8 Works

Dynamic Vorticity Banding in Discontinuously Shear Thickening Suspensions [software]

Rahul Chacko, Romain Mari, Michael Cates & Suzanne Fielding
It has recently been argued that steady-state vorticity bands cannot arise in shear thickening suspensions because the normal stress imbalance across the interface between the bands will set up particle migrations. In this Letter, we develop a simple continuum model that couples shear thickening to particle migration. We show by linear stability analysis that homogeneous flow is unstable towards vorticity banding, as expected, in the regime of negative constitutive slope. In full nonlinear computations, we...

Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space [data and software]

Matteo Degiacomi
This work features generative neural networks (autoencoders) trained on protein structures produced by molecular simulations. Autoencoders are used to obtain new, plausible conformations complementing and extending pre-existing ones, usable in a protein-protein docking scenario.

CPC code creation software as presented at Coherent Parity Check Construction for Quantum Error Correction [software]

Nicholas Chancellor
This folder contains code based on the methods of arXiv:1611.08012 by N. Chancellor, A. Kissenger, J. Roffe, S. Zohren, and D. Horsman feel free to reuse/modify but please attribute the source and cite our paper in any published work All code in this folder was written by Nicholas Chancellor We have created two versions of the code, one in GNU Octave, and one in Python 3, both sets of code provide the same functionality and...

Computing small pivot-minors [software]

Konrad K. Dabrowski
A graph G contains a graph H as a pivot-minor if H can be obtained from G by applying a sequence of vertex deletions and edge pivots. Pivot-minors play an important role in the study of rank-width. However, so far, pivot-minors have only been studied from a structural perspective. In the associated paper, we initiate a systematic study into their complexity aspects. We first prove that the Pivot-Minor problem, which asks if a given graph...

Domain wall encoding of integer variables for quantum annealing and QAOA [dataset]

Nicholas Chancellor
All of the data from the paper, as well as an easy python module or creating domain wall encodings. Marked as software, even though it also does contain the datasets.

Velocity selection in a Doppler-broadened ensemble of atoms interacting with a monochromatic laser beam [software]

James Keaveney & Ifan G Hughes
Requires Python 2.7 or newer.

Shear reversal in dense suspensions: the challenge to fabric evolution models from simulation data [software]

Rahul Chacko, Romain Mari, Suzanne Fielding & Michael Cates
Dense suspensions of hard particles are important as industrial or environmental materials (e.g. fresh concrete, food, paint or mud). To date, most constitutive models developed to describe them are, explicitly or effectively, ‘fabric evolution models’ based on: (i) a stress rule connecting the macroscopic stress to a second-rank microstructural fabric tensor 𝙌 ; and (ii) a closed time-evolution equation for 𝙌 . In dense suspensions, most of the stress comes from short-ranged pairwise steric or...

Nucleation of a sphere: the roles of curvature, confinement and ensemble [software]

Jack O. Law, Alex G. Wong, Halim Kusumaatmaja & Mark A. Miller
Demonstrate and explain how the gas-to-liquid phase transition of colloidal systems confined to a spherical surface depends on the curvature and size of the surface, and on the choice of thermodynamic ensemble. We find that the geometry of the surface affects the shape of the free energy profile and the size of the critical nucleus by altering the perimeter-area ratio of isotropic clusters. Confinement to a smaller spherical surface results in both a lower nucleation...

Registration Year

  • 2017
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Resource Types

  • Software