Yasuoka Laboratory


Nucleation (Droplet, Bubble, Crystal)


Growth of Vapor Nuclei in a Liquid Phase


Molecular Dynamics Simulation of
Bubble formation
The same simulation showing only Bubbles

Related Articles

    • Matsubara, H., Ebisuzaki, T., and Yasuoka, K., "Microscopic insights into nucleation in a sulfuric acid-water vapor mixture based on molecular dynamics simulation", J. Chem. Phys., 130, 104705(2009). DOI : 10.1063/1.3082079
    • 松原裕樹, 泰岡顕治, 戎崎俊一, "少量の硫酸分子を含む不均質核生成の分子動力学シミュレーション", Thermal Science and Engineering, 16, 71-77(2008). DOI : 10.11368/tse.16.71
    • Sekine, M., Yasuoka, K., Kinjo, T., and Matsumoto, M., "Liquid-vapor nucleation simulation of Lennard-Jones fluid by molecular dynamics method", Fluid Dynamics Research, 40, 597-605(2008). DOI : 10.1016/j.fluiddyn.2007.12.012
    • Matsubara, H., Koishi, T., Ebisuzaki, T. and Yasuoka, K., "Extended study of molecular dynamics simulation of homogeneous vapor-liquid nucleation of water", J. Chem. Phys., 127, 214507(2007). DOI : 10.1063/1.2803899
    • Yasuoka, K., Zeng, X.C., "Molecular dynamics of homogeneous nucleation in the vapor phase of Lennard-Jones. III. Effect of carrier gas pressure", J. Chem. Phys., 126, 124320(2007). DOI : 10.1063/1.2712436
    • Koishi, T., Yasuoka, K., Ebisuzaki, T., Yoo, S., Zeng, X.C., "Large-scale molecular-dynamics simulation of nanoscale hydrophobic interaction and nanobubble formation", Journal of Chemical Physics, 123, 204707(2005). DOI : 10.1063/1.2102906
    • Koishi, T., Yoo, S., Yasuoka, K., Zeng, X.C., Narumi, T., Susukita, R., Kawai, A., Furusawa, H., Suenaga, A., Okimoto, N., Futatsugi, N., Ebisuzaki, T., "Nanoscale hydrophobic interaction and nanobubble nucleation", Physical Review Letters, 93, 185701(2004). DOI : 10.1103/PhysRevLett.93.185701
    • Ohmura, R., Ogawa, M., Yasuoka, K., Mori, Y.H., "Statistical study of clathrate-hydrate nucleation in a water/hydrochlorofluorocarbon system: Search for the nature of the "memory effect"", Journal of Physical Chemistry B, 107, 5289-5293(2003). DOI : 10.1021/jp027094e
    • Koishi, T., Yasuoka, K., Ebisuzaki, T., "Large scale molecular dynamics simulation of nucleation in supercooled NaCl", Journal of Chemical Physics, 119, 11298-11305(2003). DOI : 10.1063/1.1622371
    • Koishi, T., Yasuoka, K., Narumi, T., Susukita, R., Furusawa, H., Ebisuzaki, T., "Molecular dynamics study of the solidification process in alkali halide cluster", Journal of Non-Crystalline Solids, 312, 332-336(2002). DOI : 10.1016/S0022-3093(02)01710-6
    • Kholmurodov, K.T., Yasuoka, K., Zeng, X.C., "Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model", Journal of Chemical Physics, 114, 9578-9584(2001). DOI : 10.1063/1.1370057
    • Yasuoka, K. , Gao, G. T. , Zeng, X. C., "Molecular Dynamics Simulation of Supersaturated Vapor Nucleation in Slit Pore", Journal of Chemical Physics, 112, 4279-4285(2000). DOI : 10.1063/1.480973
    • Tanimura, S., Yasuoka, K., Ebisuzaki, T., "Molecular Dynamics Simulation of the Homogeneous Nucleation of UF6 Molecules: Configurations and Infrared Spectra of the Excited Hot Clusters", Journal of Chemical Physics, 112, 3812-3819(2000). DOI : 10.1063/1.480530
    • Ohguchi, K., Yasuoka, K., Matsumoto, M., "Molecular Mechanism of Vapor-Liquid Nucleation", Progress of Theoretical Physics Supplement, 138, 257-258(2000). DOI : 10.1143/PTPS.138.257
    • Kinjo, T., Ohguchi, K., Yasuoka, K., Matsumoto, M., "Computer Simulation of Fluid Phase Change: Vapor Nucleation and Bubble Formation Dynamics", Computational Materials Science, 14, 138-141(1999). DOI : 10.1016/S0927-0256(98)00088-3
    • M. Matsumoto, Yasuoka, K. and Ohguchi K., "Molecular Processes of Cluster Formation in Supersaturated Vapor", Thermal Science & Engineering, 7, 75-80(1999).in press.
    • Tanimura, S., Yasuoka, K., Ebisuzaki, T., "Molecular Dynamics Simulations of the Homogeneous Nucleation of UF6 and SF6 Molecules: Effects of the Intramolecular Vibrational Relaxations on the Nucleation Rates", Journal of Chemical Physics, 109, 4492-4497(1998). DOI : 10.1063/1.477052
    • Yasuoka, K., Matsumoto, M., "Molecular Dynamics Simulation of Homogeneous Nucleation in Supersaturated Water Vapor", Fluid Phase Equilbria, 44, 369-376(1998). DOI : 10.1016/S0378-3812(97)00281-1
    • Yasuoka K., Matsumoto M., "Molecular Dynamics of Homogeneous Nucleation in the Vapor Phase I. Lennard-Jones Fluid", Journal of Chemical Physics, 109, 8451-8462(1998). DOI : 10.1063/1.477509
    • Yasuoka K., Matsumoto M., "Molecular Dynamics of Homogeneous Nucleation in the Vapor Phase II. Water", Journal of Chemical Physics, 109, 8463-8470(1998). DOI : 10.1063/1.477510

