Now showing items 1-9 of 9
Electrowetting controls the deposit patterns of evaporated salt water nanodroplets
This data folder contains the molecular dynamics simulations (cases and output results). This data folder has been divided into two subfolders, according to the outline of the main results section in the paper, i.e.: ...
Mechanical properties of pristine and nanoporous graphene
This data folder contains the molecular dynamics (MD) case directories and data generated from graphene simulations.
An evaluation of noise reduction algorithms for particle-based fluid simulations in multi-scale applications
This dataset contains data from reported molecular dynamics (MD) and dissipative particle dynamics (DPD) simulations. Results and system files are grouped into subfolders corresponding to the following cases: * ...
Acoustothermal atomization of water nanofilms
This data folder contains the output data from all molecular dynamics simulations carried out in this paper: Pillai et al. https://doi.org/10.1103/PhysRevLett.121.104502 .
A critical assessment of the line tension determined by the modied Young's equation
This dataset contains the output data (e.g. contact angle, contact base radius) from all molecular dynamics simulations of water nanodroplets carried out on different surfaces.
This dataset contains a deca-alanine trajectory analysed in paper "Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems" by Trstanova et.al. 2019. The trajectory was obtained using an ...
Droplet Coalescence is Initiated by Thermal Motion
This data folder contains LAMMPS input files for molecular dynamics (MD) simulations and post-processing codes used in the study: Perumanath et al. https://journals.aps.org/prl/accepted/f6070Y62F8b1396f66d06f366e35c46518e21059e .
Liquid slip over gas nanofilms
This dataset contains data from reported Molecular Dynamics (MD) simulations of shear-driven liquid flow over an infinite gas nanofilm covering a solid surface. Four computationally expensive simulations are considered, ...
Multiscale simulation of water flow through laboratory-scale nanotube membranes
This data folder contains the output data from all molecular dynamics simulations carried out in this paper.