Artículos de revistas sobre el tema "Atomistic and Mesoscale"
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Wang, Yuying, Zhen Li, Junbo Xu, Chao Yang y George Em Karniadakis. "Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces". Soft Matter 15, n.º 8 (2019): 1747–57. http://dx.doi.org/10.1039/c8sm02170h.
Texto completoReith, Dirk, Mathias Pütz y Florian Müller-Plathe. "Deriving effective mesoscale potentials from atomistic simulations". Journal of Computational Chemistry 24, n.º 13 (12 de agosto de 2003): 1624–36. http://dx.doi.org/10.1002/jcc.10307.
Texto completoBurbery, Nathaniel, Raj Das, W. George Ferguson, Giacomo Po y Nasr Ghoniem. "Atomistic Activation Energy Criteria for Multi-Scale Modeling of Dislocation Nucleation in FCC Metals". International Journal of Computational Methods 13, n.º 04 (4 de julio de 2016): 1641006. http://dx.doi.org/10.1142/s0219876216410061.
Texto completoBulatov, Vasily, Farid F. Abraham, Ladislas Kubin, Benoit Devincre y Sidney Yip. "Connecting atomistic and mesoscale simulations of crystal plasticity". Nature 391, n.º 6668 (febrero de 1998): 669–72. http://dx.doi.org/10.1038/35577.
Texto completoKinjo, T. y S. Hyodo. "Linkage between atomistic and mesoscale coarse-grained simulation". Molecular Simulation 33, n.º 4-5 (abril de 2007): 417–20. http://dx.doi.org/10.1080/08927020601155436.
Texto completoUnnikrishnan, V. U., G. U. Unnikrishnan, J. N. Reddy y C. T. Lim. "Atomistic-mesoscale coupled mechanical analysis of polymeric nanofibers". Journal of Materials Science 42, n.º 21 (14 de julio de 2007): 8844–52. http://dx.doi.org/10.1007/s10853-007-1820-6.
Texto completoMaurel, Gaëtan, Florent Goujon, Benoit Schnell y Patrice Malfreyt. "Prediction of structural and thermomechanical properties of polymers from multiscale simulations". RSC Adv. 5, n.º 19 (2015): 14065–73. http://dx.doi.org/10.1039/c4ra16417b.
Texto completoMaltsev, Ilya, Alexandr Mirzoev, Denis Danilov y Britta Nestler. "Atomistic and mesoscale simulations of free solidification in comparison". Modelling and Simulation in Materials Science and Engineering 17, n.º 5 (16 de junio de 2009): 055006. http://dx.doi.org/10.1088/0965-0393/17/5/055006.
Texto completoNoro, Massimo G., Prem K. C. Paul y Patrick B. Warren. "Linking Atomistic and Mesoscale Simulations of Water-Soluble Polymers". Journal of the American Chemical Society 125, n.º 24 (junio de 2003): 7190–91. http://dx.doi.org/10.1021/ja0343914.
Texto completoMo, Zunli, Lijun Qiao, Yaling Sun y Hejun Li. "Atomistic and mesoscale interface simulation of graphite nanosheet/AgCl/polypyrrole composite". Computational Materials Science 45, n.º 4 (junio de 2009): 981–85. http://dx.doi.org/10.1016/j.commatsci.2008.12.020.
Texto completoUnnikrishnan, V. U., D. Banerjee y J. N. Reddy. "Atomistic-mesoscale interfacial resistance based thermal analysis of carbon nanotube systems". International Journal of Thermal Sciences 47, n.º 12 (diciembre de 2008): 1602–9. http://dx.doi.org/10.1016/j.ijthermalsci.2007.10.012.
Texto completoShea, Joan-Emma. "Aggregation of the TAU Protein: Insights from Atomistic and Mesoscale Simulations". Biophysical Journal 114, n.º 3 (febrero de 2018): 185a. http://dx.doi.org/10.1016/j.bpj.2017.11.1032.
Texto completoShenogin, Sergei y Rahmi Ozisik. "Simulation of plastic deformation in glassy polymers: Atomistic and mesoscale approaches". Journal of Polymer Science Part B: Polymer Physics 43, n.º 8 (2005): 994–1004. http://dx.doi.org/10.1002/polb.20389.
Texto completoJhon, Myung S., Pil Seung Chung, Robert L. Smith y Lorenz T. Biegler. "A Description of Multiscale Modeling for the Head-Disk Interface Focusing on Bottom-Level Lubricant and Carbon Overcoat Models". Advances in Tribology 2013 (2013): 1–27. http://dx.doi.org/10.1155/2013/794151.
