Theo dơi
Shingo Urata
Shingo Urata
AGC Inc.
Email được xác minh tại agc.com
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Molecular dynamics simulation of swollen membrane of perfluorinated ionomer
S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (9), 4269-4278, 2005
2442005
Origin of the mixed alkali effect in silicate glass
Y Onodera, Y Takimoto, H Hijiya, T Taniguchi, S Urata, S Inaba, S Fujita, ...
NPG Asia Materials 11 (1), 75, 2019
952019
Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals
S Urata, A Takada, T Uchimaru, AK Chandra
Chemical physics letters 368 (1-2), 215-223, 2003
862003
Prediction of vapor–liquid equilibrium for binary systems containing HFEs by using artificial neural network
S Urata, A Takada, J Murata, T Hiaki, A Sekiya
Fluid Phase Equilibria 199 (1-2), 63-78, 2002
712002
Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers
S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (36), 17274-17280, 2005
582005
Structural origins of the mixed alkali effect in alkali aluminosilicate glasses: molecular dynamics study and its assessment
F Lodesani, MC Menziani, H Hijiya, Y Takato, S Urata, A Pedone
Scientific reports 10 (1), 2906, 2020
572020
Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of and dimers
S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of chemical physics 116 (8), 3309-3315, 2002
572002
An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications
S Li, S Urata
Computer Methods in Applied Mechanics and Engineering 306, 452-478, 2016
472016
Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation
AT Kuo, K Takeuchi, A Tanaka, S Urata, S Okazaki, W Shinoda
Polymer 146, 53-62, 2018
392018
Reaction mechanisms and interfacial behaviors of sodium silicate glass in an aqueous environment from reactive force field-based molecular dynamics simulations
L Deng, K Miyatani, S Amma, M Suehara, M Ono, Y Yamamoto, S Urata, ...
The Journal of Physical Chemistry C 123 (35), 21538-21547, 2019
382019
Hydrogen permeation in hydrated perfluorosulfonic acid polymer membranes: effect of polymer crystallinity and equivalent weight
K Takeuchi, AT Kuo, T Hirai, T Miyajima, S Urata, S Terazono, S Okazaki, ...
The Journal of Physical Chemistry C 123 (33), 20628-20638, 2019
382019
Intermolecular interaction between the pendant chain of perfluorinated ionomer and water
S Urata, J Irisawa, A Takada, S Tsuzuki, W Shinoda, M Mikami
Physical Chemistry Chemical Physics 6 (13), 3325-3332, 2004
382004
A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids
S Urata, S Li
Acta Materialia 155, 153-165, 2018
372018
Structural features of sodium silicate glasses from reactive force field‐based molecular dynamics simulations
L Deng, S Urata, Y Takimoto, T Miyajima, SH Hahn, ACT van Duin, J Du
Journal of the American Ceramic Society 103 (3), 1600-1614, 2020
362020
Ab Initio Calculations of Intermolecular Interaction of CHF3 Dimer:  Origin of Attraction and Magnitude of CH/F Interaction
S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of Physical Chemistry A 107 (39), 7962-7968, 2003
332003
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles
AR Tan, S Urata, S Goldman, JCB Dietschreit, R Gómez-Bombarelli
npj Computational Materials 9 (1), 225, 2023
322023
Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations: Modeling and simulation of …
T Murashima, S Urata, S Li
The European Physical Journal B 92, 1-8, 2019
322019
Artificial neural network study for the estimation of the C–H bond dissociation enthalpies
S Urata, A Takada, T Uchimaru, AK Chandra, A Sekiya
Journal of fluorine chemistry 116 (2), 163-171, 2002
322002
Molecular dynamics study on nano‐particles reinforced oxide glass
S Urata, R Ando, M Ono, Y Hayashi
Journal of the American Ceramic Society 101 (6), 2266-2276, 2018
312018
How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential
S Urata, N Nakamura, K Aiba, T Tada, H Hosono
Materials & Design 197, 109210, 2021
282021
Hệ thống không thể thực hiện thao tác ngay bây giờ. Hăy thử lại sau.
Bài viết 1–20