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Phase stabilities of self-organized nc-TiN/a-Si3N4 nanocomposites and of Ti1−xSixNy solid solutions studied by ab initio calculation and thermodynamic modeling
A Simple Electrostatic Model for Trisilylamine: Theoretical Examinations of the n→σ* Negative Hyperconjugation, pπ→dπ Bonding, and Stereoelectronic Interaction
Atomistic Simulations - Based Understanding of the Mechanism behind the Role of Second-Phase SiC Particles in Fracture Resistance of SiC-Si3N4 Nanocomposites
Atomistic and Continuum Understanding of the Particle Clustering and Particle Size Effect on the Room and High Temperature Strength of SiC-Si3N4 Nanocomposites
First-principles study on the electronic structure and phase transition of α-, β- and γ-Si3N4
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