91 results on '"Uranagase, Masayuki"'
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2. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations
3. Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations.
4. FE-CLIP: A tool for the calculation of the solid–liquid interfacial free energy
5. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations.
6. Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode
7. Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine‐Learning Potential through Active Learning
8. Tuning Ferroelectric Properties of Barium Titanate by Lateral Strain: A Molecular Dynamics Simulation Study
9. Erratum to “Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method”
10. Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study.
11. Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations
12. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method
13. Large-Scale DFT Simulation of Li-atom Insertion and Extraction in Quinons@SWCNT Rechargeable Battery Cathodes
14. Smart MD-Sampling Method for Interfacial Free Energy between Polymer-Grafted Substrate and Liquid
15. Probing collective terahertz vibrations of hydrogen-bonded water network at buried electrochemical interfaces
16. Probing collective terahertz vibrations of a hydrogen-bonded water network at buried electrochemical interfaces.
17. Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations
18. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+‑Shift Method.
19. Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations.
20. Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study
21. Simulation Analysis of Effect of Vacancies on Ferroic Domain Growth of BaTiO^3
22. Nonequilibrium molecular dynamics method based on coarse-graining formalism: Application to a nonuniform temperature field system
23. First-Principles Simulation Study on the Weakening of Silane Coupling to Silica under Alkaline Conditions
24. Effects of Mono/Di-Vacancies on Domain Growth of BaTiO3: An Atomistic Computer Simulation Study
25. First-Principles Calculations of the Protonation and Weakening of Epoxy Resin under Wet Conditions
26. Protonation and weakening of an epoxy resin–SiO2 composite with silane coupling agents under moist conditions.
27. Protonation and weakening of an epoxy resin–SiO2composite with silane coupling agents under moist conditions
28. Efficient scheme for calculating work of adhesion between a liquid and polymer-grafted substrate
29. Unveiling the Chemical Reactions Involved in Moisture-Induced Weakening of Adhesion between Aluminum and Epoxy Resin
30. Tension–compression asymmetry in uniaxial deformation of a magnesium bicrystal with [1¯100] symmetric tilt grain boundary
31. Effects of normal stresses on the homogeneous nucleation of a basal dislocation in magnesium
32. Basal Dislocation Nucleated from a Free Surface of an Elliptic Cylindrical Mg Single Crystal
33. Deformation Analysis of the Long-Period Stacking-Ordered Phase by Using Molecular Dynamics Simulations: Kink Deformation under Compression and Kink Boundary Migration under Tensile Strain
34. OS0123-334 Molecular Dynamics Analysis on Uniaxial Deformation of a Magnesium Bicrystal with a Symmetric Tilt Grain Boundary
35. ニタイ ゴウタイキュウケイ ノ トウケイテキ オヨビ ドウリキガクテキ セイシツ
36. Thermal activation analysis of enthalpic and entropic contributions to the activation free energy of basal and prismatic slips in Mg
37. OS0114 Quantitative Analysis on Nucleation of a Dislocation in a Mg Single Crystal under Various Applied Stresses via Atomistic Simulations
38. Analysis on Nucleation of a Dislocation Loop in a Magnesium Single Crystal -Approach from Atomistic Simulations-
39. 310 Thermal Activation Analysis on Nucleation of a Dislocation in a Magnesium Crystal via Atomistic Simulations
40. Molecular Dynamics Study of Nucleation and Propagation Behavior of Ridge Shaped Kink Band in LPSO Structure
41. 309 Formation Mechanisms of Kink Boundary in LPSO Structures
42. Deformation Analysis of Mg-Zn-Y LPSO-Phase with 10H-Type Stacking Using Atomistic Model
43. Quantitative evaluation of influence of normal stresses on dislocation nucleation in a metal single crystal via atomistic simulations
44. 311 Model Potential Analyses of Deformation Behavior of 18R-LPSO Structure
45. 1504 Analysis on the activation free energy of nucleation of a dislocation loop in a magnesium single crystal via atomistic simulations
46. OS0419 Analysis on the process of nucleation of a dislocation loop in a magnesium single crystal by metadynamics method
47. Molecular Dynamics Analyses of Deformation Behavior of Long-Period-Stacking-Ordered Structures
48. Activation Free Energy of Nucleation of a Dislocation Pair in Magnesium
49. 1522 Model Potential Analyses of Deformation Behavior of Long-Period-Stacking-Ordered Structures
50. W012003 Atomistic Analyses of Kink-Band Formation and Its Stability in LPSO Structures
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