697 research outputs found
Exact Constructions of a Family of Dense Periodic Packings of Tetrahedra
The determination of the densest packings of regular tetrahedra (one of the
five Platonic solids) is attracting great attention as evidenced by the rapid
pace at which packing records are being broken and the fascinating packing
structures that have emerged. Here we provide the most general analytical
formulation to date to construct dense periodic packings of tetrahedra with
four particles per fundamental cell. This analysis results in six-parameter
family of dense tetrahedron packings that includes as special cases recently
discovered "dimer" packings of tetrahedra, including the densest known packings
with density . This study strongly suggests that
the latter set of packings are the densest among all packings with a
four-particle basis. Whether they are the densest packings of tetrahedra among
all packings is an open question, but we offer remarks about this issue.
Moreover, we describe a procedure that provides estimates of upper bounds on
the maximal density of tetrahedron packings, which could aid in assessing the
packing efficiency of candidate dense packings.Comment: It contains 25 pages, 5 figures
Densest local packing diversity. II. Application to three dimensions
The densest local packings of N three-dimensional identical nonoverlapping
spheres within a radius Rmin(N) of a fixed central sphere of the same size are
obtained for selected values of N up to N = 1054. In the predecessor to this
paper [A.B. Hopkins, F.H. Stillinger and S. Torquato, Phys. Rev. E 81 041305
(2010)], we described our method for finding the putative densest packings of N
spheres in d-dimensional Euclidean space Rd and presented those packings in R2
for values of N up to N = 348. We analyze the properties and characteristics of
the densest local packings in R3 and employ knowledge of the Rmin(N), using
methods applicable in any d, to construct both a realizability condition for
pair correlation functions of sphere packings and an upper bound on the maximal
density of infinite sphere packings. In R3, we find wide variability in the
densest local packings, including a multitude of packing symmetries such as
perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest
local packings of N spheres near a central sphere to minimal-energy
configurations of N+1 points interacting with short-range repulsive and
long-range attractive pair potentials, e.g., 12-6 Lennard-Jones, and find that
they are in general completely different, a result that has possible
implications for nucleation theory. We also compare the densest local packings
to finite subsets of stacking variants of the densest infinite packings in R3
(the Barlow packings) and find that the densest local packings are almost
always most similar, as measured by a similarity metric, to the subsets of
Barlow packings with the smallest number of coordination shells measured about
a single central sphere, e.g., a subset of the FCC Barlow packing. We
additionally observe that the densest local packings are dominated by the
spheres arranged with centers at precisely distance Rmin(N) from the fixed
sphere's center.Comment: 45 pages, 18 figures, 2 table
Quantification of Order in the Lennard-Jones System
We conduct a numerical investigation of structural order in the shifted-force
Lennard-Jones system by calculating metrics of translational and
bond-orientational order along various paths in the phase diagram covering
equilibrium solid, liquid, and vapor states. A series of non-equilibrium
configurations generated through isochoric quenches, isothermal compressions,
and energy minimizations are also considered. Simulation results are analyzed
using an ordering map representation [Torquato et al., Phys. Rev. Lett. 84,
2064 (2000); Truskett et al., Phys. Rev. E 62, 993 (2000)] that assigns to both
equilibrium and non-equilibrium states coordinates in an order metric plane.
Our results show that bond-orientational order and translational order are not
independent for simple spherically symmetric systems at equilibrium. We also
demonstrate quantitatively that the Lennard-Jones and hard sphere systems
sample the same configuration space at supercritical densities. Finally, we
relate the structural order found in fast-quenched and minimum-energy
configurations (inherent structures).Comment: 35 pages, 8 figure
Stochastic reconstruction of sandstones
A simulated annealing algorithm is employed to generate a stochastic model
for a Berea and a Fontainebleau sandstone with prescribed two-point probability
function, lineal path function, and ``pore size'' distribution function,
respectively. We find that the temperature decrease of the annealing has to be
rather quick to yield isotropic and percolating configurations. A comparison of
simple morphological quantities indicates good agreement between the
reconstructions and the original sandstones. Also, the mean survival time of a
random walker in the pore space is reproduced with good accuracy. However, a
more detailed investigation by means of local porosity theory shows that there
may be significant differences of the geometrical connectivity between the
reconstructed and the experimental samples.Comment: 12 pages, 5 figure
Collective Coordinate Control of Density Distributions
Real collective density variables [c.f.
