Molecular Dynamics Study of Interactions between the Water/ice Interface and a Nanoparticle in the Vicinity of a Solid Surface

References

• J. An, H. Lee, H. Kim, and H. Jeong, “Effect of process parameters on particle removal efficiency in poly(vinyl alcohol) brush scrubber cleaning,” Jpn. J. Appl. Phys., vol. 51, no. 2 PART 1, 2012. DOI:10.1103/PhysRevB.31.5262
   Web of Science ®Google Scholar
• K. Fujiwara and M. Shibahara, “A molecular dynamics study on wetting phenomena at a solid surface with a nanometer-scale slit pore,” Nano. Micro. Therm. Eng., vol. 17, no. 1, pp. 1–9, 2008. DOI: 10.1080/15567265.2012.745636.
   Google Scholar
• K. Miya, N. Fujiwara, M. Kato, and A. Izumi, “A new cleaning technology using the effect of freezing water on wafer surface,” Electrochem. Soc., vol. 41, no. 5, pp. 215–220, 2011. DOI: 10.1149/1.3630846.
   Google Scholar
• J. Jelassi et al., “Structural studies of water in hydrophilic and hydrophobic mesoporous silicas: an x-ray and neutron diffraction study at 297 K,” J. Chem. Phys., vol. 134, no. 6, pp. 064509, 2011. DOI: 10.1063/1.3530584.
   PubMed Web of Science ®Google Scholar
• K. Morishige and K. Nobuoka, “X-ray diffraction studies of freezing and melting of water confined in a mesoporous adsorbent (MCM-41),” J. Chem. Phys., vol. 107, no. 17, pp. 6965–6969, 1997. DOI: 10.1063/1.474936.
   Web of Science ®Google Scholar
• D. Akporiaye, E. W. Hansen, R. Schmidt, and M. Stoecker, “Water-saturated mesoporous MCM-41 systems characterized by 1H NMR,” J. Phys. Chem., vol. 98, no. 7, pp. 1926–1928, 1994. DOI: 10.1021/j100058a034.
   Web of Science ®Google Scholar
• E. W. Hansen, R. Schmidt, M. Stöcker, and D. Akporiaye, “Water-saturated mesoporous MCM-41 systems characterized by 1H NMR spin-lattice relaxation times,” J. Phys. Chem., vol. 99, no. 12, pp. 4148–4154, 1995. DOI: 10.1021/j100012a040.
   Web of Science ®Google Scholar
• E. W. Hansen, M. Stöcker, and R. Schmidt, “Low-temperature phase transition of water confined in mesopores probed by NMR. Influence on pore size distribution,” J. Phys. Chem., vol. 100, no. 6, pp. 2195–2200, 1996. DOI: 10.1021/jp951772y.
   Web of Science ®Google Scholar
• D. R. Uhlmann, B. Chalmers, and K. A. Jackson, “Interaction between particles and a solid-liquid interface,” J. Appl. Phys., vol. 35, no. 10, pp. 2986–2993, 1964. DOI: 10.1063/1.1713142.
   Web of Science ®Google Scholar
• A. W. Neumann, J. Szekely, and E. J. Rabenda Jr, “Thermodynamic aspects of particle engulfment by solidifying melts,” J. Colloid Interface Sci., vol. 43, no. 3, pp. 727–732, 1973. DOI: 10.1063/1.323217.
   Web of Science ®Google Scholar
• K. Tai, Y. Liu, and S. J. Dillon, “In situ cryogenic transmission electron microscopy for characterizing the evolution of solidifying water ice in colloidal systems,” Microsc. Microanal., vol. 20, no. 2, pp. 330–337, 2014. DOI: 10.1017/S1431927613014128.
   PubMed Web of Science ®Google Scholar
• J. A. Hayward and A. D. J. Haymet, “Ice/water interface: molecular dynamics simulations of the basal, prism,, and interfaces of ice Ih,” J. Chem. Phys., vol. 114, no. 8, pp. 3713–3726, 2001. DOI: 10.1063/1.1333680.
   Web of Science ®Google Scholar
• H. Nada and Y. Furukawa, “Anisotropy in growth kinetics at interfaces between proton-disordered hexagonal ice and water: A molecular dynamics study using the six-site model of H2O,” J. Cryst. Growth, vol. 283, no. 1–2, pp. 242–256, 2005. DOI: 10.1016/j.jcrysgro.2005.05.057.
   Web of Science ®Google Scholar
• N. Giovambattista, P. J. Rossky, and P. G. Debenedetti, “Effect of temperature on the structure and phase behavior of water confined by hydrophobic, hydrophilic, and heterogeneous surfaces,” J. Phys. Chem. B., vol. 113, pp. 13723–13734, 2009. DOI:10.1021/jp9018266.
