Materials Modelling Lab - Publication

    MATERIALS MODELLING LAB
    Department of Materials Engineering
    School of Engineering
    The University of Tokyo

Index Research Publication & Presentation Member Awards Class Access

Journal Conference(int'l, abroad) Conference(in Japan) Workshop & Seminar Book

2024 2023 2021 2020 - 2016 2015 - 2011 2010 - 2006 2005 - 2001

Conference(international, abroad) (selected)

last update, 30 Sep, 2024

2024
129. Y. Shibuta*
"Atomisitic modeling of fcc to bcc transformation"
ISSS2024 (The 7th International Symposium on Steel Science 2024),
Kyoto, Japan, (scheduled).
(invited)

128. S. Oi*, R. Yoshida, Y. Shibuta
"Modelling the advection-BZ (Belousov-Zhabotinsky) reaction"
MMM11, Prague, Czech Republic, (2024).

127. R. Isozaki*, Y. Shibuta
"Molecular dynamic simulation of kinetics of fcc-bcc phase transformation
in the polycrystalline models of carbon steel"
MMM11, Prague, Czech Republic, (2024).

126. T. Yamamura*, Y. Shibuta
"Carbon concentration dependence of solid-liquid interfacial free energy of
Fe-C alloys calculated by metadynamics-based simulations."
MMM11, Prague, Czech Republic, (2024).

125. Y. Shibuta*, K. Sase, K. Noda, Q. Kong, A. Watanabe, R. Sato
"Prediction of microstructure and properties of metallic materials by
integrating molecular dynamics and deep generative models"
MMM11, Prague, Czech Republic, (2024).

124. Y. Shibuta*
"Prediction of material properties by integrating molecular dynamics
and machine learning approaches"
TMS2024, Orlando, FL, USA, (2024).
(invited)

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2023
124. Y. Shibuta*
"Crystal growth in Supercomputer: The cutting edge of
large-scale molecular dynamics simulation of metallic materials"
PRICM11, JeJu, South Korea, (2023).
(invited)

123. S. Osuga*, Y. Shibuta
"Molecular dynamics simulation of solidification microstructure formation
under large temperature gradient"
PRICM11, JeJu, South Korea, (2023).

122. K. Noda*, Y. Shibuta
"High-precision prediction of physical properties of molecular dynamic
simulation using graph neural networks "
PRICM11, JeJu, South Korea, (2023).

121. S. Osuga*, Y. Shibuta
"Formation of solidification microstructure at large temperature gradient
by molecular dynamics simulation"
CMSTF2023, Osaka, Japan (2023).

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2021
120. Y. Shibuta*
"Bridging the gap between molecular dynamics and phase-field simulations
for microstructure formation"
2021 International Conference on Phase-Field Method and Related Methods,
~~Xi'an, China~~, online, (2021).
(invited)

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2020 - 2016
119. T. Fujinaga, Y. Shibuta*
"Molecular dynamics approach to athermal heterogeneous nucleation
of solidification"
MCWASP XV, ~~Stockholm, Sweden~~, online (2020).

118. K. Ueno*, Y. Shibuta
"Solid-liquid interfacial energy of Fe-Cr alloy under temperature gradient
by molecular dynamics simulation"
MCWASP XV, ~~Stockholm, Sweden~~, online (2020).

117. Y. Shibuta*
"Microstructure formation from atomistic viewpoint"
TMS2020, San Diego, CA, USA, (2020).
(invited)

116. K. Ueno*, Y. Shibuta
"Solute partition at solid-liquid interface of binary alloy
by molecular dynamics simulation"
TMS2020, San Diego, CA, USA, (2020).

115. T. Fujinaga*, Y. Shibuta
"Molecular dynamics simulations of heterogeneous nucleation
from undercooled melt"
TMS2020, San Diego, CA, USA, (2020).

114. S. Fukuhara*, Y. Shibuta
"Running collective variable-driven hyper dynamics in parallel
to accelerate the simulation of initial stage of carbon nanotube growth"
2019 MRS Fall Meeting & Exhibit, Boston, USA, (2019).

113. K. Ueno*, Y. Shibuta
"Estimation of high-temperature properties of structure alloy
by molecular dynamics simulation"
2019 MRS Fall Meeting & Exhibit, Boston, USA, (2019).

