Interatomic potentials: Achievements and challenges

MH Müser, SV Sukhomlinov, L Pastewka - Advances in Physics: X, 2023 - Taylor & Francis
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 …

A Cenozoic Record of Deep Oceanic Zn Isotopic Composition in Ferromanganese Crusts

M Zhao, N Planavsky, X Wang, Y Zhang… - American Journal of …, 2023 - ajsonline.org
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 …

Interactions between interfaces dictate stimuli-responsive emulsion behaviour

M Rey, J Kolker, JA Richards, I Malhotra… - Nature …, 2023 - nature.com
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 …

A review on Machine learning aspect in physics and mechanics of glasses

J Singh, S Singh - Materials Science and Engineering: B, 2022 - Elsevier
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 …

An enhanced version of the heat exchange algorithm with excellent energy conservation properties

P Wirnsberger, D Frenkel, C Dellago - The Journal of chemical physics, 2015 - pubs.aip.org
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 …

Excess-entropy scaling in supercooled binary mixtures

IH Bell, JC Dyre, TS Ingebrigtsen - Nature communications, 2020 - nature.com
Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence
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

J Wong-Ekkabut, M Karttunen - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Molecular dynamics (MD) simulations have become popular in materials science,
biochemistry, biophysics and several other fields. Improvements in computational resources …

Graphene oxide papers with high water adsorption capacity for air dehumidification

R Liu, T Gong, K Zhang, C Lee - Scientific reports, 2017 - nature.com
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 …

Multi-shell hollow nanogels with responsive shell permeability

AJ Schmid, J Dubbert, AA Rudov, JS Pedersen… - Scientific Reports, 2016 - nature.com
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) …

Hollow and core–shell microgels at oil–water interfaces: Spreading of soft particles reduces the compressibility of the monolayer

K Geisel, AA Rudov, II Potemkin, W Richtering - Langmuir, 2015 - ACS Publications
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 …