S. Zhou, X. Liu, Z. Yan, S. Hara, N. Shikazono, Z. Zhong
“Kinetic Monte Carlo (KMC) simulation of sintering of nickel oxide-yttria stabilized zirconia composites: Model, parameter calibration and validation”, Materials & Design , 232, (2023) 112094.
Z. Yan, A. Hen, S. Hara, N. Shikazono
“Design and optimization of functionally graded electrodes for solid oxide fuel cells (SOFCs) by mesoscale modeling”, Int. J. Hydro. Energy , 47, (2022) 16610-16625.
X. Liu, S. Zhou, Z. Yan, Z. Zhong, N. Shikazono, S. Hara
“Correlation between microstructures and macroscopic properties of nickel/yttria-stabilized zirconia (Ni-YSZ) anodes: Meso-scale modeling and deep learning with convolutional neural networks”, Energy and AI , 7, (2022) 100122.
G. Okuma, R. Miyaki, K. Shinobe, A. Sciazko, T. Shimura, Z. Yan, S. Hara, T. Ogashiwa, N. Shikazono, F. Wakai
“Anisotropic microstructural evolution and coarsening in free sintering and constrained sintering of metal film by using FIB-SEM tomography”, Acta Mater. , 215, (2021) 117087.
Z. Yan, S. Hara, N. Shikazono, W. Negishi and A. Kajihara
“Microstructure anisotropy of La0.6Sr0.4Co0.2Fe0.8O3-δ film on rigid Gd0.1Ce0.9O1.95 substrate during constrained sintering”, J. Euro. Ceram. Soc. , 39, (2019) 4850-4863.
Z. Yan, A. He, S. Hara and N. Shikazono
“Modeling of solid oxide fuel cell (SOFC) electrodes from fabrication to operation: Microstructure optimization via artificial neural networks and multi-objective genetic algorithms”, Energy Conversion and Management, 198, (2019) 111916.
Z. Yan, A. He, S. Hara and N. Shikazono
“Modeling of solid oxide fuel cell (SOFC) electrodes from fabrication to operation: Correlations between microstructures and electrochemical performances”, Energy Conversion and Management, 190, (2019) 1-13.
Q. J. Li, B. Xin, S. Hara, J. Li and E. Ma
“Sample-size-dependent surface dislocation nucleation in nanoscale crystals”, Acta Mater., 145, (2018) 19-29.
Z. Yan, S. Hara and N. Shikazono
“Towards a realistic prediction of sintering of solid oxide fuel cell electrodes: from tomography to discrete element and kinetic Monte Carlo simulations”, Scripta Mater., 146, (2018) 31-35.
Z. Yan, S. Hara and N. Shikazono
“Homogeneity and representativeness analyses of solid oxide fuel cell cathode microstructures”, Int. J. Hydro. Energy, 42, (2017) 30166-30178.
Z. Yan, S. Hara and N. Shikazono
“Effect of powder morphology on the microstructural characteristics of La0.6Sr0.4Co0.2Fe0.8O3 cathode: A Kinetic Monte Carlo investigation”, Int. J. Hydro. Energy, 42, (2017) 12601-12614.
Z. Yan, Y. Kim, S. Hara and N. Shikazono
“Prediction of La0.6Sr0.4Co0.2Fe0.8O3 cathode microstructures during sintering: Kinetic Monte Carlo (KMC) simulations calibrated by artificial neural networks”, J. Power Sources, 346, (2017) 103-112.
T. Shimura, Z. Jiao, S. Hara and N. Shikazono
“Investigation of Microstructural Change of Nickel-Yttria Stabilized Zirconia Anode during Oxidation and Reduction Based on Three Dimensional Reconstruction”, J. Electrochem. Soc., 164(2), (2017) F147-153.
J. Yang, S. Izumi, R. Muranaka, Y. Sun, S. Hara and S. Sakai
“Reaction pathway analysis for differences in motion between C-core and Si-core partial dislocation in 3C-SiC”, Mechanical Engineering Journal, 2 (2015) 00183.
Y. Sun and S. Hara，
”Atomistic study of segregation and diffusion of yttrium and calcium cations near electrolyte surfaces in solid oxide fuel cells”, J. Euro. Ceram. Soc. 35 (2015) 3063-3074.
S. Hara, A. Ohi, N. Shikazono,
“Sintering analysis of sub-micron-sized nickel powders: Kinetic Monte Carlo simulation verified by FIB-SEM reconstruction.”, J. Power Sources, 276 (2015) 105-112.
Y. Kim, A. Ohi, A. He, Z. Jiao, T. Shimura, D. Klotz, S. Hara and N. Shikazono,
“Microstructure and Polarization characteristics of LSCF-GDC Composite Cathode with Different Volume Fractions.”, ECS Transactions, 68 (2015) 757-762.
