Computation and theory news

Excitons form spontaneously when certain 2D materials combine

New research shows that certain combinations of 2D materials let holes and electrons combine into excitons at the materials' ground state.

Impurities play major role in melting process

Using tiny polystyrene beads arranged in a crystalline lattice, researchers have discovered that impurities play a major role in the melting process.

Improving energy storage and modeling for new energy materials

New structural supercapacitor electrode produced from nanofiber materials

Scientists can count on new tool to characterize nanoparticles

Scientists have developed an open-source program called SEMseg to count and characterize nanoparticles from scanning electron microscope images.

Hollow structures spontaneously let batteries store more energy

The spontaneous formation of hollow structures in nanoscale antimony crystals could increase the energy density of lithium-ion batteries.

Smiley metasurface opens up new world of birefringence

A novel metasurface can operate as many birefringent materials in parallel, allowing more compact manipulation of light polarization.

Paddlewheel effect could boost solid-state batteries

Researchers have shown how the rotational motion of negative ions in a solid-state electrolyte can help drive the motion of positive lithium ions.

Computational tools put novel spin on quantum materials

Researchers have developed a theoretical foundation and computational tools for accurately predicting the spin dynamics of any material.

Hopfion knots found hiding in ferroelectric nanoparticles

Computer simulations have revealed that the polarization of ferroelectric nanoparticles adopts a geometrical structure of knots called a Hopfion.

Metals in the middle create new library of 2D materials

By inserting metal atoms between transition metal dichalcogenide monolayers, researchers have created a whole new library of 2D materials.

Radiation can push atoms in ceramics to the boundary

Researchers have discovered that carbon atoms in the ceramic material silicon carbide collect at grain boundaries when it is exposed to radiation.

Cracking new AI system for predicting material properties

Researchers have developed a new artificial intelligence system that can determine material properties such as toughness in a matter of milliseconds.

Graphene can help produce stronger carbon fibers

Researchers have discovered that adding graphene to the carbon fiber production process can greatly increase the strengthen of the material.

Quantum state could be ‘reincarnated’ in 3D topological materials

Physicists have found surprising evidence that an electronic state known as the quantum Hall effect could be ‘reincarnated’ in 3D topological materials.

Structural control gives sea urchins strength

mineralized skeletons of sea urchins that are light and robust hold important clues for analyzing and designing artificial porous materials

Machine learning separates out best-performing polymer membranes

Researchers have combined big data and machine learning to selectively design gas-filtering polymer membranes to reduce greenhouse gas emissions.

Special Issue on In-line metrology, design optimization and material development in additive manufacturing

New technique helps solve puzzle of battery decline

By combining machine learning with X-ray tomography, scientists have produced a detailed picture of how battery cathodes degrade with use.