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Computation CHANGE TOPIC

Computation and theory news, June 2018

Functional groups can help carry the load

Scientists have discovered how the mechanical properties of MOFs relate to their structure, particularly the role played by functional groups.

New composite binder cements place in concrete

A new composite binder made primarily of fly ash, a by-product of coal-fired power plants, can replace Portland cement in concrete.

Computer simulations have revealed that certain halide double perovskites could make effective photocatalysts for splitting water.

A new cathode material comprising iron trifluoride nanorods with added cobalt and oxygen could triple the energy density of lithium-ion batteries.

A new type of 3D-printable ink with tiny magnetic particles produces soft structures that can move in complex ways in response to a magnetic field.

Elsevier releases 2017 CiteScore values.

Scientists have confirmed a magnetic property known as ‘chirality’ in nanometer-thick samples of amorphous, multilayered metal-based materials.

Using novel analytical techniques, scientists have been able to study the behavior of excitons trapped in quantum wells made of perovskite compounds.

Neural networks can predict the light-scattering properties of layered nanoparticles and design nanoparticles for a desired light-scattering behavior.

Scientists have found that the most effective thermoelectric materials can be realized by shaping substances such as tin telluride into 1D nanowires.

Scientists have trained a neural network to recognize features in a material's x-ray absorption spectrum that are sensitive to the arrangement of atoms.

Scientists have developed a blueprint for fabricating new heterostructures from different types of two-dimensional materials.

Scientists have shown they can predict the failure of granular materials such as gravel by monitoring naturally arising acoustic vibrations.

Physicists have calculated that exposing a topological semimetal to a magnetic field could turn it into a highly efficient thermoelectric material.

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