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Computation CHANGE TOPIC

Computation and theory news

Scientists have found that the protective oxide films that form on metals can trap other atoms inside them, which influence many of the film’s properties.

New technique tracks aging of iron oxide nanoparticles

Combining Mössbauer spectroscopy with ‘center of gravity’ analysis can reveal how the oxidation state of iron oxide nanoparticles changes over time.

Scientists have computed the optical properties, including transmittance, absorbance and reflectance, of 55 2D materials.

A unique combination of imaging tools and atomic-level simulations has revealed that a hybrid organic-inorganic perovskite film is ferroelastic.

Researchers have trained an artificial neural network to predict stable materials in two classes of crystals known as garnets and perovskites.

Replacing metallic nanoantennas with silicon ones for perovskites in solar cells.

X-ray studies have revealed that the pathways lithium ions take through a common battery material are more complex than previously thought.

Tetrahedron nanostructures composed of certain metals can have a higher degree of symmetry than the geometrical symmetry of spherical atoms.

Scientists have developed a novel 3D printing process for creating hydrogels with complex 3D shapes and motions.

A new technique can create an individual fingerprint of the current-carrying edge states occurring in topological insulators or 2D materials.

Stress-corrosion cracking can occur when a metal is exposed to tensile stress and corrosion separately, as well as simultaneously.

As much as 100 times more heat than predicted by standard radiation theory can flow between the edges of two very thin semiconductor plates.

High-entropy alloys made from metals known to form shape-memory alloys can produce shape-memory alloys that work at high temperatures.

Scientists have verified a key prediction from a 55-year-old theory about how electrons move through one-dimensional nanotubes and nanowires.

Nanoscale diamond needles can bend and deform reversibly, like bristles on a brush, before breaking.

Scientists have induced a two-dimensional material to cannibalize itself for atomic ‘building blocks’ that go on to form stable structures.

Using computational simulations, scientists have discovered the process by which an iron-based superconductor collapses under pressure.

Using video game controllers with electron microscopy, researchers have developed a way to move line defects around in bilayer graphene.

Computer simulations show that nanoscale patterning on surfaces is an effective means of engineering materials for unique water dynamics.

A novel platinum-gold alloy, 100 times more durable than high-strength steel, is believed to be the most wear-resistant metal in the world.

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