    Related Presentations (International Conferences)

    • Donguk Suh and Kenji Yasuoka, "Molecular Dynamics Simulation of Heterogeneous Nucleation on Various Seed Shapes", 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, Sep., 2013.
    • Donguk Suh, Kenji Yasuoka, and Xiao Cheng Zeng, "Molecular Dynamics Simulation of Heterogeneous Nucleation on Nanorods", 19th International Conference on Nucleation and Atmospheric Aerosols, Fort Collins, USA, Jun., 2013.
    • Donguk Suh and Kenji Yasuoka, "Heterogeneous Nucleation on Nanorods and Nanotubes by Molecular Dynamics", 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, Apr., 2013.
    • Kh. Kholmurodov, E. Dushanov, R. Eremin, Donguk Suh, and Kenji Yasuoka, "Heterogeneous Water Vapor Nucleation Inside Carbon Nanopores", 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, Apr., 2013.
    • Suh Donguk, Gaku Machida, Kenji Yasuoka, "Molecular Dynamics Simulation on Homogeneous Nucleation of Methanol", 3rd International Forum on Heat Transfer, Nagasaki, Japan, Nov., 2012.
    • Suh Donguk, Kenji Yasuoka, "Heterogeneous Nucleation of Nanoscale Seed Particles by Molecular Dynamics", 9th Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design, Puerto Baras, Chile, Oct., 2012.
    • Suh Donguk, Kenji Yasuoka, "Heterogeneous Nucleation Analysis on a Cubic Seed by Molecular Dynamics", 15th Research Workshop: Nucleation Theory and Applications, Dubuna, Russia, Apr., 2012.
    • Donguk Suh, Kenji Yasuoka, "Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation", 8th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA, Mar., 2011.
    • Noriyoshi Arai, Kenji Yasuoka, Xiao Cheng Zeng, "Dissipative Particle Dynamics Simulation for Surfactant Solution in Confined System", The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials" (MSBSM2011), Kyoto, Japan, Sep., 2011.
    • Donguk Suh, Kenji Yasuoka, "Aerosol growth analysis based on various seed types by molecular dynamics", 8th Liquid Matter Conference, Wien, Austria, Sep., 2011.
    • Takaaki. Tsuzuki, Donguk Suh, Kenji Yasuoka, "Extended study of bubble nucleation using molecular dynamics simulation", 85th ACS Colloid and Surface Science Symposium, Montreal, Canada, Jun., 2011.
    • Donguk Suh, Kenji Yasuoka, "Molecular dynamics simulation on nanoparticle growth based on various seed types", 85th ACS Colloid and Surface Science Symposium, Montreal, Canada, Jun., 2011.
    • Donguk Suh, Kenji Yasuoka, "Heterogeneous Nucleation based Nanoparticle Growth Analysis by Molecular Dynamics", 15th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, Apr., 2011.
    • Kenji Yasuoka, "Molecular dynamics simulation for vapor-liquid homogeneous nucleation", The International Chemical Congress of Pacific Basin Societies, Hawaii, USA, Dec., 2010.
    • Donguk Suh, Kenji Yasuoka, "Seed Characteristics Analysis of Nanoparticle Growth by Heterogeneous Nucleation", The 21st IUPAC International Conference on Chemical Thermodynamics, Tsukuba, Japan, Aug., 2010.
    • Hiroki Matsubara, Kenji Yasuoka and Toshikazu Ebisuzaki, "Effect of Sulfuric Acid Molecules on Nucleation of Water Vapor : A Molecular Dynamics Study", 15th International Conference on the Properties of Water and Steam, Berlin, Germany, Sep., 2008.