112. Y. Shibuta*, S. Okita, E. Miyoshi, S. Sakane, T. Takaki, M. Ohno
"Grain growth kinetics by large-scale molecular dynamics simulation"
7th ReX&GG, Ghent, Belgium, (2019).
(invited)

111. E. Miyoshi*, T. Takaki, M. Ohno, Y. Shibuta
"Estimation of anisotropic grain boundary properties through data assimilation
for molecular dynamics and phase-field simulations"
7th ReX&GG, Ghent, Belgium, (2019).

110. Y. Shibuta*
"Bridging the gap between atomistic and
microstructure-scale simulations of solidification:
From a perspective of large-scale molecular dynamics simulation"
ICASP5-CSSCR5, Salzburg, Austria, (2019).
(Plenary Talk)

109. T. Fujinaga*, Y. Shibuta
"Molecular dynamics simulation of the heterogeneous nucleation
in aluminum melt inoculated with grain refiners"
ICASP5-CSSCR5, Salzburg, Austria, (2019).

108. K. Ueno*, Y. Shibuta
"Molecular dynamics simulation of solid-liquid interfacial properties for Fe-Cr alloy"
ICASP5-CSSCR5, Salzburg, Austria, (2019).

107. S. Fukuhara*, M. Misawa, F. Shimojo, Y. Shibuta
"Designing a catalyst for carbon nanotube growth by ab initio molecular dynamics
with respect to the carbon source molecule dissociation process"
2018 MRS Fall Meeting & Exhibit, Boston, USA, (2018).

106. Y. Shibuta*, S. Okita, S. Sakane, E. Miyoshi, T. Takaki, M. Ohno
"Microstructure formation in large-scale molecular dynamics simulation"
MMM2018, Osaka, Japan, (2018).
(invited)

105. L. Zhang*, Y. Shibuta, C. Lu
"Molecular dynamics simulation of interaction between
grain boundary and point defects"
MMM2018, Osaka, Japan, (2018).

104. L. Zhang*, Y. Shibuta, C. Lu
"Atomistic simulation of grain boundary behaviors
in nano-structured metals"
MSE2018, Darmstadt, Germany, (2018).

103. S. Fukuhara*, M. Misawa, F. Shimojo, Y. Shibuta
"Effect of catalytic species on ethanol dissociation
studied by ab initio molecular dynamics"
NT18, Beijing, China, (2018).

102. Y. Shibuta*, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
"Molecular dynamics approach to solidification microstructure"
CDSM2018 (co-located with TMS 2018), Phoenix, AZ, USA, (2018).
(invited)

101. E. Miyoshi*, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
"Statistical behavior of ideal grain growth:
an ultra-large-scale phase-field simulation study"
CDSM2018 (co-located with TMS 2018), Phoenix, AZ, USA, (2018).

100. M. Ohno*, T. Takaki, Y. Shibuta
"Variational formulation of a quantitative phase-field model for
non-isothermal solidification in multi-component alloys and its applications"
TMS2018, Phoenix, AZ, USA, (2018).

99. T. Takaki*, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Permeability prediction of dendrite structure
by large-scale phase-field lattice Boltzmann simulation"
TMS2018, Phoenix, AZ, USA, (2018).

98. S. Sakane*, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Multi-GPU phase-field simulation of growth, motion and collision of multiple dendrites"
TMS2018, Phoenix, AZ, USA, (2018).

97. Y. Shibuta*, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
"Heterogeneity in homogeneous nucleation from
billion-atom molecular dynamics simulation by multi-GPUs parallel computation"
2017 MRS Fall Meeting & Exhibit, Boston, USA, (2017).

96. Y. Shibuta*, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
"Molecular dynamics approach to nucleation and solidification"
MCSP2017, Beijing, China, (2017).
(invited)

95. S. Okita*, S. Sakane, E. Miyoshi, T. Takaki, M. Ohno, Y. Shibuta
"Grain growth in large-scale molecular dynamics simulation"
MCSP2017, Beijing, China, (2017).

94. M. Ohno*, T. Takaki, Y. Shibuta
"Quantitative phase-field modelling for alloy solidification and its applications"
MCSP2017, Beijing, China, (2017).
(invited)

93. T. Takaki*, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"2D and 3D phase-field lattice Boltzmann simulations
during directional solidification of a binary alloy with natural convection"
MCSP2017, Beijing, China, (2017).
(invited)

92. E. Miyoshi*, T. Takaki, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
"Phase-field study on the comparison of grain growth microstructures
from three-dimensional and cross-sectional observations"
MCSP2017, Beijing, China, (2017).

