Molecular dynamics simulations of nucleation of water droplets from vapor
Research topic
Nucleation, in which liquid droplets form from saturated vapor, is an important research subject that spans a wide range of science and engineering fields, including meteorology (formation of cloud particles) and engineering (formation of nanoparticles). However, condensation nuclei that initially form are the extremely small size of nanoparticles, so it is difficult to predict their rate of formation with good accuracy. We perform numerical experiments of the transition, through molecular dynamics simulations. Movies
My research interests are (1) theory of non-equilirium condensation, nucleation, and crystallization, (2) molecular dynamics (MD) simulations of droplet nucleation, bubble nucleation, and crystallization, and (3) evolutions of dust particles including nucleation, growth, and crystallization processes in the astrophysical environments (Non-equilibrium Condensation of Cosmic Dusts, Crystallization of Amorphous Silicate in Astrophysical Environments, Thermal Evolution of Dusts in Protoplanetary disks, ..)Publications
Kyoko K. Tanaka and Yuki Kimura, 'Theoretical analysis of crystallization by homogenous nucleation of water droplets', Physical Chemistry Chemical Physics, 21, 2410, 2019
Makiko Nagasawa, K. K. Tanaka, H. Tanaka, H. Nomura, T. Nakamoto, and H. Miura, 'Shock-Generating Planetesimals Perturbed by a Giant Planet in a Gas Disk', Astrophyscail Journal, accepeted.
Martina Lippe, Satrajit Chakrabarty, Jorge Ferreiro, Kyoko K. Tanaka, and Ruth Signorell, 'Water nucleation under extreme conditions', J. of Chemical Physics, 149, 244303, 2018 file selected as a 2018 JCP Editors’Choice collection!
Kyoko K. Tanaka, Juerg Diemand, Hidekazu Tnaka, and Raymond Angelil, ' Analyzing Multistep Homogeneous Nucleation in Vapor-to-solid Transition Using Molecular Dynamics Simulations', Phys. Rev. E, 96, 022804, 2017 file
Hitoshi Miura, Tetsuo Yamamoto, Hideko Nomura, Taishi Nakamoto, Kyoko Tanaka, Hidekazu Tanaka, and Makiko Nagasawa, 'Comprehensive study of thermal desorption of grain-surface species by accretion shocks around protostars', The Astrophysical J. 839, 47, 2017
Yuki Kimura, Kyoko K. Tanaka, Tanaka Nozawa, Shinsuke Takeuchi, and Yuko Inatomi, 'Pure iron grains are rare in the universe', Science Advances, 3, e1601992, 2017 file
Kyoko K. Tanaka, Hidekazu Tnaka, Raymond Angelil, and Juerg Diemand, 'Reply to ''Comment on 'Simple improvements to classical bubble nucleation models' '' ', Physical Review E, 94, 026802, 2016 file
Raymond Angelil, Juerg Diemand, Kyoko K. Tanaka, and Hidekazu Tnaka,
'Homogeneous sPC/E water nucleation in large molecular dynamics simulations',
J. Chem. Phys. 143, 0640507, 2015
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selected as a 2015 JCP Editors’Choice collection of 65 articles
Kyoko K. Tanaka, Hidekazu Tnaka, Raymond Angelil, and Juerg Diemand, 'Simple improvements to classical bubble nucleation models', Physical Review E, 92, 022401, 2015 file
Raymond Angelil, Juerg Diemand, Kyoko K. Tanaka, and Hidekazu Tnaka, 'Bubble evolution and properties in homogeneous nucleation simulations', Physical Review E, 90, 063301 (2014) file
Juerg Diemand, Raymond Angelil, Kyoko K. Tanaka, and Hidekazu Tnaka,
Direct simulations of homogeneous bubble nucleation:Agreement with classical nucleation theory and no local hot spots, Physical Review E, 90, 052407 (2014)
