Computation and theory news

Researchers find way to explore different crystal structures of borophene

Scientists have not only visualized the nanoscale structures of borophene lattices, but also built theoretical models of their crystalline forms.

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‘Deep learning’ agents quickly discover characteristics of 2D materials

‘Deep learning’ agents can accurately determine a 2D material's physical characteristics, such as strength, from minimal data on its structure.

New state of matter is both solid and liquid

Applying high pressures and temperatures to elements like potassium and sodium produces a new, stable state of matter that is both solid and liquid.

Novel biological MOF can lock into DNA interactions

A metal-organic framework made of the DNA base adenine can lock the DNA base thymine within its cavities for chemical reactions.

Model shows how copper ‘islands’ become squashed under graphene ‘blanket’

Scientists have developed a model for predicting the shape of metal ‘islands’ sandwiched between or below 2D materials such as graphene.

Scientists find way to create ‘ship-in-a-bottle’ catalysts

Scientists have found a way to place catalysts inside the tiniest pores of different host materials, a bit like fitting a model ship inside a bottle.

‘Oil and vinegar’ could guide assembly of nanoparticles into complex shapes

Scientists have theorized a new ‘oil-and-vinegar’ approach for inducing spherical nanoparticles to self-assemble into unusual architectures.

New machine learning algorithm lets coarse models make detailed predictions

Researchers have used machine learning to create molecular models for faster screening of materials such as organic electronics.

Laser light and frustration create stable supercrystal

By exciting ‘frustrated’ crystalline materials with laser light, a team of researchers has managed to transform them into a stable ‘supercrystal’.

Spiral staircase leads to best topological conductor ever

Researchers have discovered the strongest topological conductor yet, in the form of thin crystal samples with a spiral-staircase structure.

Scientists discover why nickel-rich materials feel degraded in lithium-ion batteries

Scientists have identified the causes of degradation in a nickel-rich layered cathode material in lithium-ion batteries, as well as possible remedies.

Deformation alloys identified at the nanoscale

Strength of metallic alloys that improves at cryogenic temperatures

New X-ray technique reveals motion of atoms in 2D material

Scientists have used a new technique called ultrafast surface X-ray scattering to visualize the motion of atoms in a 2D material.

Additive manufacturing caught on camera

ultrafast X-ray imaging gives an insight into exactly what is happening during additive manufacturing of metal structures

Acoustic metamaterial blocks nearly all sound

Acoustic metamaterial structure blocks 94% of sound

Double-helix structure helps polymer stay strong

Researchers have discovered that a high-strength polymer called PBDT has a rare double-helix structure.

Simulations show that surfaces get worn down by debris particles

Simulations of how surface roughness changes over time have revealed that surfaces are worn down by the action of debris particles between them.