91. S. Sakane*, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Influence of forced flow on the oriented equiaxed dendrititic growth:
large-scale phase-field study"
MCSP2017, Beijing, China, (2017).

90. Y. Shibuta*, S. Sakane, E. Miyoshi, S. Okita, T. Takaki, M. Ohno
"Very large scale molecular dynamics simulation of solidification"
SP17 (6th Decennial International Conference on Solidification Processing)
Old Windsor, UK, (2017).
(invited)

89. T. Takaki*, M. Ohno, Y. Shibuta
"Large-scale phase-field simulations for dendrite solidification on a supercomputer"
SP17 (6th Decennial International Conference on Solidification Processing)
Old Windsor, UK, (2017).
(invited)

88. T. Takaki*, R. Rojas, S. Sakane, M. Ohno, Y. Shibuta
"Multi-phase-field-lattice Boltzmann model for polycrystalline
solidification with melt convection"
FEF 2017, Rome, Italy, (2017).

87. M. Ohno*, T. Takaki, Y. Shibuta
"Quantitative phase-field model coupled with lattice Boltzmann method
for simulations of practical alloy systems"
FEF 2017, Rome, Italy, (2017).

86. Y. Shibuta*, S. Okita, S. Sakane, T. Takaki, M. Ohno
"Atomic nature in solidification and grain growth
by large-scale molecular dynamics simulation on GPU supercomputer"
2016 MRS Fall Meeting & Exhibit, Boston, USA, (2016).

85. T. Takaki*, S. Sakane, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Large-scale phase-field-lattice Boltzmann simulations of dendrite growth
with natural convection by GPU supercomputer"
2016 MRS Fall Meeting & Exhibit, Boston, USA, (2016).

84. E. Miyoshi*, T. Takaki, S. Sakane, M. Ohno, Y. Shibuta, T. Aoki
"Phase-field study of ideal grain growth in ultra-large-scale polycrystalline systems"
2016 MRS Fall Meeting & Exhibit, Boston, USA, (2016).

83. M. Ohno*, T. Takaki, Y. Shibuta
"Thermodynamic consistency and numerical performance of
quantitative phase-field model for alloy solidification"
2016 MRS Fall Meeting & Exhibit, Boston, USA, (2016).

82. T. Takaki*, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
"Large-scale GPU computations of dendrite growth using phase-field method"
IUMRS-ICA 2016, Qingdao, China, (2016).
(invited)

81. M. Ohno*, T. Takaki, Y. Shibuta
"Quantitative phase-field modeling and simulations of
competitive growth of dendrites in alloy systems"
IUMRS-ICA 2016, Qingdao, China, (2016).
(invited)

80. S. Fukuhara*, F. Shimojo, Y. Shibuta
"Ab initio molecular dynamics study of dissociation of ethanol on nickel carbon cluster
in metal-catalyzed growth of carbon nanotubes"
NT16, Vienna, Austria, (2016).

79. Y. Shibuta*, S. Sakane, T. Takaki, M. Ohno
"Discussion on solidification and microstructure evolution
from atomistic point of view: large-scale molecular dynamics simulations"
PRICM9, Kyoto, Japan, (2016).
(invited)

78. T. Takaki*, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
"7.Large-scale phase-field simulations of dendrite growth using a GPU supercomputer"
PRICM9, Kyoto, Japan, (2016).
(invited)

77. M. Ohno*, T. Takaki, Y. Shibuta
"Quantitative phase-field simulations of solidification microstructures in alloy systems"
PRICM9, Kyoto, Japan, (2016).
(invited)

76. S. Sakane*, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Permeability prediction for columnar dendritic structures
by phase-field and lattice Boltzmann simulations"
PRICM9, Kyoto, Japan, (2016).

75. S. Sakane*, T. Takaki, M. Ohno, Y. Shibuta, T. Shimokawabe, T. Aoki
"Parallel-GPU computations of free growth of settling dendrite
by phase-field lattice Boltzmann method"
APCOM VI, Seoul, South Korea, (2016).

