500 research outputs found
Solitonic approach to the dimerization problem in correlated one-dimensional systems
Using exact diagonalizations we consider self-consistently the lattice
distortions in odd Peierls-Hubbard and spin-Peierls periodic rings in the
adiabatic harmonic approximation. From the tails of the inherent spin soliton
the dimerization d_\infty of regular even rings is found by extrapolations to
infinite ring lengths. Considering a wide region of electron-electron onsite
interaction values U>0 compared with the band width 4t_0 at intermediately
strong electron-phonon interaction g, known relationships obtained by other
methods are reproduced and/or refined within one unified approach: such as the
maximum of d_\infty at U \simeq 3 t_0 for g \simeq 0.5 and its shift to zero
for g \to g_c \approx 0.7. The hyperbolic tangent shape of the spin soliton is
retained for any U and g <~ 0.6. In the spin-Peierls limit the d_\infty are
found to be in agreement with results of DMRG computations.Comment: 4 pages, 4 figures, Physical Review B, Rapid Communications, v. 56
(1997) accepte
Exact Entanglement Studies of Strongly Correlated Systems: Role of Long-Range Interactions and Symmetries of the System
We study the bipartite entanglement of strongly correlated systems using
exact diagonalization techniques. In particular, we examine how the
entanglement changes in the presence of long-range interactions by studying the
Pariser-Parr-Pople model with long-range interactions. We compare the results
for this model with those obtained for the Hubbard and Heisenberg models with
short-range interactions. This study helps us to understand why the density
matrix renormalization group (DMRG) technique is so successful even in the
presence of long-range interactions. To better understand the behavior of
long-range interactions and why the DMRG works well with it, we study the
entanglement spectrum of the ground state and a few excited states of finite
chains. We also investigate if the symmetry properties of a state vector have
any significance in relation to its entanglement. Finally, we make an
interesting observation on the entanglement profiles of different states
(across the energy spectrum) in comparison with the the corresponding profile
of the density of states. We use isotropic chains and a molecule with
non-Abelian symmetry for these numerical investigations.Comment: 24 pages, 11 figures and 2 table
Electronic polarization in pentacene crystals and thin films
Electronic polarization is evaluated in pentacene crystals and in thin films
on a metallic substrate using a self-consistent method for computing charge
redistribution in non-overlapping molecules. The optical dielectric constant
and its principal axes are reported for a neutral crystal. The polarization
energies P+ and P- of a cation and anion at infinite separation are found for
both molecules in the crystal's unit cell in the bulk, at the surface, and at
the organic-metal interface of a film of N molecular layers. We find that a
single pentacene layer with herring-bone packing provides a screening
environment approaching the bulk. The polarization contribution to the
transport gap P=(P+)+(P-), which is 2.01 eV in the bulk, decreases and
increases by only ~ 10% at surfaces and interfaces, respectively. We also
compute the polarization energy of charge-transfer (CT) states with fixed
separation between anion and cation, and compare to electroabsorption data and
to submolecular calculations. Electronic polarization of ~ 1 eV per charge has
a major role for transport in organic molecular systems with limited overlap.Comment: 10 revtex pages, 6 PS figures embedde
Dominant ferromagnetism in the spin-1/2 half-twist ladder 334 compounds, Ba3Cu3In4O12 and Ba3Cu3Sc4O12
The magnetic properties of polycrystalline samples of Ba3Cu3In4O12 (In-334)
and Ba3Cu3Sc4O12 (Sc-334) are reported. Both 334 phases have a structure
derived from perovskite, with CuO4 squares interconnected to form half-twist
ladders along the c-axis. The Cu-O-Cu angles, ~ 90o, and the positive Weiss
temperatures indicate the presence of significant ferromagnetic (FM)
interactions along the Cu ladders. At low temperatures, T < 20 K, sharp
transitions in the magnetic susceptibility and heat capacity measurements
indicate three-dimensional (3D) antiferromagnetic (AFM) ordering at TN. TN is
suppressed on application of a field and a complex magnetic phase diagram with
three distinct magnetic regimes below the upper critical field can be inferred
from our measurements. The magnetic interactions are discussed in relation to a
modified spin-1/2 FM-AFM model and the 334 half-twist ladder is compared to
other 2-rung ladder spin-1/2 systems.Comment: 20 pages, 7 figure
Bit-Vector Model Counting using Statistical Estimation
Approximate model counting for bit-vector SMT formulas (generalizing \#SAT)
has many applications such as probabilistic inference and quantitative
information-flow security, but it is computationally difficult. Adding random
parity constraints (XOR streamlining) and then checking satisfiability is an
effective approximation technique, but it requires a prior hypothesis about the
model count to produce useful results. We propose an approach inspired by