   PubMed Web of Science ®Google Scholar
• Y. Naruke, S. Kosaka, T. Nakano, G. Kikugawa, and T. Ohara, “A molecular dynamics study on mass transport characteristics in the vicinity of SiO2-water/IPA interfaces,” Int. J. Heat Mass Transf., vol. 84, pp. 584–591, 2015. DOI:10.1016/j.ijheatmasstransfer.2015.01.051.
   Web of Science ®Google Scholar
• S. M. Melnikov, A. Höltzel, A. Seidel-Morgenstern, and U. Tallarek, “Adsorption of water-acetonitrile mixtures to model silica surfaces,” J. Phys. Chem. C, vol. 117, no. 13, pp. 6620–6631, 2013. DOI: 10.1021/jp312501b.
   Web of Science ®Google Scholar
• A. Okuda, T. Nagasawa, S. Okawa, and A. Saito, “Research on solidification of water on surface,” in 14th Int. Conf. Prop. Water Steam Kyoto Water, pp. 690–695, 2004.
   Google Scholar
• X. X. Zhang, M. Chen, and M. Fu, “Icing of water on polyethylene surfaces,” Appl. Surf. Sci., vol. 313, pp. 771–776, 2014. DOI:10.1016/j.apsusc.2014.06.070.
   Web of Science ®Google Scholar
• K. Fujiwara, S. Sasaki, and M. Shibahara, “A molecular dynamics study on effects of solidification phenomena on water molecules in the vicinity of a solid surface, ” Therm. Sci. Eng. (In Japanese), vol. 25, no. 4, pp. 9–16, 2016. DOI: 10.11368/tse.25.9.
   Google Scholar
• T. Schneider and E. Stoll, “Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions,” Phys. Rev. B, vol. 17, no. 3, pp. 1302–1322, 1978. DOI: 10.1103/PhysRevB.17.1302.
   Web of Science ®Google Scholar
• J. L. F. Abascal and C. Vega, “A general purpose model for the condensed phases of water: TIP4P/2005,” J. Chem. Phys., vol. 123, no. 23, pp. 234505, 2005. DOI: 10.1063/1.2121687.
   PubMed Web of Science ®Google Scholar
• F. H. Stillinger and T. A. Weber, “Computer simulation of local order in condensed phases of silicon,” Phys. Rev. B, vol. 31, no. 8, pp. 5262–5271, 1985. DOI: 10.1016/j.colsurfa.2004.04.005.
   PubMed Web of Science ®Google Scholar
• M. F. Harrach and B. Drossel, “Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinity,” J. Chem. Phys., vol. 140, no. 17, pp. 1–14, 2014. DOI: 10.1063/1.4872239.
   Web of Science ®Google Scholar
• S. Plimpton, “Fast parallel algorithms for short-range molecular dynamics,” J. Comput. Phys., vol. 117, no. 1, pp. 1–19, 1995. DOI: 10.1006/jcph.1995.1039.
   Web of Science ®Google Scholar
• K. Koga, H. Tanaka, and X. C. Zeng, “First-order transition in confined water between high-density liquid and low-density amorphous phases,” Nature, vol. 408, no. 6812, pp. 564–567, 2000. DOI: 10.1006/jcph.1995.1039.
   PubMed Web of Science ®Google Scholar
• R. García Fernández, J. L. F. Abascal, and C. Vega, “The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface,” J. Chem. Phys., vol. 124, no. 14, pp. 1–11, 2006. DOI: 10.1063/1.2183308.
   Web of Science ®Google Scholar
• S. Engemann et al., “Interfacial melting of ice in contact with SiO2,” Phys. Rev. Lett., vol. 92, no. 20, pp. 205701, 2004. DOI: 10.1103/PhysRevLett.92.205701.
   PubMed Web of Science ®Google Scholar
• R. A. Nistor, T. E. Markland, and B. J. Berne, “Interface-limited growth of heterogeneously nucleated ice in supercooled water,” J. Phys. Chem. B, vol. 118, no. 3, pp. 752–760, 2014. DOI: 10.1021/jp408832b.
   PubMed Web of Science ®Google Scholar
• A. A. Shibkov et al., “Morphology diagram of nonequilibrium patterns of ice crystals growing in supercooled water,” Phys. A Stat. Mech. Its Appl, vol. 319, pp. 65–79, 2003. DOI: 10.1016/S0378-4371(02)01517-0.
   Web of Science ®Google Scholar