74. Y. Shibuta*, M. Ohno, T. Takaki
"Solidification in GPU supercomputer: linkage between atomistic and continuum scales"
CALPHAD XLV, Hyogo, Japan, (2016).
(invited)

73. Y. Shibuta*, S. Okita, S. Sakane, T. Takaki, M. Ohno
"Large-scale molecular dynamics simulation of solidification and grain growth"
CSSCR2016, Xi'an, China, (2016).
(invited)

72. T. Takaki*, M. Ohno, Y. Shibuta, S. Sakane, T. Shimokawabe, T. Aoki
"Large-scale 3D phase-field studies of competitive grain growth during directional solidification "
CSSCR2016, Xi'an, China, (2016).
(invited)

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2015 - 2011
71. Y. Shibuta*, S. Sakane, T. Takaki, M. Ohno
"Nucleation, solidification and grain growth in large-scale
molecular dynamics simulation performed on graphics processing unit"
2015 MRS Fall Meeting, Boston, USA, (2015).
(selected as Best Poster Award Nominee)

70. Y. Shibuta*, T. Takaki, S. Sakane, M. Ohno
"Large scale molecular dynamics simulation of solidification
and microstructure evolution"
IWMCG-8, Spa, Belgium, (2015).

69. Y. Shibuta*
"Large-scale molecular dynamics simulation of solidification"
CDSM 2015, Shenyang, China, (2015).
(invited)

68. Y. Shibuta*
"Discussion on carbon precursor dissociation at initial stage of
carbon nanotube growth"
CCTN15, Nagoya, Japan (2015).
(invited)

67. S. Sugiura*, Y. Shibuta, K. Shimamura, M. Misawa, F. Shimojo, S. Yamaguchi
"Ab Initio molecular dynamics simulation of oxygen adsorption
and electron transfer on SOFC cathode"
The ECS Conference on Electrochemical Energy Conversion & Storage with SOFC-XIV,
Glasgow, UK (2015).

66. M. Ohno*, T. Takaki, Y. Shibuta
"Microsegregation in multicomponent alloys analysed by
quantitative phase-field model"
MCWASP XIV 2015, Hyogo, Japan (2015).

65. R. Ueda, K. Tanaka, S. Miyoshi, Y. Shibuta, J. Nakano, S. Yamaguchi*
"High pressure transformation of Fe-Zn intermatallics at room temperature"
Galvatech 2015,
Toronto, Canada (2015).

64. M. Ohno*, T. Takaki, Y. Shibuta
"Quantitative phase-field modelling for solidification with coupled heat
and solute diffusion in multi-component alloys"
COUPLED PROBLEM 2015, San Sevolo, Venice, Italy (2015).

63. Y. Shibuta*
"Phase transition in nanoscale: molecular dynamics simulation of
solidification of metal nanodroplets"
EMN Meetings on Droplets, Phuket, Thailand (2015).
(invited)

62. Y. Shibuta*, K. Shimamura, T. Oguri, R. Arifin, F. Shimojo, S. Yamaguchi
"Ethanol decomposition on transition metal nanoparticles during carbon nanotube
growth: ab initio molecular dynamics study"
APS March Meeting 2015 , San Antonio, USA (2015).

61. Y. Shibuta*, K. Oguchi, M. Ohno
"Spontaneous evolution of anisotropy in solid nucleus during solidification of iron:
million-atom molecular dynamics simulation performed on graphic processing unit"
2014 MRS Fall Meeting, Boston, USA, (2014).

60. Y. Maekawa*, Y. Shibuta,T. Sakata
"Elucidation of semiconductor/bio-interface structure
by molecular dynamics simulation "
SSDM 2014, Tsukuba, Japan, (2014).

59. R. Arifin*, Y. Shibuta, K. Shimamura, T .Oguri, F. Shimojo, S. Yamaguchi
"ab initio Molecular Dynamics Study of Ethylene Dehydrogenation on Nickel (111) Surface"
IUMRS-ICA 2014, Fukuoka, Japan (2014).

58. T. Oguri, K. Shimamura, Y. Shibuta*, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study of bond dissociation mechanism of ethanol
during carbon nanotube growth via CVD process"
NT14 , Los Angeles, USA (2014).

57. Y. Shibuta*, K. Shimamura, T. Oguri, R. Arifin, W. Hashizume, F. Shimojo, S. Yamaguchi
"Role of catalytic metals on formation process of carbon nanotube and graphene:
ab initio molecular dynamics study"
APS March Meeting 2014 , Denver, USA (2014).

