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Computational Materials Science Center, National Institute for Materials Science | 論文
- Dependence of Solvus Temperature of the Laves Phase on (Mo+W+Re) Contents in High Cr Ferritic Steels
- Band-Structure Theory for the Insulating Phase of the Thio-Spinel Transition-Metal Compound, CuIr_2S_4(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Guiding Principle of Energy Level Controllability of Silicon Dangling Bond in HfSiON
- Classical and Hybrid Density-Functional/Classical Molecular Dynamics Study of Dislocation Core in Alumina Ceramic
- Magnetic Properties and Metastable States in Spin-Crossover Transition of Co-Fe Prussian Blue Analogues(Condensed matter: structure and mechanical and thermal properties)
- Structures of Metastable States in Phase Transitions with a High-Spin Low-Spin Degree of Freedom(Condensed Matter and Statistical Physics)
- First-Principles Study of C_6M_2 (M = B, Al, Mg, Li), C_7B and Related Compounds
- Electronic and Lattice Properties of MgB_2 and Related Phases under Various Compression Conditions
- First-Principles Calculation of Photoabsorption Spectra of Cadmium Selenide Clusters
- Phase-Field Simulation of Microstructure Changes in Ni_2MnGa Ferromagnetic Alloy Under External Stress and Magnetic Fields
- Molecular Dynamics Simulation of Thermal Conductivity of Silicon Thin Film
- Computation of Interfacial Thermal Resistance by Phonon Diffuse Mismatch Model
- Measurement of Interfacial Thermal Resistance by Periodic Heating and a Thermo-Reflectance Technique
- 21pYM-9 First-principles study on the microscopic mechanism and controlling factor of the Al self-diffusion inside corundum
- Phase-Field Simulation of Phase Transformation in Fe-Cu-Mn-Ni Quaternary Alloy
- Magnetic Susceptibility of [Cu_2(C_2O_4)(C_H_8N_2)_2](NO_3)_2 : a Candidate for a Spin Ladder Compound
- Short-range electron correlations of CO2 molecule by first principles T-matrix calculations (Special issue on ACCMS working group meeting on clusters and nanomaterials)
- Instability of Dianions of Alkali-Metal Clusters
- FCC-BCC Phase Transition in Iron under a Periodic Boundary Condition
- Numerical Study on Vortex States in Three Dimensions with Point Pins : Effect of a Single Twin Plane