101 research outputs found
Isostatic phase transition and instability in stiff granular materials
In this letter, structural rigidity concepts are used to understand the
origin of instabilities in granular aggregates. It is shown that: a) The
contact network of a noncohesive granular aggregate becomes exactly isostatic
in the limit of large stiffness-to-load ratio. b) Isostaticity is responsible
for the anomalously large susceptibility to perturbation of these systems, and
c) The load-stress response function of granular materials is critical
(power-law distributed) in the isostatic limit. Thus there is a phase
transition in the limit of intinitely large stiffness, and the resulting
isostatic phase is characterized by huge instability to perturbation.Comment: RevTeX, 4 pages w/eps figures [psfig]. To appear in Phys. Rev. Let
The statistics of particle velocities in dense granular flows
We present measurements of the particle velocity distribution in the flow of
granular material through vertical channels. Our study is confined to dense,
slow flows where the material shears like a fluid only in thin layers adjacent
to the walls, while a large core moves without continuous deformation, like a
solid. We find the velocity distribution to be non-Gaussian, anisotropic, and
to follow a power law at large velocities. Remarkably, the distribution is
identical in the fluid-like and solid-like regions. The velocity variance is
maximum at the core, defying predictions of hydrodynamic theories. We show
evidence of spatially correlated motion, and propose a mechanism for the
generation of fluctuational motion in the absence of shear.Comment: Submitted to Phys. Rev. Let
Force Distribution in a Granular Medium
We report on systematic measurements of the distribution of normal forces
exerted by granular material under uniaxial compression onto the interior
surfaces of a confining vessel. Our experiments on three-dimensional, random
packings of monodisperse glass beads show that this distribution is nearly
uniform for forces below the mean force and decays exponentially for forces
greater than the mean. The shape of the distribution and the value of the
exponential decay constant are unaffected by changes in the system preparation
history or in the boundary conditions. An empirical functional form for the
distribution is proposed that provides an excellent fit over the whole force
range measured and is also consistent with recent computer simulation data.Comment: 6 pages. For more information, see http://mrsec.uchicago.edu/granula
Stresses in isostatic granular systems and emergence of force chains
Progress is reported on several questions that bedevil understanding of
granular systems: (i) are the stress equations elliptic, parabolic or
hyperbolic? (ii) how can the often-observed force chains be predicted from a
first-principles continuous theory? (iii) How to relate insight from isostatic
systems to general packings? Explicit equations are derived for the stress
components in two dimensions including the dependence on the local structure.
The equations are shown to be hyperbolic and their general solutions, as well
as the Green function, are found. It is shown that the solutions give rise to
force chains and the explicit dependence of the force chains trajectories and
magnitudes on the local geometry is predicted. Direct experimental tests of the
predictions are proposed. Finally, a framework is proposed to relate the
analysis to non-isostatic and more realistic granular assemblies.Comment: 4 pages, 2 figures, Corrected typos and clkearer text, submitted to
Phys. Rev. Let
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PyCoM: a python library for large-scale analysis of residue-residue coevolution data
The version currently archived on this institutional repository is an accepted manuscript, the PDF version of the author’s final manuscript, as accepted for publication by the journal but prior to copyediting or typesetting. They can be cited using the author(s), article title, journal title, year of online publication, and DOI. They will be replaced by the final typeset articles, which may therefore contain changes. The DOI will remain the same throughout.Data availability The data underpinning this publication can be accessed from Brunel University London's data repository under CC BY license: Coevolution matrix database https://brunel.figshare.com/articles/dataset/PyCoM_ProCoM_Database_of_coevolu tion_matrices/23735613 and protein database https://brunel.figshare.com/articles/dataset/PyCoM_ProCoM_Curated_UniProt_pro tein_database/23733309 .Availability and implementation
PyCoM code is freely available from https://github.com/scdantu/pycom and PyCoMdb and the Jupyter Notebook tutorials are freely available from https://pycom.brunel.ac.uk .Supplementary information:
Supplementary data are available at Bioinformatics online at https://academic.oup.com/bioinformatics/advance-article/doi/10.1093/bioinformatics/btae166/7635577#supplementary-data .Motivation:
Computational methods to detect correlated amino acid positions in proteins have become a valuable tool to predict intra and inter-residue protein contacts, protein structures, and effects of mutation on protein stability and function. While there are many tools and webservers to compute coevolution scoring matrices, there is no central repository of alignments and coevolution matrices for large-scale studies and pattern detection leveraging on structural and biological annotation already available in UniProt.
