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Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice Ih

Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice Ih

Maurice de Koning and Alex Antonelli

ARTIGO

Inglês

Agradecimentos: The authors gratefully acknowledge financial support from the Brazilian agencies FAPESP, CNPq, and CAPES. M.K. acknowledges R. W. Whitworth, A. J. R. da Silva and A. Fazzio for stimulating discussions.

Abstract: We present a model for the determination of the thermal equilibrium concentrations of Bjerrum defects, molecular point defects, and their aggregates in ice Ih. First, using a procedure which minimizes the free energy of an ice crystal with respect to the numbers of defect species, we... Ver mais

FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP

CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQ

COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPES

Fechado

Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice Ih

Maurice de Koning and Alex Antonelli

										

Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice Ih

Maurice de Koning and Alex Antonelli

    Fontes

    Journal of chemical physics (Fonte avulsa)