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Related Concept Videos

Metallic Solids02:37

Metallic Solids

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
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Phase Transitions: Sublimation and Deposition02:33

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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...
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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
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Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
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Intermolecular vs Intramolecular Forces03:00

Intermolecular vs Intramolecular Forces

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Intermolecular forces (IMF) are electrostatic attractions arising from charge-charge interactions between molecules. The strength of the intermolecular force is influenced by the distance of separation between molecules. The forces significantly affect the interactions in solids and liquids, where the molecules are close together. In gases, IMFs become important only under high-pressure conditions (due to the proximity of gas molecules). Intermolecular forces dictate the physical properties of...
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Phase Transitions: Melting and Freezing02:39

Phase Transitions: Melting and Freezing

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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...
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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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Interplay between interdiffusion and shape transformations in nanoalloys evolving from core-shell to intermixed

Diana Nelli1, Christine Mottet2, Riccardo Ferrando2

  • 1Physics Department, University of Genoa, Via Dodecaneso 33, 16146, Genoa, Italy. diana.nelli@edu.unige.it.

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|September 30, 2022
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Summary
This summary is machine-generated.

This study uses molecular dynamics (MD) simulations to investigate the complex evolution of non-equilibrium bimetallic nanoalloys (AgAu, PtPd, AuCu) towards equilibrium. Findings reveal distinct intermixing pathways and shape evolution for different core@shell configurations.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Chemistry

Background:

  • Bimetallic nanoalloys often form non-equilibrium structures.
  • Understanding their evolution towards equilibrium is crucial for controlling properties.

Purpose of the Study:

  • To analyze the evolution of AgAu, PtPd, and AuCu nanoalloys from non-equilibrium core@shell configurations.
  • To compare simulation results with equilibrium configurations.

Main Methods:

  • Molecular dynamics (MD) simulations were employed to study nanoalloy evolution.
  • Simulations covered truncated octahedral and icosahedral shapes (2-3 nm).
  • Monte Carlo simulations determined equilibrium configurations for comparison.

Main Results:

  • Distinct intermixing pathways and shape evolution were observed for different nanoalloys and core@shell arrangements.
  • The study monitored time-dependent intermixing and shape changes.
  • Simulations were conducted at temperatures near the melting range.

Conclusions:

  • Non-equilibrium bimetallic nanoalloys evolve through complex pathways towards equilibrium.
  • MD simulations provide insights into the dynamics of intermixing and shape evolution.
  • Comparing MD with Monte Carlo results validates the approach to equilibrium.