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

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

Magnetic phases of the mixed-spin J1−J2J_1-J_2 Heisenberg model on a square lattice

We study the zero-temperature phase diagram and the low-energy excitations of a mixed-spin ($S_1>S_2$) $J_1-J_2$ 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 $J_2/J_1$ ($>0$), 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 $(S_1,S_2)=(1,{1/2})$, we find indications of a new quantum spin state in the region $0.46< J_2/J_1<0.5$Comment: 5 PRB pages, 7 figure

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 $z$-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$m$ scheme in which we retain all $k$-body correlations defined on all possible locales of $m$ adjacent lattice sites ($k \le m$). The ``raw'' CCM LSUB$m$ 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$m$ results to the limit $m \to \infty$ (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 $\pm 1$. 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 $J_1$--$J_2$ model for the linear chain, and we show that we are able to reproduce exactly the dimerized ground (ket) state at $J_2/J_1=0.5$. The dimerized phase is stable over a range of values for $J_2/J_1$ around 0.5. We present evidence of symmetry breaking by considering the ket- and bra-state correlation coefficients as a function of $J_2/J_1$. 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 CaV$_4$O$_9$ (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