56. Y. Shibuta*, R. Arifin, K. Shimamura, T. Oguri, F. Shimojo, S. Yamaguchi
"Understanding initial dissociation of carbon source molecules on metal surface
during CVD growth of graphene: ab initio molecular dynamics simulation"
2013 MRS Fall Meeting, Boston, USA, (2013).

55. T. Oguri*, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
"Unraveling dissociation of ethanol molecules in initial stage of carbon nanotubes growth
via an ACCVD technique :ab initio molecular dynamics simulation "
2013 MRS Fall Meeting, Boston, USA, (2013).

54. T. Oguri*, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study of dissociation of ethanol molecules
on the nickel cluster in initial stage of carbon nanotubes growth"
JCREN2013, Hiroshima, Japan, (2013).

53. Y. Shibuta*, K. Shimamura, T. Oguri, R. Arifin, W. Hashizume, F. Shimojo, S. Yamaguchi
"Understanding initial dissociation process of carbon source molecules during nanotubes
and graphene synthesis: Ab initio molecular dynamics simulations"
CCTN13, Tallinn, Estonia (2013).

52. T. Oguri*, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study on the role of nickel cluster as catalytic metal
in carbon nanotubes synthesis"
CCTN13, Tallinn, Estonia (2013).

51. T. Oguri*, K. Shimamura, Y. Shibuta, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study of dissociation of ethanol on nickel cluster
in metal-catalyzed growth of carbon nanotubes"
NT13, Espoo, Finland (2013).
(selected as Poster Award)

50. R. Arifin*, Y. Shibuta, K. Shimamura, F. Shimojo, S. Yamaguchi
"Graphene growth on Ni (111) surface: ab initio molecular dynamics simulation"
NT13, Espoo, Finland (2013).

49. W. Hashizume*, K. Shimamura, R. Arifin, T. Oguri, Y. Shibuta, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study of the effect of water on carbon nanotube growth"
NT13, Espoo, Finland (2013).

48. Y. Shibuta*, R. Arifin, K. Shimamura, T. Oguri, F. Shimojo, S. Yamaguchi
"Ab initio molecular dynamics study of dissociation of methane on nickel surface
in graphene synthesis via a CVD technique"
NT13, Espoo, Finland (2013).

47. Y. Shibuta*, K. Oguchi, T. Suzuki
"Large-scale molecular dynamics simulation of evolution of grain boundary groove
performed on graphic processing unit"
2012 MRS Fall Meeting & Exhibit, Boston, USA, (2012).

46. Y. Shibuta*
"Understanding phase transformation in metal nanoparticles from atomic viewpoint"
ICEAN-2012, Brisbane, Australia (2012).
(invited)

45. T. Satoh*, Y. Shibuta, M. Kurata, H. Ohta
"Experimental evaluation of the morphological diagram
in uranium electrodeposition in LiCl-KCl eutectic melts"
NuMat 2012, Osaka, Japan (2012).

44. K. Shimamura*, Y. Shibuta, S. Ohmura, F. Shimojo, S. Yamaguchi
"Ab initio study of dissociation reaction of ethylene molecules on nickel cluster "
CCP2012, Kobe, Japan (2012).

43. L.-W. Chen*, Y. Shibuta, M. Kambara, T. Yoshida
"Nanocluster dynamic simulation during high rate epitaxial deposition
under mesoplasma condition"
11th APCPST + 25th SPSM, Kyoto, Japan (2012).

42. Y. Shibuta*
"Numerical approach to the role of metal atoms during carbon nanotube growth"
IUMRS-ICYRAM 2012, Singapore (2012).
(invited)

41. L.-W. Chen*, Y. Shibuta, M. Kambara, T. Yoshida
"Molecular dynamics study of nanoclusters' role in mesoplasma epitaxy"
IUMRS-ICA 2011, Taipei (2011).
(received the Outstanding Poster Award)

40. Y. Shibuta*
"Numerical modelling of metal-catalyzed growth process of carbon nanotube
and related properties of catalytic metal nanoparticles"
CCTN11, Cambridge, UK (2011).
(invited)

39. Y. Shibuta*, J.A. Elliott
"Interaction between two graphene sheets with a turbostratic orientational relationship"
NT11, Cambridge, UK (2011).

