660 research outputs found
Ab Initio Calculations of the Spin-Half XY Model
In this article, the correlated basis-function (CBF) method is applied for
the first time to the quantum spin-half {\it XY} model on the linear chain, the
square lattice, and the simple cubic lattice. In this treatment of the quantum
spin-half {\it XY} model a Jastrow ansatz is utilised to approximate the
ground-state wave function. Results for the ground-state energy and the
sublattice magnetisation are presented, and evidence that the CBF detects the
quantum phase transition point in this model is also presented. The CBF results
are compared to previous coupled cluster method (CCM) results for the spin-half
{\it XY} model, and the two formalisms are then compared and contrasted.Comment: 10 pages, 3 figure
Ab Initio Treatments of the Ising Model in a Transverse Field
In this article, new results are presented for the zero-temperature
ground-state properties of the spin-half transverse Ising model on various
lattices using three different approximate techniques. These are, respectively,
the coupled cluster method, the correlated basis function method, and the
variational quantum Monte Carlo method. The methods, at different levels of
approximation, are used to study the ground-state properties of these systems,
and the results are found to be in excellent agreement both with each other and
with results of exact calculations for the linear chain and results of exact
cumulant series expansions for lattices of higher spatial dimension. The
different techniques used are compared and contrasted in the light of these
results, and the constructions of the approximate ground-state wave functions
are especially discussed.Comment: 28 Pages, 4 Figures, 1 Tabl
Magnetic phases of the mixed-spin Heisenberg model on a square lattice
We study the zero-temperature phase diagram and the low-energy excitations of
a mixed-spin () Heisenberg model defined on a square lattice
by using a spin-wave analysis, the coupled cluster method, and the Lanczos
exact-diagonalization technique. As a function of the frustration parameter
(), the phase diagram exhibits a quantized ferrimagnetic phase,
a canted spin phase, and a mixed-spin collinear phase. The presented results
point towards a strong disordering effect of the frustration and quantum spin
fluctuations in the vicinity of the classical spin-flop transition. In the
extreme quantum system , we find indications of a new
quantum spin state in the region Comment: 5 PRB pages, 7 figure
High throughput genomic sequencing of bioaerosols in broiler chicken production facilities
Chronic inhalation exposure to agricultural dust promotes the development of chronic respiratory diseases among poultry workers. Poultry dust is composed of dander, chicken feed, litter bedding and microbes. However, the microbial composition and abundance has not been fully elucidated. Genomic DNA was extracted from settled dust and personal inhalable dust collected while performing litter sampling or mortality collection tasks. DNA libraries were sequenced using a paired-end sequencing-by-synthesis approach on an Illumina HiSeq 2500. Sequencing data showed that poultry dust is predominantly composed of bacteria (64–67%) with a small quantity of avian, human and feed DNA (\u3c 2% of total reads). Staphylococcus sp. AL1, Salinicoccus carnicancri and Lactobacillus crispatus were the most abundant bacterial species in personal exposure samples of inhalable dust. Settled dust had a moderate relative abundance of these species as well as Staphylococcus lentus and Lactobacillus salivarius. There was a statistical difference between the microbial composition of aerosolized and settled dust. Unlike settled dust composition, aerosolized dust composition had little variance between samples. These data provide an extensive analysis of the microbial composition and relative abundance in personal inhalable poultry dust and settled poultry dust
High-Order Coupled Cluster Method Calculations for the Ground- and Excited-State Properties of the Spin-Half XXZ Model
In this article, we present new results of high-order coupled cluster method
(CCM) calculations, based on a N\'eel model state with spins aligned in the
-direction, for both the ground- and excited-state properties of the
spin-half {\it XXZ} model on the linear chain, the square lattice, and the
simple cubic lattice. In particular, the high-order CCM formalism is extended
to treat the excited states of lattice quantum spin systems for the first time.
