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Transición de fase líquido-líquido en el carburo de silicio nanoconfinado

Weikang Wu¹, Leining Zhang¹, Sida Liu¹

¹Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University , Jinan 250061, People's Republic of China.

Journal of the American Chemical Society

|February 10, 2016

Resumen

Encontramos evidencia teórica de una transición de fase líquido-líquido en el carburo de silicio bajo confinamiento de nano hendiduras. Esta transición implica capas, cambios de densidad y separación de microfasas impulsadas por el confinamiento y la presión.

Área de la Ciencia:

Ciencias de los materiales
Química Física
Física computacional

Sus antecedentes:

El carburo de silicio líquido (SiC) es un material tecnológicamente importante.
Comprender las transiciones de fase en sistemas confinados es crucial para la nanotecnología.
Estudios anteriores han explorado las propiedades del SiC, pero el LLPT bajo confinamiento de nano hendiduras sigue siendo poco explorado.

Objetivo del estudio:

Investigar la evidencia teórica de una transición de fase líquido-líquido (LLPT) en carburo de silicio líquido bajo confinamiento en nano hendiduras.
Caracterizar los cambios estructurales y de densidad asociados con el LLPT.
Para aclarar las funciones del confinamiento, la presión y las interacciones entre la pared y el líquido en la inducción del LLPT.

Principales métodos:

Modelado teórico y simulación de carburo de silicio líquido dentro de confinamientos de nano hendiduras.
Análisis de las propiedades estructurales, incluidos los números de coordinación (estructuras tricoordinadas, tetracoordinadas y pentacoordinadas).
Investigación de los cambios de densidad y de los fenómenos de separación de microfasas.

Principales resultados:

Pruebas teóricas para una transición de fase líquido-líquido (LLPT) en carburo de silicio líquido confinado.
El LLPT se caracteriza por transiciones de capas, cambios significativos en la densidad y distribuciones estructurales alteradas (estructuras tetra y pentacoordinadas).
Se produce la separación de la microfase, con el silicio y el carbono formando capas distintas cerca de las paredes debido a fuertes fuerzas de pared-líquido y estructuras de coordinación variables.

Conclusiones:

El confinamiento y la presión de las nano hendiduras pueden inducir una transición de fase líquido-líquido en el carburo de silicio líquido.
El LLPT implica reordenamientos estructurales complejos y separación de microfasas, lo que lleva a capas distintas ricas en silicio y ricas en carbono.
La interacción entre el confinamiento y la presión determina la fuerza motriz dominante para el LLPT, con el confinamiento dominante a altas presiones y la presión a bajas presiones.

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