T. Shimura, Z. Jiao, S. Hara and N. Shikazono,
“Quantitative analysis of solid oxide fuel cell anode microstructure change during redox cycles”, J. Power Sources, 267, (2014) 58-68.
S. Hara, K. Shikata, N. Shikazono, S. Izumi and S. Sakai,
" Monte Carlo study on the constraint effect of YSZ phase on Ni sintering in Ni-YSZ composite system", ECS Transactions, 57 (2013) 2857-2863.
Y. Sun, S. Izumi, S. Hara, S. Sakai,
"Anisotropy behavior of dislocation nucleation from a sharp corner in copper", J. Comput. Sci. Tech. 5, (2011) 54-61.
H. A. Saeed, S. Izumi, S. Hara, S. Sakai,
“Reaction Pathway Analysis of Homogeneous Dislocation Nucleation in a Perfect Molybdenum Crystal”, MRS Proceedings, 1297 (2011) 10-17.
S. Hara and J. Li,
"Adaptive strain-boost hyperdynamics simulations of stress-driven atomic processes", Phys. Rev. B. 82, (2010) 184114.
H. A. Saeed, S. Izumi, S. Hara, S. Sakai,
“Transition Pathway Analysis of Homogeneous Dislocation Nucleation in a Perfect Silicon Crystal”, Mater. Res. Soc. Symp. Proc. FF-05-14 (2010) 1224.
S. Hara, S. Izumi, S. Sakai,
"Reaction pathway analysis for dislocation nucleation from Ni surface step", J. Appl. Phys. 106, (2009) 093507.
S. Hara, T. Kumagai, S. Izumi, S. Sakai,
"Multiscale analysis on the onset of nanoindentation-induced delamination: Effect of high-modulus Ru overlayer", Acta Mater. 57 (2009) 4209-4216.
T. Kumagai, S. Hara, J. Choi, S. Izumi,
" Development of empirical bond-order-type interatomic potentialfor amorphous carbon structures", J. Appl. Phys., 105, 064310,(2009)
S. Hara, S. Izumi, S. Sakai, Y. Eguchi, T. Iwasaki,
"Simulations of an interface crack nucleation during nanoindentaion: molecular dynamics and finite element coupling approach", Mater. Res. Soc. Symp. Proc. U08-29, 1086, (2008)
T. Kumagai, D. Nikkuni, S. Hara, S. Izumi, S. Sakai,
"Development of Interatomic Potential for Zr-Ni Amorphous Systems, Materials Transactions, 48,1313-1321,(2007)
T. Kumagai, S. Hara, S. Izumi, S. Sakai,
“Development of a bond-order type interatomic potential for Si-B systems”, Modelling Simul. Mater. Sci. Eng. Vol.14, No.5 (2006) 29-37.
T. Kumagai, S. Hara, S. Izumi, S. Sakai,
“Development of a method for making interatomic potential: an application to metallic systems”, Materials Science Forum, 539-543, 2123-2128, (2006)
S. Hara, S. Izumi, T. Kumagai, S. Sakai,
“Surface energy, stress and structure of well-relaxed amorphous silicon: A combination approach of ab initio and classical molecular dynamics", Surface Science, Vol. 585 (2005) 17-24.
S. Izumi, S. Hara, T. Kumagai, S. Sakai,
“Molecular dynamics study on homogeneous crystal nucleation in amorphous silicon, Journal of Crystal Growth, 274/1-2 (2005) 47-54.
S. Izumi, S. Hara, T. Kumagai, S. Sakai,
“Elastic properties of the surfaces and interfaces of crystal and amorphous silicon”,
IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Material Strength, Eds. H. Kitagawa and Y. Shibutani (Kluwer, Netherlands, 2004) 117-127.
S. Izumi, S. Hara, T. Kumagai, S. Sakai,
“A method for calculating surface stress and surface elastic constants by molecular dynamics; Application to the surface of crystal and amorphous silicon”, Thin Solid Films, 467 (2004) 253-260.
S. Izumi, S. Hara, T. Kumagai, S. Sakai,
“Classification of amorphous-silicon microstructures by order parameters: Molecular dynamics study”, Computational Materials Science, 31/3-4 (2004) 258-268.
S. Izumi, S. Hara, T. Kumagai, S. Sakai,
“Structural and mechanical properties of well-relaxed amorphous-crystal interface in silicon: Molecular dynamics study”, Computational Materials Science, 31/3-4 (2004) 279-286.
S. Izumi, Y. Sato, S. Hara, S. Sakai,
”Development of a molecular dynamics potential for Si-H systems and its application to CVD reaction process”, Surface Science, 560, 1-3, (2004) 1-11.