Eq.\ref{Equation3})] in many-particle systems arise from non-linear
transformations of particle positions, and determine the structure factor
, where denotes the wave vector. Our objective is to
prescribe and then to find many-particle configurations
that correspond to such a target using a numerical optimization
technique. Numerical results reported here extend earlier one- and
two-dimensional studies to include three dimensions. In addition, they
demonstrate the capacity to control in the neighborhood of
0. The optimization method employed generates
multi-particle configurations for which , , and 1, 2, 4,
6, 8, and 10. The case 1 is relevant for the Harrison-Zeldovich
model of the early universe, for superfluid , and for jammed
amorphous sphere packings. The analysis also provides specific examples of
interaction potentials whose classical ground state are configurationally
degenerate and disordered.Comment: 26 pages, 8 figure
Comment on "Jamming at zero temperature and zero applied stress: The epitome of disorder"
O'Hern, Silbert, Liu and Nagel [Phys. Rev. E. 68, 011306 (2003)] (OSLN) claim
that a special point of a "jamming phase diagram" (in density, temperature,
stress space) is related to random close packing of hard spheres, and that it
represents, for their suggested definitions of jammed and random, the recently
introduced maximally random jammed state. We point out several difficulties
with their definitions and question some of their claims. Furthermore, we
discuss the connections between their algorithm and other hard-sphere packing
algorithms in the literature.Comment: 4 pages of text, already publishe
Dense sphere packings from optimized correlation functions
Elementary smooth functions (beyond contact) are employed to construct pair
correlation functions that mimic jammed disordered sphere packings. Using the
g2-invariant optimization method of Torquato and Stillinger [J. Phys. Chem. B
106, 8354, 2002], parameters in these functions are optimized under necessary
realizability conditions to maximize the packing fraction phi and average
number of contacts per sphere Z. A pair correlation function that incorporates
the salient features of a disordered packing and that is smooth beyond contact
is shown to permit a phi of 0.6850: this value represents a 45% reduction in
the difference between the maximum for congruent hard spheres in three
dimensions, pi/sqrt{18} ~ 0.7405, and 0.64, the approximate fraction associated
with maximally random jammed (MRJ) packings in three dimensions. We show that,
surprisingly, the continued addition of elementary functions consisting of
smooth sinusoids decaying as r^{-4} permits packing fractions approaching
pi/sqrt{18}. A translational order metric is used to discriminate between
degrees of order in the packings presented. We find that to achieve higher
packing fractions, the degree of order must increase, which is consistent with
the results of a previous study [Torquato et al., Phys. Rev. Lett. 84, 2064,
2000].Comment: 26 pages, 9 figures, 1 table; added references, fixed typos,
simplified argument and discussion in Section IV
Robust Algorithm to Generate a Diverse Class of Dense Disordered and Ordered Sphere Packings via Linear Programming
We have formulated the problem of generating periodic dense paritcle packings
as an optimization problem called the Adaptive Shrinking Cell (ASC) formulation
[S. Torquato and Y. Jiao, Phys. Rev. E {\bf 80}, 041104 (2009)]. Because the
objective function and impenetrability constraints can be exactly linearized
for sphere packings with a size distribution in -dimensional Euclidean space
, it is most suitable and natural to solve the corresponding ASC
optimization problem using sequential linear programming (SLP) techniques. We
implement an SLP solution to produce robustly a wide spectrum of jammed sphere
packings in for and with a diversity of disorder
and densities up to the maximally densities. This deterministic algorithm can
produce a broad range of inherent structures besides the usual disordered ones
with very small computational cost by tuning the radius of the {\it influence
sphere}. In three dimensions, we show that it can produce with high probability
a variety of strictly jammed packings with a packing density anywhere in the
wide range . We also apply the algorithm to generate various
disordered packings as well as the maximally dense packings for
and 6. Compared to the LS procedure, our SLP protocol is able to ensure that
the final packings are truly jammed, produces disordered jammed packings with
anomalously low densities, and is appreciably more robust and computationally
faster at generating maximally dense packings, especially as the space
dimension increases.Comment: 34 pages, 6 figure
A simple Monte Carlo model for crowd dynamics
In this paper we introduce a simple Monte Carlo method for simulating the
dynamics of a crowd. Within our model a collection of hard-disk agents is
subjected to a series of two-stage steps, implying (i) the displacement of one
specific agent followed by (ii) a rearrangement of the rest of the group
through a Monte Carlo dynamics. The rules for the combined steps are determined
by the specific setting of the granular flow, so that our scheme should be
easily adapted to describe crowd dynamics issues of many sorts, from stampedes
in panic scenarios to organized flow around obstacles or through bottlenecks.
We validate our scheme by computing the serving times statistics of a group of
agents crowding to be served around a desk. In the case of a size homogeneous
crowd, we recover intuitive results prompted by physical sense. However, as a
further illustration of our theoretical framework, we show that heterogeneous
systems display a less obvious behavior, as smaller agents feature shorter
serving times. Finally, we analyze our results in the light of known properties
of non-equilibrium hard-disk fluids and discuss general implications of our
model.Comment: to be published in Physical Review
Density of States for a Specified Correlation Function and the Energy Landscape
The degeneracy of two-phase disordered microstructures consistent with a
specified correlation function is analyzed by mapping it to a ground-state
degeneracy. We determine for the first time the associated density of states
via a Monte Carlo algorithm. Our results are described in terms of the
roughness of the energy landscape, defined on a hypercubic configuration space.
The use of a Hamming distance in this space enables us to define a roughness
metric, which is calculated from the correlation function alone and related
quantitatively to the structural degeneracy. This relation is validated for a
wide variety of disordered systems.Comment: Accepted for publication in Physical Review Letter
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