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Atomic Structure

Atomic Structure

Atomic Structure

Atomic Structure

The Greek philosopher Democritus proposed that everything on Earth is made up of tiny particles called atomos, Greek for "indivisible," from which the modern term "atom" is derived. In the 19th century, John Dalton proposed the atomic theory that is still largely correct today. He put forth five postulates to explain how atoms made up the world around us. (1) All matter is composed of infinitely small particles or atoms. (2) All atoms of a given element are identical to one...

The Quantum-Mechanical Model of an Atom

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.

Electronic Structure of Atoms

Electronic Structure of Atoms

An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...

The Nucleosome Core Particle

The Nucleosome Core Particle

Nucleosomes are the DNA-histone complex, where the DNA strand is wound around the histone core. The histone core is an octamer containing two copies of H2A, H2B, H3, and H4 histone proteins.
The paradox
Nucleosomes, paradoxically, perform two opposite functions simultaneously. On the one hand, their main responsibility is to protect the delicate DNA strands from physical damage and help achieve a higher compaction ratio. While on the other hand, they must allow polymerase enzymes to access DNA...

Atomic Mass

Atomic Mass

Atoms — and the protons, neutrons, and electrons that compose them — are extremely small. For example, a carbon atom weighs less than 2 × 10−23 g. When describing the properties of tiny objects such as atoms, we use appropriately small units of measure, such as the atomic mass unit (amu). The amu was originally defined based on hydrogen, the lightest element, then later in terms of oxygen. Since 1961, it has been defined with regard to the most abundant isotope of carbon, atoms of which...

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Related Experiment Video

Updated: Feb 2, 2026

Plasmonic Trapping and Release of Nanoparticles in a Monitoring Environment

Plasmonic Trapping and Release of Nanoparticles in a Monitoring Environment

Published on: April 4, 2017

Atomic-Scale Structure and Stress Release Mechanism in Core-Shell Nanoparticles.

Michael Nathanson¹, Krishan Kanhaiya¹, Alan Pryor²

¹Department of Chemical and Biological Engineering , University of Colorado at Boulder , Boulder , Colorado 80309 , United States.

|November 21, 2018

Summary

Molecular dynamics simulations reveal detailed atomic structures and stress relaxation in gold-palladium core-shell nanoparticles, offering insights beyond current experimental limits for catalyst and theranostic applications.

Keywords:

atomic resolution coherent diffractive imaging interfaces lattice strain molecular dynamics simulation nanoparticles stress release

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Last Updated: Feb 2, 2026

Plasmonic Trapping and Release of Nanoparticles in a Monitoring Environment

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

Area of Science:

Materials Science
Nanotechnology
Computational Chemistry

Background:

Core-shell nanoparticles are crucial for catalysis, sensors, and theranostics.
Current imaging techniques cannot fully resolve their internal 3D atomic structure.

Purpose of the Study:

To analyze atomic positions and stress-release mechanisms in cubic Au-Pd core-shell nanoparticles.
To achieve resolution approximately 1000 times higher than existing experimental methods.

Main Methods:

Large-scale molecular dynamics simulation of a 73 nm cubic Au-Pd core-shell nanoparticle.
Modeling epitaxial deposition of a 4 nm Pd shell onto a 65 nm Au core.
Utilizing reliable interatomic potentials for accurate simulation.

Main Results:

Identified specific deformations and stress relaxation due to lattice mismatch (+4.8%) and interface confinement.
Observed long-range bending of atomic rows, Pd shell bulging, and stacking faults at corners.
Strain is significantly higher on facets compared to edges and corners, impacting properties.

Conclusions:

The detailed 3D atomic structure and stress release mechanisms are elucidated.
Findings are consistent with experimental data and provide a basis for future experimental verification.
The simulation methods are applicable to other core-shell nanoparticles with fcc structures and varying shapes.