Добірка наукової літератури з теми "Atomistic and Mesoscale"
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Статті в журналах з теми "Atomistic and Mesoscale"
Wang, Yuying, Zhen Li, Junbo Xu, Chao Yang, and George Em Karniadakis. "Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces." Soft Matter 15, no. 8 (2019): 1747–57. http://dx.doi.org/10.1039/c8sm02170h.
Повний текст джерелаReith, Dirk, Mathias Pütz, and Florian Müller-Plathe. "Deriving effective mesoscale potentials from atomistic simulations." Journal of Computational Chemistry 24, no. 13 (August 12, 2003): 1624–36. http://dx.doi.org/10.1002/jcc.10307.
Повний текст джерелаBurbery, Nathaniel, Raj Das, W. George Ferguson, Giacomo Po, and Nasr Ghoniem. "Atomistic Activation Energy Criteria for Multi-Scale Modeling of Dislocation Nucleation in FCC Metals." International Journal of Computational Methods 13, no. 04 (July 4, 2016): 1641006. http://dx.doi.org/10.1142/s0219876216410061.
Повний текст джерелаBulatov, Vasily, Farid F. Abraham, Ladislas Kubin, Benoit Devincre, and Sidney Yip. "Connecting atomistic and mesoscale simulations of crystal plasticity." Nature 391, no. 6668 (February 1998): 669–72. http://dx.doi.org/10.1038/35577.
Повний текст джерелаKinjo, T., and S. Hyodo. "Linkage between atomistic and mesoscale coarse-grained simulation." Molecular Simulation 33, no. 4-5 (April 2007): 417–20. http://dx.doi.org/10.1080/08927020601155436.
Повний текст джерелаUnnikrishnan, V. U., G. U. Unnikrishnan, J. N. Reddy, and C. T. Lim. "Atomistic-mesoscale coupled mechanical analysis of polymeric nanofibers." Journal of Materials Science 42, no. 21 (July 14, 2007): 8844–52. http://dx.doi.org/10.1007/s10853-007-1820-6.
Повний текст джерелаMaurel, Gaëtan, Florent Goujon, Benoit Schnell, and Patrice Malfreyt. "Prediction of structural and thermomechanical properties of polymers from multiscale simulations." RSC Adv. 5, no. 19 (2015): 14065–73. http://dx.doi.org/10.1039/c4ra16417b.
Повний текст джерелаMaltsev, Ilya, Alexandr Mirzoev, Denis Danilov, and Britta Nestler. "Atomistic and mesoscale simulations of free solidification in comparison." Modelling and Simulation in Materials Science and Engineering 17, no. 5 (June 16, 2009): 055006. http://dx.doi.org/10.1088/0965-0393/17/5/055006.
Повний текст джерелаNoro, Massimo G., Prem K. C. Paul, and Patrick B. Warren. "Linking Atomistic and Mesoscale Simulations of Water-Soluble Polymers." Journal of the American Chemical Society 125, no. 24 (June 2003): 7190–91. http://dx.doi.org/10.1021/ja0343914.
Повний текст джерелаMo, Zunli, Lijun Qiao, Yaling Sun, and Hejun Li. "Atomistic and mesoscale interface simulation of graphite nanosheet/AgCl/polypyrrole composite." Computational Materials Science 45, no. 4 (June 2009): 981–85. http://dx.doi.org/10.1016/j.commatsci.2008.12.020.
Повний текст джерелаДисертації з теми "Atomistic and Mesoscale"
Cai, Wei 1977. "Atomistic and mesoscale modeling of dislocation mobility." Thesis, Massachusetts Institute of Technology, 2001. http://hdl.handle.net/1721.1/8682.
Повний текст джерелаVita.
Includes bibliographical references (p. 297-320).
Dislocation is a line defect in crystalline materials, and a microscopic carrier of plastic deformation. Because dislocation has both a localized core and a long-range stress field, linking atomistic and meso scales is often the most challenging step in studying its dynamics. This Thesis presents theories and simulations of dislocations in Si and BCC transition metals, with emphasis on the atomistic-mesoscale coupling. Contributions are made in both methods development and mechanistic understanding of dislocation mobility. For atomistic studies of defects embedded in a mesoscale surrounding, we have given rigorous treatments of two types of boundary effects. A method is derived for quantifying artificial image energies in dislocation simulations with a periodic cell, in which a longstanding conditional convergence problem in lattice summation is resolved. We have also developed a systematic approach based on the linear response theory, which minimizes boundary wave reflections in molecular dynamics simulations without artificial damping. When predictive models are confronted with experiments at the level of mesoscale kinetics, the challenge is to properly incorporate atomistic details into a coarse-grained simulation.
