Nucleation pathways in barium silicate glasses.

作者: Matthew E. McKenzie , Binghui Deng , D. C. Van Hoesen , Xinsheng Xia , David E. Baker

DOI: 10.1038/S41598-020-79749-2

关键词: NucleationMonte Carlo methodMolecular dynamicsCluster (physics)Phase (matter)Materials scienceWork (thermodynamics)Silicate glassBariumChemical physics

摘要: Nucleation is generally viewed as a structural fluctuation that passes critical size to eventually become stable emerging new phase. However, this concept leaves out many details, such changes in cluster composition and competing pathways the In work, both experimental computer modeling studies are used understand pathways. Monte Carlo molecular dynamics approaches analyze thermodynamic kinetic contributions nucleation landscape barium silicate glasses. Experimental techniques examine resulting polycrystals form. Both data indicate silica rich core plays dominant role process.

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