38. T. Suzuki*, Y. Shibuta, S. Ou,
"Numerical simulation of solidification macrostructures using a moving particle method"
STEEL SIM 2011 (4th International Conference on Modelling and Simulation of
Metallurgical Processes in Steelmaking), Dusseldolf, Germany, (2011).

37. L.-W. Chen*, Y. Shibuta, M. Kambara, T. Yoshida
"Molecular dynamics simulation of Si nano-clusters in mesoplasma high rate
and low temperature epitaxy"
2011 MRS Spring Meeting, San Francisco, USA, (2011).

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2010 - 2006
36. Y. Shibuta*, Y. Watanabe, T. Suzuki
"A molecular dynamics study of growth and melting of semi-spherical bcc-iron nanoparticles
on a substrate contacting undercooled liquid iron"
2010 MRS Fall Meeting, Boston, USA, (2010).

35. Y. Shibuta*, S. Unoura, T. Sato, H. Shibata, M. Kurata, T. Suzuki
"A phase-field simulation of uranium dendrite growth on cathode in electrorefining process"
NuMat 2010, Karlsruhe, Germany, (2010).

34. Y. Shibuta*
"A numerical approach to the metal-catalyzed growth process of carbon nanotubes"
Diamond 2010, Budapest, Hungary, (2010).

33. E.C. Neyts*, Y. Shibuta, A.C.T. van Duin, A. Bogaerts
"Catalyzed growth of carbon nanotubes by hybrid molecular dynamics /
force biased Monte Carlo simulations"
NT10, Montreal, Canada, (2010).

32. E.C. Neyts*, Y. Shibuta, A. Bogaerts
"Unravelling the nucleation of SWNTs: Bond switching regimes
in nickel and nickel-carbon nanoclusters"
NT10, Montreal, Canada, (2010).

31. Y. Shibuta*, T. Suzuki
"Molecular dynamics study of phase transition in substrate-supported nanoparticles of bcc metals"
APS March Meeting 2010, Portland, OR, USA (2010).

30. Y. Watanabe, Y. Shibuta, T. Suzuki
"A molecular dynamics study of the growth and melting of metal nanoparticles in melt"
2009 MRS Fall Meeting, Boston, USA (2009).

29. Y. Okajima, Y. Shibuta, T. Suzuki
"Phase-field simulation of dendrite growth in electrodeposition"
216th ECS Meeting, Vienna, Austria (2009).

28. Y. Shibuta, J.A. Elliott
"Numerical modelling of the metal-catalyzed growth process of carbon nanotubes"
NT09, Beijing, China (2009).

27. J.A. Elliott, Y. Shibuta
"A computational study of the graphitization ability of transition metal catalysts
for carbon nanotube synthesis"
NT09, Beijing, China (2009).

26. S. Tateyama, Y. Shibuta, T. Suzuki
"Kinetics of the fcc-bcc phase transformation iron by molecular dynamics"
Asia Steel 2009, Busan, Korea (2009).

25. Y. Watanabe, Y. Shibuta, T. Suzuki
"A molecular dynamics study of the kinetics of the solid-liquid interface of iron"
Asia Steel 2009, Busan, Korea (2009).

24. Y. Shibuta, T. Suzuki
"Molecular dynamics study of the phase transition in the bcc metal nanoparticles"
APS March Meeting 2009, Pittsburgh, USA (2009).

23. Y. Shibuta, J.A. Elliott
"A molecular dynamics study of the graphitization ability of transition metals for catalysis
of carbon nanotube growth via chemical vapor deposition"
2008 MRS Fall Meeting, Boston, USA (2008).

22. S. Tateyama, Y. Shibuta, T. Suzuki
"A molecular dynamics study of fcc-bcc phase transformation kinetices of iron"
2008 MRS Fall Meeting, Boston, USA (2008).

21. Y. Okajima, Y. Shibuta, T. Suzuki
"Electric current and electrode potential in phase-field modeling"
PRiME 2008(Pacific Rim Meeting on electrochemical and solid-state science), Hawaii, USA (2008).

20. J.A. Elliott, Y. Shibuta
"Multiscale modeling of early stage growth of CNTs produced by a catalytic CVD process"
APS March Meeting 2008, New Orleans, USA (2008).

19. Y. Shibuta, T. Suzuki
"A molecular dynamics study of the melting and nucleation of iron nanoparticles"
APS March Meeting 2008, New Orleans, USA (2008).

