Video Experimental Relacionado

Updated: Apr 10, 2026

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys

Co-localizing Kelvin Probe Force Microscopy with Other Microscopies and Spectroscopies: Selected Applications in Corrosion Characterization of Alloys

Published on: June 27, 2022

Paisaje energético de las transiciones de fase de zirconio

Shu-Hui Guan¹, Xiao-Jie Zhang¹, Zhi-Pan Liu¹

¹Collaborative Innovation Center of Chemistry for Energy Material, Key Laboratory of Computational Physical Science (Ministry of Education), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai 200433, China.

Journal of the American Chemical Society

|June 16, 2015

Resumen

Los investigadores resolvieron el mecanismo de transición de fase sólida tetragonal a monoclínica de ZrO2 utilizando el caminar estocástico por la superficie. Se descubrió una nueva fase ortorrómbica, que afecta el endurecimiento de la transformación en los materiales de zirconia.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Química del estado sólido.
Materiales computacionales Ciencia de la ciencia.

Sus antecedentes:

Las transiciones de fase sólida en zirconia son cruciales para las aplicaciones industriales.
La cinética de estas transiciones se ha debatido durante décadas debido a los desafíos en la observación de patrones de desplazamiento atómico.

Objetivo del estudio:

Para dilucidar el mecanismo de la transición de la fase sólida tetragonal a monoclínica en el zirconio (ZrO2).
Identificar y caracterizar los patrones de desplazamiento atómico y los paisajes energéticos que rigen la transición de fase.

Principales métodos:

Utilizado el primer principio basado en la superficie estocástica caminando (SSW) muestreo de la vía.
Aplicó criterios de energía para determinar las correspondencias de celosía y átomos permitidas durante la transición de fase.

Principales resultados:

Identificó dos tipos de correspondencia de celosía y átomo a partir de criterios de energía.
Descubrió dos vías de transición más bajas de casi degeneración de energía y un canal de transición ferroelástico inducido por estrés.
Reveló una fase cristalina ortorrómbica (Pbc2/1) como un estado de atrapamiento a baja temperatura que impide el endurecimiento de la transformación.

Conclusiones:

El estudio proporciona un mecanismo detallado para la transición de fase ZrO2 tetragonal a monoclínica.
El descubrimiento del estado de atrapamiento ortorrómbico ofrece nuevos conocimientos sobre los mecanismos de endurecimiento de la transformación.
Los hallazgos pueden orientar el desarrollo de materiales avanzados de óxido funcional para la industria cerámica.

Más Videos Relacionados

Synthesis and Exfoliation of Discotic Zirconium Phosphates to Obtain Colloidal Liquid Crystals

Synthesis and Exfoliation of Discotic Zirconium Phosphates to Obtain Colloidal Liquid Crystals

Published on: May 25, 2016

Multi-material Ceramic-Based Components – Additive Manufacturing of Black-and-white Zirconia Components by Thermoplastic 3D-Printing (CerAM - T3DP)

Multi-material Ceramic-Based Components – Additive Manufacturing of Black-and-white Zirconia Components by Thermoplastic 3D-Printing (CerAM - T3DP)

Published on: January 7, 2019

Videos de Conceptos Relacionados

Phase Transitions: Sublimation and Deposition

Phase Transitions: Sublimation and Deposition

Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...

Phase Transitions

Phase Transitions

Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...

Phase Transitions

Phase Transitions

A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...

Phase Diagrams of Ternary Systems

Phase Diagrams of Ternary Systems

Consider a ternary system, which is composed of three components: water (W), ethanoic acid (E), and trichloromethane (T). Here, Ethanoic acid (E) is fully miscible with both water (W) and trichloromethane (T), meaning it can mix entirely with either of them. However, water and trichloromethane have partial miscibility, meaning they can only mix to a certain extent, beyond which two separate phases will form.The phase diagram of a ternary system is represented as an equilateral triangle, where...

Phase Diagram

Phase Diagram

The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).

Phase Diagram

Phase Diagram

A phase diagram is a graphical representation of the physical states of a substance under different conditions of temperature and pressure. It shows the boundaries between solid, liquid, and gas phases and the conditions at which these phases coexist in equilibrium. An area in a phase diagram represents a single phase, whereas lines or phase boundaries represent the equilibrium between two phases.In the phase diagram of water, the boundary line between the solid and liquid states illustrates...