Interatomic potentials: Achievements and challenges
Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …
coordinates. Their main application is the effective simulation of many-atom systems. Here …
A Cenozoic Record of Deep Oceanic Zn Isotopic Composition in Ferromanganese Crusts
Water plays a critical role in erosion and sediment transport and this relationship is most
evident in the hyperarid Atacama Desert of Northern Chile, a region characterized by …
evident in the hyperarid Atacama Desert of Northern Chile, a region characterized by …
Interactions between interfaces dictate stimuli-responsive emulsion behaviour
Stimuli-responsive emulsions offer a dual advantage, combining long-term storage with
controlled release triggered by external cues such as pH or temperature changes. This study …
controlled release triggered by external cues such as pH or temperature changes. This study …
A review on Machine learning aspect in physics and mechanics of glasses
The glass science and technology is a rapidly develo** field which is focused on
development of new glasses with excellent properties. Glasses are the non-crystalline …
development of new glasses with excellent properties. Glasses are the non-crystalline …
An enhanced version of the heat exchange algorithm with excellent energy conservation properties
We propose a new algorithm for non-equilibrium molecular dynamics simulations of thermal
gradients. The algorithm is an extension of the heat exchange algorithm developed by …
gradients. The algorithm is an extension of the heat exchange algorithm developed by …
Excess-entropy scaling in supercooled binary mixtures
Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence
on density or temperature near the glass transition. Although several theories have been …
on density or temperature near the glass transition. Although several theories have been …
[HTML][HTML] The good, the bad and the user in soft matter simulations
Molecular dynamics (MD) simulations have become popular in materials science,
biochemistry, biophysics and several other fields. Improvements in computational resources …
biochemistry, biophysics and several other fields. Improvements in computational resources …
Graphene oxide papers with high water adsorption capacity for air dehumidification
Graphene oxide (GO) has shown a high potential to adsorb and store water molecules due
to the oxygen-containing functional groups on its hydrophilic surface. In this study, we …
to the oxygen-containing functional groups on its hydrophilic surface. In this study, we …
Multi-shell hollow nanogels with responsive shell permeability
We report on hollow shell-shell nanogels with two polymer shells that have different volume
phase transition temperatures. By means of small angle neutron scattering (SANS) …
phase transition temperatures. By means of small angle neutron scattering (SANS) …
Hollow and core–shell microgels at oil–water interfaces: Spreading of soft particles reduces the compressibility of the monolayer
We investigate the influence of a solid core and of the cross-link density on the compression
of microgel particles at oil–water interfaces by means of compression isotherms and …
of microgel particles at oil–water interfaces by means of compression isotherms and …