    • Takahiro Koishi, Kenji Yasuoka, and Toshikazu Ebisuzaki, "Asymmetrical shape growth of liquid-solid nucleation", 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, Jun., 2006.
    • Hiroki Matsubara, Takahiro Koishi, Toshikazu Ebisuzaki, and Kenji Yasuoka, "Molecular dynamics study of homogeneous nucleation of water vapor", 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, Jun., 2006.
    • Kenji Yasuoka and Mitsuhiro Matsumoto, "Molecular Dynamics Simulation of Bubble Formation for Water", 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, Jun., 2006.
    • Hiroki Matsubara, Takahiro Koishi, Toshikazu Ebisuzaki, and Kenji Yasuoka, "Molecular Dynamics Study of Homogeneous Nucleation of Water Vapor", Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, Jun., 2006.
    • Takahiro Koishi, Kenji Yasuoka, and Toshikazu Ebisuzaki, "Molecular Dynamics Study of Shape Effect in Liquid-Solid Nucleation", Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, Jun., 2006.
    • Hiroki Matsubara, Takahiro Koishi, and Toshikazu Ebisuzaki, Kenji Yasuoka, "Molecular Dynamics Simulation of Heterogeneous Nucleation in the H2O/H2SO4 Vapor", International Symposium on Molecular Simulations -A symposium to mark the retirement of Professor Yasuaki Hiwatari-, Kanazawa, Japan, Mar., 2006.
    • Takahiro Koishi, Kenji Yasuoka, S. Yoo, X. C. Zeng, "Large Scale Molecular Dynamics Simulation of Nanobubble Formation by Nanoscale Hydrophobic Interaction", 6th Liquid Matter Conference, Utrecht, the Netherlands, Jul., 2005.
    • Kenji Yasuoka, "Molecular Dynamics Simulations of Cluster and Bubble Nucleation with Special-Purposes Molecular Dynamics Machine", International Workshop MSSMBS'04 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, Sep., 2004.
    • Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki, "Molecular Dynamics Simulation of Nucleation in NaCl and NaCl-KCl Mixture Systems", International Workshop MSSMBS'04 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, Sep., 2004.
    • Kenji Yasuoka, Yamato Okano, Tomoyuki Kinjo, and Mitsuhiro Matsumoto, "Molecular Dynamics Simulation of Bubble Nucleation for Liquid Water", 14th International Conference on the Properties of Water and Steam (14th ICPWS), Kyoto, Japan, Aug., 2004.
    • Takahiro Koishi, Kenji Yasuoka, and Tosikazu Ebisuzaki, "Molecular dynamics study of solid-liquid nucleation in alkali halide mixture", 16th International Conference on Nucleation and Atmospheric Aerosols (ICNAA16), Kyoto, Japan, Jul., 2004.
    • Takahiro Koishi, S. Yoo, Kenji Yasuoka., X. C. Zeng, Tetsu Narumi, Ryutaro Susukita, Atsushi Kawai, Hideaki Furusawa, Atsushi Suenaga, Noriaki Okimoto, Noriyuki Futatsugi and Toshikazu Ebisuzaki, "Nanobubble Formation and Hydrophobic Interaction in Between Patterned Nonpolar/Polar Nanoassemblies", 16th International Conference on Nucleation and Atmospheric Aerosols (ICNAA16), Kyoto, Japan, Jul., 2004.
    • Takahiro Koishi, Kenji Yasuoka, and T. Ebisuzaki, "Study of Nucleation of Supercooled Alkali Halide Mixture by Molecular Dynamics Simulation", Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tukuba, Japan, Jan., 2004.