Results:
We present a Python library, PyCoM, which enables users to query and analyse coevolution matrices and sequence alignments of 457,622 proteins, selected from UniProtKB/Swiss-Prot database (length ≤ 500 residues), from a pre-compiled coevolution matrix database (PyCoMdb). PyCoM facilitates the development of statistical analyses of residue coevolution patterns using filters on structural and biological annotation from UniProtKB/Swiss-Prot, with simple access to PyCoMdb for both novice and advanced users, supporting Jupyter Notebooks, Python scripts, and a web API access. The resource is open source and will help in generating data-driven computational models and methods to study and understand protein structures, stability, function, and design.This project made use of time on HPC granted via the UK High-End Computing Consortium for Biomolecular Simulation, HECBioSim (http://hecbiosim.ac.uk), supported by EPSRC (grant no. EP/R029407/1). Philipp Bibik was funded by Department of Computer Science, Brunel University London, summer internship programme
Some aspects of electrical conduction in granular systems of various dimensions
We report on measurements of the electrical conductivity in both a 2D
triangular lattice of metallic beads and in a chain of beads. The
voltage/current characteristics are qualitatively similar in both experiments.
At low applied current, the voltage is found to increase logarithmically in a
good agreement with a model of widely distributed resistances in series. At
high enough current, the voltage saturates due to the local welding of
microcontacts between beads. The frequency dependence of the saturation voltage
gives an estimate of the size of these welded microcontacts. The DC value of
the saturation voltage (~ 0.4 V per contact) gives an indirect measure of the
number of welded contact carrying the current within the 2D lattice. Also, a
new measurement technique provides a map of the current paths within the 2D
lattice of beads. For an isotropic compression of the 2D granular medium, the
current paths are localized in few discrete linear paths. This
quasi-onedimensional nature of the electrical conductivity thus explains the
similarity between the characteristics in the 1D and 2D systems.Comment: To be published in The European Physical Journal
Force distributions in 3D granular assemblies: Effects of packing order and inter-particle friction
We present a systematic investigation of the distribution of normal forces at
the boundaries of static packings of spheres. A new method for the efficient
construction of large hexagonal-close-packed crystals is introduced and used to
study the effect of spatial ordering on the distribution of forces. Under
uniaxial compression we find that the form for the probability distribution of
normal forces between particles does not depend strongly on crystallinity or
inter-particle friction. In all cases the distribution decays exponentially at
large forces and shows a plateau or possibly a small peak near the average
force but does not tend to zero at small forces.Comment: 9 pages including 8 figure
Force correlations and arches formation in granular assemblies
In the context of a simple microscopic schematic scalar model we study the
effects of spatial correlations in force transmission in granular assemblies.
We show that the parameters of the normalized weights distribution function,
, strongly depend on the spatial extensions,
, of such correlations. We show, then, the connections between
measurable macroscopic quantities and microscopic mechanisms enhancing
correlations. In particular we evaluate how the exponential cut-off,
, and the small forces power law exponent, , depend
on the correlation length, . If correlations go to infinity, weights are
power law distributed.Comment: 6 page
Properties of layer-by-layer vector stochastic models of force fluctuations in granular materials
We attempt to describe the stress distributions of granular packings using
lattice-based layer-by-layer stochastic models that satisfy the constraints of
force and torque balance and non-tensile forces at each site. The inherent
asymmetry in the layer-by-layer approach appears to lead to an asymmetric force
distribution, in disagreement with both experiments and general symmetry
considerations. The vertical force component probability distribution is robust
and in agreement with predictions of the scalar q model while the distribution
of horizontal force components is qualitatively different and depends on the
details of implementation.Comment: 18 pages, 12 figures (with subfigures), 1 table. Uses revtex,
epsfig,subfigure, and cite. Submitted to PRE. Plots have been bitmapped.
High-resolution version is available. Email [email protected] or
download from http://rainbow.uchicago.edu/~mbnguyen/research/vm.htm
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