Abnormal separation of the silicon-oxygen bond in the liquid layering transition of silicon dioxide in a nanoslit

被引:0
作者
Wang, Zhichao [1 ]
Li, Tao [1 ]
Duan, Yunrui [1 ]
Wu, Weikang [1 ]
Zhao, Zhenyang [1 ]
Liu, Yao [1 ]
Li, Hui [1 ]
机构
[1] Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Shandong, Peoples R China
基金
中国国家自然科学基金;
关键词
MOLECULAR-DYNAMICS SIMULATIONS; PHASE-TRANSITION; GLASS-TRANSITION; NANOPARTICLES; NUCLEATION; EVOLUTION; MELTS;
D O I
10.1039/c7cp06843c
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We investigated the unusual layering transition (LT) in quasi-2D liquid silicon dioxide (SiO2) confined in a nanoslit. Our results indicate that the slit size and pressure induce the abnormal LT in liquid SiO2, accompanied by a rapid change in the density, diffusion coefficient, pair correlation function and average potential energy. The silicon and oxygen atoms are almost completely separated under the extremely strong confinement effect, which is the characteristic feature of the LT. The negative slope of the LT lines in the phase diagram at different pressures suggests that a confinement-induced LT occurs at high pressure and a pressure-induced LT occurs at low pressure.
引用
收藏
页码:3724 / 3734
页数:11
相关论文
共 49 条
  • [1] Metal-to-semimetal transition in supercooled liquid silicon
    Ashwin, SS
    Waghmare, UV
    Sastry, S
    [J]. PHYSICAL REVIEW LETTERS, 2004, 92 (17) : 175701 - 1
  • [2] Liquid-liquid phase transition in Stillinger-Weher silicon
    Beaucage, P
    Mousseau, N
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (15) : 2269 - 2279
  • [3] Molecular-dynamics simulations of the thermal glass transition in polymer melts:: α-relaxation behavior
    Bennemann, C
    Paul, W
    Binder, K
    Dunweg, B
    [J]. PHYSICAL REVIEW E, 1998, 57 (01): : 843 - 851
  • [4] The liquid-liquid phase transition in silicon revealed by snapshots of valence electrons
    Beye, Martin
    Sorgenfrei, Florian
    Schlotter, William F.
    Wurth, Wilfried
    Foehlisch, Alexander
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2010, 107 (39) : 16772 - 16776
  • [5] Si nanotubes and nanospheres with two-dimensional polycrystalline walls
    Castrucci, Paola
    Diociaiuti, Marco
    Tank, Chiti Manohar
    Casciardi, Stefano
    Tombolini, Francesca
    Scarselli, Manuela
    De Crescenzi, Maurizio
    Mathe, Vikas Laxman
    Bhoraskar, Sudha Vasant
    [J]. NANOSCALE, 2012, 4 (16) : 5195 - 5201
  • [6] Liquid-liquid phase transition in an ionic model of silica
    Chen, Renjie
    Lascaris, Erik
    Palmer, Jeremy C.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2017, 146 (23)
  • [7] Thermal evolution of a platinum cluster encapsulated in carbon nanotubes
    Cheng, Daojian
    Wang, Wenchuan
    Huang, Shiping
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (04) : 1631 - 1637
  • [8] Polyamorphic Amorphous Silicon at High Pressure: Raman and Spatially Resolved X-ray Scattering and Molecular Dynamics Studies
    Daisenberger, Dominik
    Deschamps, Thierry
    Champagnon, Bernard
    Mezouar, Mohamed
    Cabrera, Raul Quesada
    Wilson, Mark
    McMillan, Paul F.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2011, 115 (48) : 14246 - 14255
  • [9] High-pressure x-ray scattering and computer simulation studies of density-induced polyamorphism in silicon
    Daisenberger, Dominik
    Wilson, Mark
    McMillan, Paul F.
    Quesada Cabrera, Raul
    Wilding, Martin C.
    Machon, Denis
    [J]. PHYSICAL REVIEW B, 2007, 75 (22)
  • [10] Pressure-induced amorphization and an amorphous-amorphous transition in densified porous silicon
    Deb, SK
    Wilding, M
    Somayazulu, M
    McMillan, PF
    [J]. NATURE, 2001, 414 (6863) : 528 - 530