18. Y. Onaka, K. Tani, Y. Takata, M. Kohno, S. Suzuki, S. Maruyama, Y. Shibuta
"Synthesis of single-walled carbon nanotubes by laser vaporized catalytic CVD technique"
9th International Conference on Laser Ablation (COLA 2007), Tenerife, Spain (2007).

17. J.A. Elliott, Y. Shibuta
"Multiscale model for the early stage growth of CNTs produced by a catalytic CVD process"
NT07, Ouro Preto, Brazil, (2007).

16. S. Yamamoto, K. Tani, Y. Onaka, Y. Takata, S. Suzuki, Y. Shibuta, S. Maruyama, M. Kohno
"Synthesis of single walled carbon nanotubes by laser vaporized catalytic
chemical vapor deposition technique"
2007 ASME-JSME Thermal Engineering Conference and Summer Heat Transfer Conference,
Vancouver, Canada (2007).

15. Y. Okajima, Y. Shibuta, T. Suzuki
"Phase-field simulation of an electrodeposition process"
16th Iketani Conference, Tokyo, Japan (2006).

14. S. Hirama, Y. Shibuta, S. Maruyama
"Molecular Dynamics Simulation of a Nucleation Process of an SWNT in Alcohol
Catalytic CVD Technique"
NT06, Nagano, Japan, (2006).

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2005 - 2001
13. S. Maruyama, Y. Shibuta
"Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes"
Computational Challenges and Tools for Nanotubes, Gothenburg, Sweden (2005) .

12. Y. Shibuta, S. Maruyama
"Molecular Dynamics Simulation of Initial Nucleation Process of SWNT
from a Metal Particle on a Substrate"
NT05, Gothenburg, Sweden, (2005).

11. Y. Shibuta, S. Maruyama
"Molecular Dynamics Simulation of Nucleation Process of SWNT
from a Metal Particle on a Substrate"
Annual APS March Meeting 2005, Los Angels, USA (2005).

10. S. Maruyama, Y. Igarashi and Y. Shibuta
"Heat Transfer Problems related with Carbon Nanotubes by Molecular Dynamics-Based Simulations"
International Forum of Heat Transfer (IFHT2004), Kyoto, Japan (2004).

9. Y. Shibuta and S. Maruyama
"Molecular Dynamics study of Catalytic Ability of Transition Metals in Nucleation Process of SWNTs"
NT04, San Luis Potosho, Mexico (2004).

8. Y. Shibuta, S. Maruyama
"Molecular Dynamics Simulation of Nucleation Process of Single-Walled Carbon Nanotubes"
Annual APS March Meeting 2004, Montreal, Canada (2004).

7. S. Maruyama, Y. Igarashi, Y. Taniguchi and Y. Shibuta
"Molecular Dynamics Simulation of Heat Transfer Issues in Carbon Nanotubes"
1st Int. Sympo. Micro. Nano. Technol., Honolulu, USA (2004).

6. S. Maruyama, Y. Taniguchi and Y. Shibuta
"Characterization of Heat Conduction of Carbon Nanotube by Molecular Dynamics Method"
Eurotherm 75, Reims, France (2003).

5. Y. Shibuta and S. Maruyama,
"A Molecular Dynamics Simulation of Nucleation Process of SWNTs in CCVD Method"
6th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA (2003).

4. S. Maruyama and Y. Shibuta
"Molecular Dynamics Simulation of Nucleation and Growth of Single-Walled Carbon Nanotubes"
NASA/Rice SWNT Workshop, Boerne, USA (2003).

3. S. Maruyama and Y. Shibuta
"Molecular Dynamics Simulation of Generation Process of SWNTs"
Int. Sym. Nanocarbons, Nagano, Japan (2001) .

2. Y. Shibuta and S. Maruyama
"Molecular Dynamics Simulation of Generation Process of SWNTs"
Tsukuba Symposium on Carbon Nanotube in Commemoration of the 10th Anniversary of its Discovery,
Tsukuba (2001).

1. S. Maruyama, M. Kohno, T. Mukae, Y. Shibuta and S. Inoue
"FT-ICR Reaction Experiments and Molecular Dynamics Simulation of Precursor Cluster for SWNTs"
199th ECS Meeting, Washington D.C., USA, (2001).