(cont.) We have investigated dislocation core and kink mechanisms and obtained deeper understandings on the shuffle-glide controversy in Si and edge versus screw dislocations in BCC Mo, with some of these breakthroughs related to a better control of artificial boundary effects. The atomistic-mesoscale coupling is then manifested in our formulation of a kinetic Monte Carlo description of dislocation glide in Si at the mesoscale, based on kink mechanisms. As a result, the nature of "weak obstacles" to kink propagation, a long-standing postulate for interpreting low stress dislocation mobility data, is clarified. This model is then generalized to incorporate cross slip for modeling screw dislocation motion in a BCC lattice. Lastly, a physically-motivated procedure is derived for removing the stress singularity in mesoscale dislocation dynamics simulations.
by Wei Cai.
Ph.D.
Kibey, Sandeep A. "Mesoscale models for stacking faults, deformation twins and martensitic transformations : linking atomistics to continuum. /." 2007. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3290271.
Повний текст джерелаSource: Dissertation Abstracts International, Volume: 68-11, Section: B, page: 7621. Adviser: Huseyin Sehitoglu. Includes bibliographical references (leaves 117-130) Available on microfilm from Pro Quest Information and Learning.
Книги з теми "Atomistic and Mesoscale"
Allen, Michael P., and Dominic J. Tildesley. Mesoscale methods. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198803195.003.0012.
Повний текст джерелаЧастини книг з теми "Atomistic and Mesoscale"
Gelb, Lev D. "Simulation and Modeling of Aerogels Using Atomistic and Mesoscale Methods." In Aerogels Handbook, 565–81. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-7589-8_24.
Повний текст джерелаChennamsetty, N., H. Bock, M. Lísal, and J. K. Brennan. "An Introduction to Coarse-Graining Approaches: Linking Atomistic and Mesoscales." In Process Systems Engineering, 43–84. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2014. http://dx.doi.org/10.1002/9783527631209.ch53.
Повний текст джерелаChennamsetty, N., H. Bock, M. Lísal, and J. K. Brennan. "An Introduction to Coarse-Graining Approaches: Linking Atomistic and Mesoscales." In Process Systems Engineering, 43–84. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2011. http://dx.doi.org/10.1002/9783527631315.ch2.
Повний текст джерела"Studies on the Microstructure in Water–Surfactant Systems Using Atomistic and Mesoscale Simulations." In Molecular Modeling for the Design of Novel Performance Chemicals and Materials, 203–34. CRC Press, 2012. http://dx.doi.org/10.1201/b11590-11.
Повний текст джерела"Overcoming Large Time- and Length-Scale Challenges in Molecular Modeling: A Review of Atomistic to Mesoscale Coarse-Graining Methods." In Multiscale Modeling, 15–26. CRC Press, 2010. http://dx.doi.org/10.1201/b10454-5.
Повний текст джерелаТези доповідей конференцій з теми "Atomistic and Mesoscale"
Gautieri, Alfonso, Sebastien Uzel, Simone Vesentini, Alberto Redaelli, and Markus J. Buehler. "Osteogenesis Imperfecta: Molecular and Mesoscale Disease Mechanisms." In ASME 2009 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2009. http://dx.doi.org/10.1115/sbc2009-204530.
Повний текст джерелаJoshi, Kaushik, and Santanu Chaudhuri. "Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration." In SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. Author(s), 2017. http://dx.doi.org/10.1063/1.4971483.
Повний текст джерелаUzel, Sebastien, and Markus J. Buehler. "Molecular and Mesoscale Mechanisms of Osteogenesis Imperfecta Disease." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13160.
Повний текст джерелаLiu, Yaling, and Samir M. Iqbal. "A Mesoscale Model for Molecular Interaction in Functionalized Nanopores." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-68542.
Повний текст джерелаGray, Jessica, Soheil Fatehiboroujeni, and Sachin Goyal. "Robustness Analysis of Algorithms to Estimate Constitutive Laws of Biological Filaments." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-52113.
Повний текст джерелаЗвіти організацій з теми "Atomistic and Mesoscale"
Jiang, Chao, Jia-Hong Ke, Pierre-Clement Simon, Wen Jiang, and Larry Aagesen Jr. Atomistic and mesoscale simulations to determine effective diffusion coefficient of fission products in SiC. Office of Scientific and Technical Information (OSTI), October 2021. http://dx.doi.org/10.2172/1825508.
Повний текст джерела