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A New Approach for Error Reduction in the Volume Penalization Method

Communications in Computational Physics 2014年第10期16卷 1181-1200页

作者： Wakana Iwakami Yuzuru Yatagai Nozomu Hatakeyama yuji hattori Yukawa Institute for Theoretical Physics Kyoto UniversityOiwake-choKitashirakawaSakyo-kuKyoto 606-8502Japan. Advanced Research Institute for Science&Engineering Waseda University3-4-1 OkuboShinjukuTokyo 169-8555Japan. Department of Applied Information Sciences Graduate School of Information SciencesTohoku University6-3-09 AobaAramaki-azaAoba-kuSendaiMiyagi 980-8579Japan. NICHe Tohoku University6-6-10 AobaAramaki-azaAoba-kuSendaiMiyagi 980-8579Japan. Institute of Fluid Science Tohoku University2-1-1 KatahiraAoba-kuSendaiMiyagi980-8577Japan.

A new approach for reducing error of the volume penalization method is *** mask function is modified by shifting the interface between solid and fluid by√νηtoward the fluid region,whereνandηare the viscosity and the permeability,*** shift length√νηis derived from the analytical solution of the one-dimensional diffusion equation with a penalization *** effect of the error reduction is verified numerically for the one-dimensional diffusion equation,Burgers’equation,and the two-dimensional Navier-Stokes *** results show that the numerical error is reduced except in the vicinity of the interface showing overall second-order accuracy,while it converges to a non-zero constant value as the number of grid points increases for the original mask ***,the new approach is effective when the grid resolution is sufficiently high so that the boundary layer,whose width is proportional to√νη,is ***,the approach should be used when an appropriate combination ofνandηis chosen with a given numerical grid.

关键词： Volume penalization method immersed boundary method compact scheme error reduction.

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Erratum to:Influence of structural defects on charge density waves in 1T-TaS_(2)

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Nano Research 2024年第3期17卷 2204-2204页

作者： Iaroslav Lutsyk Karol Szalowski Pawel Krukowski Pawel Dabrowski Maciej Rogala Witold Kozlowski Maxime Le Ster Michal Piskorski Dorota A.Kowalczyk Wojciech Rys Rafal Dunal Aleksandra Nadolska Klaudia Toczek Przemyslaw Przybysz Ewa Lacinska Johannes Binder Andrzej Wysmolek Natalia Olszowska Jacek J.Kolodziej Martin Gmitra Takuma hattori yuji Kuwahara Guang Bian Tai-Chang Chiang Pawel J.Kowalczyk Faculty of Physics and Applied Informatics University of LodzPomorska 149/15390-236 LodzPoland Faculty of Physics University of WarsawPasteura 502-093 WarsawPoland Faculty of Physics Astronomyand Applied Computer ScienceJagiellonian UniversityLojasiewicza 1130-348 KrakowPoland National Synchrotron Radiation Centre SOLARIS Jagiellonian UniversityCzerwone Maki 9830-392 KrakówPoland Institute of Physics Faculty of SciencePavol JozefŠafárik University in KošicePark Angelinum 904001 KošiceSlovakia Institute of Experimental Physics Slovak Academy of SciencesWatsonova 4704001 KošiceSlovakia Department of Precision Engineering Graduate School of EngineeringOsaka University2-1 Yamada-okaSuita 565-0871Japan Department of Physics and Astronomy University of MissouriColumbiaMissouri 65211USA Department of Physics and Frederick Seitz Materials Research Laboratory University of Illinois at Urbana-ChampaignUrbanaIllinois 61801-3080USA

The name of the second author in original paper was unfortunately *** should be“Karol Szalowski”,instead of“Karoli Szalowski”.

关键词： structural charge defects

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Influence of structural defects on charge density waves in 1T-TaS_(2)

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Nano Research 2023年第8期16卷 11528-11539页

The influence of intrinsic defects of 1T-TaS_(2)on charge density waves(CDWs)is studied using scanning tunneling microscopy and spectroscopy(STM,STS),angle-resolved photoelectron spectroscopy(ARPES),and density functional theory(DFT).We identify several types of structural defects and find that most have a local character limited to a single CDW site,with a single exception which effectively behaves as a dopant,leading to band-bending and affecting multiple neighboring *** only one type of defect can be observed by STM topographic imaging,all defects are easily resolved in STS *** results indicate modulation of the Mott band gap commensurate with the CDW and breaking of the three-fold symmetry of electronic *** calculations(with included Coulomb interactions)are used to investigate the electronic structure,focusing on both sulfur vacancy and oxygen-sulfur *** sulfur vacancy system,characterized with a metallic behavior,is identified as the origin of one of the experimentally observed ***,the effect of oxidation of 1T-TaS_(2)depends on the substitution site,leading to the heterogeneity of electronic properties.

关键词： structural charge sulfur

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