Completely new results for the excitation energy gap of the spin-half {\it XXZ}
model for these lattices are thus determined. These high-order calculations are
based on a localised approximation scheme called the LSUB scheme in which we
retain all -body correlations defined on all possible locales of
adjacent lattice sites (). The ``raw'' CCM LSUB results are seen to
provide very good results for the ground-state energy, sublattice
magnetisation, and the value of the lowest-lying excitation energy for each of
these systems. However, in order to obtain even better results, two types of
extrapolation scheme of the LSUB results to the limit (i.e.,
the exact solution in the thermodynamic limit) are presented. The extrapolated
results provide extremely accurate results for the ground- and excited-state
properties of these systems across a wide range of values of the anisotropy
parameter.Comment: 31 Pages, 5 Figure
User needs, benefits and integration of robotic systems in a space station laboratory
The methodology, results and conclusions of the User Needs, Benefits, and Integration Study (UNBIS) of Robotic Systems in the Space Station Microgravity and Materials Processing Facility are summarized. Study goals include the determination of user requirements for robotics within the Space Station, United States Laboratory. Three experiments were selected to determine user needs and to allow detailed investigation of microgravity requirements. A NASTRAN analysis of Space Station response to robotic disturbances, and acceleration measurement of a standard industrial robot (Intelledex Model 660) resulted in selection of two ranges of low gravity manipulation: Level 1 (10-3 to 10-5 G at greater than 1 Hz.) and Level 2 (less than = 10-6 G at 0.1 Hz). This included an evaluation of microstepping methods for controlling stepper motors and concluded that an industrial robot actuator can perform milli-G motion without modification. Relative merits of end-effectors and manipulators were studied in order to determine their ability to perform a range of tasks related to the three low gravity experiments. An Effectivity Rating was established for evaluating these robotic system capabilities. Preliminary interface requirements were determined such that definition of requirements for an orbital flight demonstration experiment may be established
Excited states of quantum many-body interacting systems: A variational coupled-cluster description
We extend recently proposed variational coupled-cluster method to describe
excitation states of quantum many-body interacting systems. We discuss, in
general terms, both quasiparticle excitations and quasiparticle-density-wave
excitations (collective modes). In application to quantum antiferromagnets, we
reproduce the well-known spin-wave excitations, i.e. quasiparticle magnons of
spin . In addition, we obtain new, spin-zero magnon-density-wave
excitations which has been missing in Anserson's spin-wave theory. Implications
of these new collective modes are discussed.Comment: 17 pages, 4 figure
High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States
In this article, we prove that exact representations of dimer and plaquette
valence-bond ket ground states for quantum Heisenberg antiferromagnets may be
formed via the usual coupled cluster method (CCM) from independent-spin product
(e.g. N\'eel) model states. We show that we are able to provide good results
for both the ground-state energy and the sublattice magnetization for dimer and
plaquette valence-bond phases within the CCM. As a first example, we
investigate the spin-half -- model for the linear chain, and we show
that we are able to reproduce exactly the dimerized ground (ket) state at
. The dimerized phase is stable over a range of values for
around 0.5. We present evidence of symmetry breaking by considering
the ket- and bra-state correlation coefficients as a function of . We
then consider the Shastry-Sutherland model and demonstrate that the CCM can
span the correct ground states in both the N\'eel and the dimerized phases.
Finally, we consider a spin-half system with nearest-neighbor bonds for an
underlying lattice corresponding to the magnetic material CaVO (CAVO).
We show that we are able to provide excellent results for the ground-state
energy in each of the plaquette-ordered, N\'eel-ordered, and dimerized regimes
of this model. The exact plaquette and dimer ground states are reproduced by
the CCM ket state in their relevant limits.Comment: 34 pages, 13 figures, 2 table
Electronic structure and magnetic properties of the spin-1/2 Heisenberg system CuSe2O5
A microscopic magnetic model for the spin-1/2 Heisenberg chain compound
CuSe2O5 is developed based on the results of a joint experimental and
theoretical study. Magnetic susceptibility and specific heat data give evidence
for quasi-1D magnetism with leading antiferromagnetic (AFM) couplings and an
AFM ordering temperature of 17 K. For microscopic insight, full-potential DFT
calculations within the local density approximation (LDA) were performed. Using
the resulting band structure, a consistent set of transfer integrals for an
effective one-band tight-binding model was obtained. Electronic correlations
were treated on a mean-field level starting from LDA (LSDA+U method) and on a
model level (Hubbard model). In excellent agreement of experiment and theory,
we find that only two couplings in CuSe2O5 are relevant: the nearest-neighbour
intra-chain interaction of 165 K and a non-frustrated inter-chain coupling of
20 K. From a comparison with structurally related systems (Sr2Cu(PO4)2,
Bi2CuO4), general implications for a magnetic ordering in presence of
inter-chain frustration are made.Comment: 20 pages, 8 figures, 3 table
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