    • Kenji Yasuoka, Yamato Okano, Tomoyuki Kinjo, and Mitsuhiroi Matsumoto, "Bubble Formation in Liquid Water", Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, Jan., 2004.
    • Takahiro Koishi, Kenji Yasuoka and Toshikazu Ebisuzaki, "Large scale molecular dynamics simulation of nucleation in alkali halide mixture", 77th ACS Colloid and Surface Science Symposium, Atlanta, USA, Jun., 2003.
    • Kholmirzo Kholmurodov, Kenji Yasuoka and X. C. Zeng, "Molecular Dynamics Studies of the Confined Heterogeneous Nucleation on a Graphitic Carbon Surface. Supersaturated Water System in a Slit Nanopore", 77th ACS Colloid and Surface Science Symposium, Atlanta, USA, Jun., 2003.
    • Takahiro Koishi, Kenji Yasuoka, X. C. Zeng, Tetsu Narumi, Ryutaro Susukita, Atsushi Kawai, Hideaki Furusawa, Toshikazu Ebisuzaki, "A large scale molecular dynamics simulation of water with hydrophobic wall system", 5th Liquid Matter Conference, Konstanz, Germany, Sep., 2002.
    • Kenji Yasuoka, "Molecular dynamics simulation of vapor-liquid nucleation", Annual Meeting of the International Association for the Properties of Water and Steam, Gaithersburg, Maryland, USA, Sep., 2001.
    • Takahiro Koishi, Kenji Yasuoka, Tetsu Narumi, Ryutoro Susukita, Hideaki Furusawa, Toshikazu Ebisuzaki, "MD simulation of solid-liquid phase transition for NaCl-KCl mixture with a special purpose computer (MDM)", Conference on Computational Physics (CCP2000), Gold Coast, Queensland, Australia, Dec., 2000.
    • A. V. V. Tran, Takahiro Koishi, Koji Ohguchi, Kenji Yasuoka, Tetsu Narumi, Rutaro Susukita, Toshikazu Ebisuzaki, "Molecular dynamics simulation for water-AgI with a special purpose computer (MDM)", Conference on Computational Physics (CCP2000), Gold Coast, Queensland, Australia, Dec., 2000.
    • Koji Ohguchi, Kenji Yasuoka, and Mitsuhiro Matsumoto, "Molecular Simulation of Seed-Induced Nucleation in Vapor Phase", Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, Aug., 2000.
    • K. Kholmurodov, Kenji Yasuoka, and X. C. Zeng, "MD Simulation Of Heterogeneous Vapor Nucleation On a Solid Surface", Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, Aug., 2000.
    • Shinobu Tanimura and Kenji Yasuoka, "Molecular Dynamics Simulation of the Homogeneous Nucleation of UF6 Molecules", Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, Aug., 2000.
    • Mitsuhiro Matsumoto, Koji Ohguchi, and Kenji Yasuoka, "Molecular Simulation of Ion-induced Nucleation in Water Vapor", Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, Aug., 2000.
    • Kenji Yasuoka, Koji Ohguchi, and Mitsuhiro Matsumoto, "Molecular Simulations of Vapor-Liquid Nucleation", La Jolla Advanced Topics Research School '99 [Invided talk], La Jolla, USA, Nov., 1999.
    • Koji Ohguchi, Kenji Yasuoka, and Mitsuhiro Matsumoto, "Vapor Nucleation of Binary System-Molecular Dynamics Simulation", 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, Jun., 1998.
    • Kenji Yasuoka and X. C. Zeng, "Computer Simulation of Vapor-Liquid Nucleation of Confined Fluid", 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, Jun., 1998.
    • Mitsuhiro Matsumoto, Kenji Yasuoka, Tomoyuki Kinjo, and Koji Ohguchi, "Molecular Dynamics Simulation as a Tool to Investigate Fluid Phase Nucleation Phenomena", 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, Jun., 1998.

