phonon thermal transport