Texto completoPEREIRA, SIMÃO PEDRO, GIULIO SCOCCHI, RADOVAN TOTH, PAOLA POSOCCO, DANIEL R. NIETO, SABRINA PRICL y MAURIZIO FERMEGLIA. "MULTISCALE MODELING OF POLYMER/CLAY NANOCOMPOSITES". Journal of Multiscale Modelling 03, n.º 03 (septiembre de 2011): 151–76. http://dx.doi.org/10.1142/s1756973711000467.
Texto completoKIM, J. H., S. H. CHOI, D. H. JUNG, C. S. CHO y Y. J. CHOI. "A COARSE-GRAINED MODEL OF MONOOLEIN: COMPARISON WITH THE ATOMISTIC MODEL". International Journal of Nanoscience 08, n.º 01n02 (febrero de 2009): 169–73. http://dx.doi.org/10.1142/s0219581x09005918.
Texto completoIoannidou, Katerina, Konrad J. Krakowiak, Mathieu Bauchy, Christian G. Hoover, Enrico Masoero, Sidney Yip, Franz-Josef Ulm, Pierre Levitz, Roland J. M. Pellenq y Emanuela Del Gado. "Mesoscale texture of cement hydrates". Proceedings of the National Academy of Sciences 113, n.º 8 (8 de febrero de 2016): 2029–34. http://dx.doi.org/10.1073/pnas.1520487113.
Texto completoDufresne, Alice, Jack Arayro, Tingtao Zhou, Katerina Ioannidou, Franz-Josef Ulm, Roland Pellenq y Laurent Karim Béland. "Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste". Journal of Chemical Physics 149, n.º 7 (21 de agosto de 2018): 074705. http://dx.doi.org/10.1063/1.5042755.
Texto completoLininger, Christianna N., Nicholas W. Brady y Alan C. West. "Equilibria and Rate Phenomena from Atomistic to Mesoscale: Simulation Studies of Magnetite". Accounts of Chemical Research 51, n.º 3 (2 de marzo de 2018): 583–90. http://dx.doi.org/10.1021/acs.accounts.7b00531.
Texto completoHaslam, A. J., D. Moldovan, S. R. Phillpot, D. Wolf y H. Gleiter. "Combined atomistic and mesoscale simulation of grain growth in nanocrystalline thin films". Computational Materials Science 23, n.º 1-4 (abril de 2002): 15–32. http://dx.doi.org/10.1016/s0927-0256(01)00218-x.
Texto completoHüter, Claas, Chi-Dzu Nguyen, Robert Spatschek y Jörg Neugebauer. "Scale bridging between atomistic and mesoscale modelling: applications of amplitude equation descriptions". Modelling and Simulation in Materials Science and Engineering 22, n.º 3 (1 de abril de 2014): 034001. http://dx.doi.org/10.1088/0965-0393/22/3/034001.
Texto completoSun, Tiedong, Alexander Mirzoev, Vishal Minhas, Nikolay Korolev, Alexander P. Lyubartsev y Lars Nordenskiöld. "A multiscale analysis of DNA phase separation: from atomistic to mesoscale level". Nucleic Acids Research 47, n.º 11 (20 de mayo de 2019): 5550–62. http://dx.doi.org/10.1093/nar/gkz377.
Texto completoBeyerlein, I. J. y A. Hunter. "Understanding dislocation mechanics at the mesoscale using phase field dislocation dynamics". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 374, n.º 2066 (28 de abril de 2016): 20150166. http://dx.doi.org/10.1098/rsta.2015.0166.
Texto completoIwamoto, Nancy. "Studies of Mesoscale Models Parameterized by Molecular Models for Interface Failure in Epoxy Molding Compounds". International Symposium on Microelectronics 2011, n.º 1 (1 de enero de 2011): 000657–64. http://dx.doi.org/10.4071/isom-2011-wp1-paper1.
Texto completoGarcía-Negrón, Valerie, Akinola D. Oyedele, Eduardo Ponce, Orlando Rios, David P. Harper y David J. Keffer. "Evaluation of nano- and mesoscale structural features in composite materials through hierarchical decomposition of the radial distribution function". Journal of Applied Crystallography 51, n.º 1 (1 de febrero de 2018): 76–86. http://dx.doi.org/10.1107/s1600576717016843.
Texto completoSilbermann, Jörg R., Sabine H. L. Klapp, Martin Schoen, Naresh Chennamsetty, Henry Bock y Keith E. Gubbins. "Mesoscale modeling of complex binary fluid mixtures: Towards an atomistic foundation of effective potentials". Journal of Chemical Physics 124, n.º 7 (21 de febrero de 2006): 074105. http://dx.doi.org/10.1063/1.2161207.
