213 citations · 280 across the 6 of their papers we have counts for
6 papers
Interlayer Pores Play a Limited Role in Diffusion Through Hydrated Na-MMT: Insights from a Multiscale, Experimentally Anchored Model
Yaoting Zhang, Mikaella Brillantes, Justine Kuczera +8
This study investigates interlayer diffusion dynamics in sodium montmorillonite (Na--MMT), a smectite clay widely used in environmental remediation, pharmaceutical formulations, an…
Simulating the fabrication of aluminium oxide tunnel junctions
M. J. Cyster, J. S. Smith, N. Vogt +3
Aluminium oxide (AlO) tunnel junctions are important components in a range of nanoelectric devices including superconducting qubits where they can be used as Josephson…
Chiminey: Reliable Computing and Data Management Platform in the Cloud
Iman I. Yusuf, Ian E. Thomas, Maria Spichkova +7
The enabling of scientific experiments that are embarrassingly parallel, long running and data-intensive into a cloud-based execution environment is a desirable, though complex und…
Bonding trends within ternary Isocoordinate chalcogenide glasses GeAsSe
G. Opletal, R. P. Wang, S. P. Russo
A structural study is presented of ab-initio molecular dynamics simulations of Ge-As-Se calcogenide glasses performed at the same mean coordination number but differing stoichiomet…
Crystallization in suspensions of hard spheres: A Monte Carlo and Molecular Dynamics simulation study
Tanja Schilling, Sven Dorosz, Hans Joachim Schoepe +1
The crystallization of a metastable melt is one of the most important non equilibrium phenomena in condensed matter physics, and hard sphere colloidal model systems have been used…
Precursor-mediated crystallization process in suspensions of hard spheres
T. Schilling, H. J. Schope, M. Oettel +2
We report on a large scale computer simulation study of crystal nucleation in hard spheres. Through a combined analysis of real and reciprocal space data, a picture of a two-step c…