    Related Presentations (Domestic Conferences)

    • 高井北斗,泰岡顕治, "Lennard-Jones 液体の結晶核生成過程における不純物の影響の解析", 日本物理学会2011年春期大会, 新潟, 日本, 2011年03月.
    • 高井北斗,泰岡顕治, " Lennard-Jones液体の結晶核生成過程における不純物分子特性の影響", 第25回分子シミュレーション討論会, 大岡山, 日本, 2011年12月.
    • D. Suh,K. Yasuoka, "Condensation on cubic seeds by molecular dynamics", 第25回分子シミュレーション討論会, 大岡山, 日本, 2011年12月.
    • 都築孝明, 泰岡顕治, "Lennard-Jones 流体の気泡核生成現象における分子動力学法と古典核生成理論の比較", 第24回分子シミュレーション討論会, 福井, 日本, 2010年11月.
    • Donguk Suh, 泰岡顕治, "Seed characteristics analysis for heterogeneous nucleation", 第24回分子シミュレーション討論会, 福井, 日本, 2010年11月.
    • 都築孝明, 泰岡顕治, "気泡核生成現象における核生成速度の計算方法の比較", 第30回日本熱物性シンポジウム, 山形, 日本, 2009年10月.
    • 関根希仁,泰岡 顕治,金城 友之,松本 充弘, "分子動力学法を用いたLennard-Jones流体の均一気泡核生成現象の解析", 第45回日本伝熱シンポジウム, つくば, 日本, 2008年05月.
    • 関根希仁,泰岡顕冶,金城友之,松本充弘, "分子動力学法を用いたレナードジョーンズ流体による気泡核生成現象のシミュレーション", 第56回理論応用力学講演会, 東京, 日本, 2007年03月.
    • 松原裕樹,古石貴裕,泰岡顕治,戎崎俊一, "水蒸気核生成のMD シミュレーション", 第20回分子シミュレーション討論会, 仙台, 日本, 2006年11月.
    • 松原裕樹,古石貴裕,泰岡顕治,戎崎俊一, "H2O-H2SO4クラスター生成のMDシミュレーション", 第19回分子シミュレーション討論会, 岡崎, 日本, 2005年11月.
    • 古石貴裕,S. Yoo,泰岡顕治,X. C. Zeng,戎崎俊一, "界面近傍における疎水効果による泡生成のシミュレーション", 日本物理学会第60回年次大会, 野田, 日本, 2005年03月.
    • 古石貴裕,S. Yoo,泰岡顕治,X. C. Zeng,戎崎俊一, "疎水効果による泡生成の分子動力学シミュレーション", 第18回分子シミュレーション討論会, 京都, 日本, 2004年12月.
    • 平井優花,岡野大和,泰岡顕治,金城友之,松本充弘, "会合性液体の気泡核生成の分子動力学シミュレーション", 第25回日本熱物性シンポジウム, 長野, 日本, 2004年10月.
    • 古石貴裕,泰岡顕治,戎崎俊一, "大規模分子動力学によるNaClの核生成", 埼玉工業大学若手研究フォーラム、第1回研究フォーラム「21世紀の新しい創造性を支えるハイ・テクノロジー」, 埼玉県岡部町, 日本, 2003年10月.
    • 古石貴裕,泰岡顕治,X. C. Zeng,戎崎俊一, "水-疎水板系の大規模分子動力学シミュレーション", 日本物理学会2003年秋季大会, 岡山, 日本, 2003年09月.
    • 古石貴裕,泰岡顕治,X.C.Zeng,戎崎俊一, "分子動力学専用機MDM を用いた水-疎水壁系の大規模シミュレーション", 第16回分子シミュレーション討論会, 新潟, 日本, 2002年12月.
    • 古石貴裕、泰岡顕治、戎崎俊一, "分子動力学によるNaClの核生成", 日本機械学会熱工学講演会, 沖縄, 日本, 2002年11月.
    • 古石貴裕, 泰岡顕治, 成見哲, 薄田竜太郎, 古沢秀明, 戎崎俊一, "NaCl-KCl混合系における結晶成長の分子動力学シミュレーション", 第15回分子シミュレーション討論会, 東京, 日本, 2001年12月.
    • 古石貴裕, 泰岡顕治, 成見哲, 薄田竜太郎, 古沢秀明, 戎崎俊一, "NaCl-KCl混合系の結晶成長のシミュレーションII", 日本物理学会第56回年会, 東京, 日本, 2001年03月.
    • 古石貴裕, 泰岡顕治, 成見哲, 薄田竜太郎, 古沢秀明, 戎崎俊一, "NaClの液体-固体相転移の分子動力学シミュレーション", 第14回分子シミュレーション討論会, 名古屋, 日本, 2001年01月.
    • 古石貴裕, 泰岡顕治, 成見哲, 薄田竜太郎, 古沢秀明, 戎崎俊一, "NaCl-KCl混合系の結晶成長のシミュレーション", 日本物理学会第55回年会, 新潟, 日本, 2000年09月.
    • 谷村志乃夫,泰岡顕治, "気相核生成におけるパターン形成のMDシミュレーション", 第13回分子シミュレーション討論会, 京都, 日本, 1999年12月.
    • 泰岡顕治,X.C.Zeng, "固体壁間における気相核生成の分子動力学", 第12回分子シミュレーション討論会, 筑波, 日本, 1998年12月.
    • 谷村志乃夫,泰岡顕治,戎崎俊一, "UF6クラスター生成過程のMDシミュレーション:過冷却状態におけるクラスターの幾何構造", 第12回分子シミュレーション討論会, 筑波, 日本, 1998年12月.
    • 松本充弘,大口晃司,泰岡顕治, "モンテカルロ法による核生成自由エネルギーの見積もりの試み", 第12回分子シミュレーション討論会, 筑波, 日本, 1998年12月.
    • 大口晃司,泰岡顕治,松本充弘, "二成分気相核生成の分子動力学シミュレーション", 第12回分子シミュレーション討論会, 筑波, 日本, 1998年12月.

    Yasuoka Laboratory