Texto completoMarkutsya, Sergiy, Rodney O. Fox y Shankar Subramaniam. "Coarse-Graining Approach to Infer Mesoscale Interaction Potentials from Atomistic Interactions for Aggregating Systems". Industrial & Engineering Chemistry Research 51, n.º 49 (27 de noviembre de 2012): 16116–34. http://dx.doi.org/10.1021/ie3013715.
Texto completoGao, Jing, Jingyuan Yan, Beikai Zhao, Ze Zhang y Qian Yu. "In situ observation of temperature-dependent atomistic and mesoscale oxidation mechanisms of aluminum nanoparticles". Nano Research 13, n.º 1 (18 de diciembre de 2019): 183–87. http://dx.doi.org/10.1007/s12274-019-2593-3.
Texto completoRAHMAN, R. y A. HAQUE. "A PERIDYNAMICS FORMULATION BASED HIERARCHICAL MULTISCALE MODELING APPROACH BETWEEN CONTINUUM SCALE AND ATOMISTIC SCALE". International Journal of Computational Materials Science and Engineering 01, n.º 03 (septiembre de 2012): 1250029. http://dx.doi.org/10.1142/s2047684112500297.
Texto completoBuehler, Markus J. "Mesoscale modeling of mechanics of carbon nanotubes: Self-assembly, self-folding, and fracture". Journal of Materials Research 21, n.º 11 (noviembre de 2006): 2855–69. http://dx.doi.org/10.1557/jmr.2006.0347.
Texto completoCHAN, ELAINE R., LIN C. HO y SHARON C. GLOTZER. "MESOSCALE COMPUTER SIMULATIONS OF POLYMER-TETHERED ORGANIC/INORGANIC NANOCUBE SELF-ASSEMBLY". International Journal of Modern Physics C 20, n.º 09 (septiembre de 2009): 1443–56. http://dx.doi.org/10.1142/s0129183109014503.
Texto completoRoot, Seth, Thomas A. Haill, J. Matthew D. Lane, Aidan P. Thompson, Gary S. Grest, Diana G. Schroen y Thomas R. Mattsson. "Shock compression of hydrocarbon foam to 200 GPa: Experiments, atomistic simulations, and mesoscale hydrodynamic modeling". Journal of Applied Physics 114, n.º 10 (14 de septiembre de 2013): 103502. http://dx.doi.org/10.1063/1.4821109.
Texto completoSantangelo, Giuseppe, Andrea Di Matteo, Florian Müller-Plathe y Giuseppe Milano. "From Mesoscale Back to Atomistic Models: A Fast Reverse-Mapping Procedure for Vinyl Polymer Chains". Journal of Physical Chemistry B 111, n.º 11 (marzo de 2007): 2765–73. http://dx.doi.org/10.1021/jp066212l.
Texto completoKomarov, P. V., I. N. Veselov, P. P. Chu, P. G. Khalatur y A. R. Khokhlov. "Atomistic and mesoscale simulation of polymer electrolyte membranes based on sulfonated poly(ether ether ketone)". Chemical Physics Letters 487, n.º 4-6 (marzo de 2010): 291–96. http://dx.doi.org/10.1016/j.cplett.2010.01.049.
Texto completoKaratrantos, Argyrios, Nigel Clarke y Martin Kröger. "Modeling of Polymer Structure and Conformations in Polymer Nanocomposites from Atomistic to Mesoscale: A Review". Polymer Reviews 56, n.º 3 (8 de enero de 2016): 385–428. http://dx.doi.org/10.1080/15583724.2015.1090450.
Texto completoDomain, Christophe. "Multiscale Modelling of Microstructure Evolution under Radiation Damage of Steels Based on Atomistic to Mesoscale Methods". EPJ Web of Conferences 51 (2013): 02004. http://dx.doi.org/10.1051/epjconf/20135102004.
Texto completoMoldovan†, Dorel, Dieter Wolf‡ y Simon R. Phillpot. "Linking atomistic and mesoscale simulations of nanocrystalline materials: quantitative validation for the case of grain growth". Philosophical Magazine 83, n.º 31-34 (octubre de 2003): 3643–59. http://dx.doi.org/10.1080/14786430310001603382.
Texto completoBaimova, Julia A. y Sergey V. Dmitriev. "High-energy mesoscale strips observed in two-dimensional atomistic modeling of plastic deformation of nano-polycrystal". Computational Materials Science 50, n.º 4 (febrero de 2011): 1414–17. http://dx.doi.org/10.1016/j.commatsci.2010.11.024.