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selected as a Editors’suggestion
M. Nagasawa, K. K. Tanaka, H. Tanaka, T. Nakamoto, H. Miura, and T. Yamamoto, the Astrophysical J. Letters, 794:L7 (2014) 'Revisiting Jovian-Resonance Induced Chondrule Formation' file
Kyoko K. Tanaka, Jürg Diemand, Raymond Angélil, and Hidekazu Tanaka, Free energy of cluster formation and a new scaling relation for the nucleation rate, J. Chem. Phys. 140, 194310 (2014). file
Kyoko K. Tanaka, Akio Kawano and Hidekazu Tanaka, Molecular dynamics simulations of the nucleation of water: determining the sticking probability and formation energy of a cluster, J. Chem. Phys. 140, 114302 (2014) file
Raymond Angelil, Jürg Diemand, Kyoko K. Tanaka, and Hidekazu Tanaka, Properties of Liquid Clusters in Large-scale MD Nucleation Simulations, J. Chem. Phys. 140, 074303 (2014) file
Jürg Diemand, Raymond Angelil, Kyoko K. Tanaka, and Hidekazu Tanaka, Large Scale Molecular Dynamics Simulations of Homogeneous Nucleation, Journal of Chemical Physics, 2013, 139, 074309(15pp) file
K. K. Tanaka, T. Yamamoto, H. Miura, M. Nagasawa, T. Nakamoto, and H. Tanaka, the Astrophysical J., 2013, 764, 120(11pp) 'Evaporation of Icy Planetesimals due to Bow Shocks'
Y. Kimura, K. K. Tanaka, H. Miura, and K. Tsukamoto, Crystal Growth & Design, 2012, 12, 3278-3284, 'Direct observation of the homogeneous nucleation of manganese in the vapor phase and determination of surface free energy and sticking coefficient'
K. K. Tanaka, H. Tanaka, T. Yamamoto, and K. Kawamura, J. Chem. Phys., 2011, 134, 204313, ' Molecular dynamics simulation of nucleation from vapor to solid composed of Lennard-Jones molecules. '
fileK. K. Tanaka, H. Tanaka, T. Yamamoto, and K. Kawamura, Physics and Chemistry of Ice 2010, Hokkaido Univ. Press, 2011, pp 307-312, Molecular dynamics simulations of nucleation from vapor with Lennard-Jones type and H2O molecules.
H. Miura, K. K. Tanaka, T. Yamamoto, T. Nakamoto, J. Yamada, K. Tsukamoto, and J. Nozawa, Astrophysical J., 2010, 719, 642-654, ' Formation of cosmic crystals in highly-supersaturated silicate vapor produced by planetesimal bow shocks '
K. K. Tanaka, T. Yamamoto, and H. Kimura, Astrophysical J., 2010, 717, 586-596, ' Low-Temperature Crystallization of Amorphous Silicate in Astrophysical Environments '
T. Yamamoto, T. Chigai, H. Kimura, and K. K. Tanaka, Earth Planets and Space, 2010, 62, 23-27, 'Nonthermal crystallization of amorphous silicates in comets '
K. K. Tanaka, T. Yamamoto, K. Nagashima, and K. Tsukamoto, Journal of Crystal Growth, 2008, 310, 1281-1286, 'A New Method of Evaluation of Melt/Crystal Interfacial Energy and Activation Energy of Diffusion. '
K. Nagashima, Y. Moriuchi, K. Tsukamoto, K. K. Tanaka, H. Kobatake, Journal of Mineralogical and Petrological Sciences, 2008, 103, 204-208, 'Critical cooling rates for glass formation in Mg2SiO4-MgSiO3 chondrule melts during levitation.'
K. K. Tanaka, Y. Yamamoto, S. Watanabe, and K. Nakajima, Earth Planets and Space, 2008, 60,219-218, 'Analytic model of upper tropospheric clouds in tropical Harley cell. '
K. K. Tanaka, K. Kawamura, H. Tanaka, and K. Nakazawa, J. Chem. Phys., i122, 184514 1-10, 2005. 'Tests of the homogeneous nucleation theory with molecular dynamics simulation. I. Lennard-Jones type molecules.'
(file)K. K. Tanaka, H. Tanaka, and K. Nakazawa, Icarus, vol160, p.197-207, 2002 'Non-equilibrium condensation in a primordial solar nebula: formation of refractory metal nuggets'