Texto completoPeter, Christine, Luigi Delle Site y Kurt Kremer. "Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal". Soft Matter 4, n.º 4 (2008): 859. http://dx.doi.org/10.1039/b717324e.
Texto completoBerthonneau, Jeremie, Amaël Obliger, Pierre-Louis Valdenaire, Olivier Grauby, Daniel Ferry, Damien Chaudanson, Pierre Levitz, Jae Jin Kim, Franz-Josef Ulm y Roland J. M. Pellenq. "Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks". Proceedings of the National Academy of Sciences 115, n.º 49 (15 de noviembre de 2018): 12365–70. http://dx.doi.org/10.1073/pnas.1808402115.
Texto completoKravchyk, Kostiantyn V., Laura Piveteau, Riccarda Caputo, Meng He, Nicholas P. Stadie, Maryna I. Bodnarchuk, Rainer T. Lechner y Maksym V. Kovalenko. "Colloidal Bismuth Nanocrystals as a Model Anode Material for Rechargeable Mg-Ion Batteries: Atomistic and Mesoscale Insights". ACS Nano 12, n.º 8 (7 de agosto de 2018): 8297–307. http://dx.doi.org/10.1021/acsnano.8b03572.
Texto completoHanson, D. E. "A mesoscale strength model for silica-filled polydimethylsiloxane based on atomistic forces obtained from molecular dynamics simulations". Journal of Chemical Physics 113, n.º 17 (noviembre de 2000): 7656–62. http://dx.doi.org/10.1063/1.1313536.
Texto completoGabriel, Joshua J., Noah H. Paulson, Thien C. Duong, Francesca Tavazza, Chandler A. Becker, Santanu Chaudhuri y Marius Stan. "Uncertainty Quantification in Atomistic Modeling of Metals and Its Effect on Mesoscale and Continuum Modeling: A Review". JOM 73, n.º 1 (26 de octubre de 2020): 149–63. http://dx.doi.org/10.1007/s11837-020-04436-6.
Texto completoReina, C., L. Sandoval y J. Marian. "Mesoscale computational study of the nanocrystallization of amorphous Ge via a self-consistent atomistic phase-field model". Acta Materialia 77 (septiembre de 2014): 335–51. http://dx.doi.org/10.1016/j.actamat.2014.06.009.
Texto completoRabias, Ioannis, Cyril Langlois, Astero Provata, Brendan J. Howlin y Doros N. Theodorou. "Linking the atomistic scale and the mesoscale: molecular orbital and solid state packing calculations on poly(p-phenylene)". Polymer 43, n.º 1 (enero de 2002): 185–93. http://dx.doi.org/10.1016/s0032-3861(01)00587-0.
Texto completoDe Nicola, Antonio, Toshihiro Kawakatsu, Camillo Rosano, Massimo Celino, Mattia Rocco y Giuseppe Milano. "Self-Assembly of Triton X-100 in Water Solutions: A Multiscale Simulation Study Linking Mesoscale to Atomistic Models". Journal of Chemical Theory and Computation 11, n.º 10 (28 de agosto de 2015): 4959–71. http://dx.doi.org/10.1021/acs.jctc.5b00485.
Texto completoLaurini, Erik, Domenico Marson, Maurizio Fermeglia y Sabrina Pricl. "In silico design of self-assembly nanostructured polymer systems by multiscale molecular modeling". Science, Technology and Innovation 6, n.º 3 (17 de septiembre de 2019): 1–10. http://dx.doi.org/10.5604/01.3001.0013.4795.
Texto completoChiu, Ming, Tak W. Kee y David M. Huang. "Coarse-Grained Simulations of the Effects of Chain Length, Solvent Quality, and Chemical Defects on the Solution-Phase Morphology of MEH-PPV Conjugated Polymers". Australian Journal of Chemistry 65, n.º 5 (2012): 463. http://dx.doi.org/10.1071/ch12029.
Texto completoChiu, Ming, Tak W. Kee y David M. Huang. "Corrigendum to: Coarse-Grained Simulations of the Effects of Chain Length, Solvent Quality, and Chemical Defects on the Solution-Phase Morphology of MEH-PPV Conjugated Polymers". Australian Journal of Chemistry 66, n.º 4 (2013): 505. http://dx.doi.org/10.1071/ch12029_co.
Texto completoTruszkowska, A. y M. Porfiri. "Molecular dynamics of ionic polymer-metal composites". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 379, n.º 2208 (30 de agosto de 2021): 20200408. http://dx.doi.org/10.1098/rsta.2020.0408.
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