statistical estimation to continually refine a probabilistic estimate of the
model count for a formula, so that each XOR-streamlined query yields as much
information as possible. We implement this approach, with an approximate
probability model, as a wrapper around an off-the-shelf SMT solver or SAT
solver. Experimental results show that the implementation is faster than the
most similar previous approaches which used simpler refinement strategies. The
technique also lets us model count formulas over floating-point constraints,
which we demonstrate with an application to a vulnerability in differential
privacy mechanisms
Sampling strategies and biodiversity of influenza A subtypes in wild birds
Wild aquatic birds are recognized as the natural reservoir of avian influenza A viruses (AIV), but across high and low pathogenic AIV strains, scientists have yet to rigorously identify most competent hosts for the various subtypes. We examined 11,870 GenBank records to provide a baseline inventory and insight into patterns of global AIV subtype diversity and richness. Further, we conducted an extensive literature review and communicated directly with scientists to accumulate data from 50 non-overlapping studies and over 250,000 birds to assess the status of historic sampling effort. We then built virus subtype sample-based accumulation curves to better estimate sample size targets that capture a specific percentage of virus subtype richness at seven sampling locations. Our study identifies a sampling methodology that will detect an estimated 75% of circulating virus subtypes from a targeted bird population and outlines future surveillance and research priorities that are needed to explore the influence of host and virus biodiversity on emergence and transmission
Analytical solutions to the third-harmonic generation in trans-polyacetylene: Application of dipole-dipole correlation on the single electron models
The analytical solutions for the third-harmonic generation (THG) on infinite
chains in both Su-Shrieffer-Heeger (SSH) and Takayama-Lin-Liu-Maki (TLM) models
of trans-polyacetylene are obtained through the scheme of dipole-dipole ()
correlation. They are not equivalent to the results obtained through static
current-current () correlation or under polarization operator
. The van Hove singularity disappears exactly in the analytical forms,
showing that the experimentally observed two-photon absorption peak (TPA) in
THG may not be directly explained by the single electron models.Comment: 10 pages, 4 figures, submitted to Phys. Rev.
Crystal Field and Dzyaloshinsky-Moriya Interaction in orbitally ordered La_{0.95}Sr_{0.05}MnO_3: An ESR Study
We present a comprehensive analysis of Dzyaloshinsky-Moriya interaction and
crystal-field parameters using the angular dependence of the paramagnetic
resonance shift and linewidth in single crystals of La_{0.95}Sr_{0.05}MnO_3
within the orthorhombic Jahn-Teller distorted phase. The Dzyaloshinsky-Moriya
interaction (~ 1K) results from the tilting of the MnO_6 octahedra against each
other. The crystal-field parameters D and E are found to be of comparable
magnitude (~ 1K) with D ~= -E. This indicates a strong mixing of the |3z^2-r^2>
and |x^2-y^2> states for the real orbital configuration.Comment: 12 pages, 6 figure
Altered Expression of Insulin Receptor Isoforms in Breast Cancer
PURPOSE: Insulin-like growth factor (IGF) signaling through human insulin receptor isoform A (IR-A) contributes to tumorigenesis and intrinsic resistance to anti-IGF1R therapy. In the present study, we (a) developed quantitative TaqMan real time-PCR-based assays (qRT-PCR) to measure human insulin receptor isoforms with high specificity, (b) evaluated isoform expression levels in molecularly-defined breast cancer subtypes, and (c) identified the IR-A:IR-B mRNA ratio as a potential biomarker guiding patient stratification for anti-IGF therapies. EXPERIMENTAL DESIGN: mRNA expression levels of IR-A and IR-B were measured in 42 primary breast cancers and 19 matched adjacent normal tissues with TaqMan qRT-PCR assays. The results were further confirmed in 165 breast cancers. The tumor samples were profiled using whole genome microarrays and subsequently subtyped using the PAM50 breast cancer gene signature. The relationship between the IR-A:IR-B ratio and cancer subtype, as well as markers of proliferation were characterized. RESULTS: The mRNA expression levels of IR-A in the breast tumors were similar to those observed in the adjacent normal tissues, while the mRNA levels of IR-B were significantly decreased in tumors. The IR-A:IR-B ratio was significantly higher in luminal B breast cancer than in luminal A. Strong concordance between the IR-A:IR-B ratio and the composite Oncotype DX proliferation score was observed for stratifying the latter two breast cancer subtypes. CONCLUSIONS: The reduction in IR-B expression is the key to the altered IR-A:IR-B ratio observed in breast cancer. The IR-A:IR-B ratio may have biomarker utility in guiding a patient stratification strategy for an anti-IGF therapeutic
Calcium oxalate crystals induce renal inflammation by NLRP3-mediated IL-1β secretion
Nephrocalcinosis, acute calcium oxalate (CaOx) nephropathy, and renal stone disease can lead to inflammation and subsequent renal failure, but the underlying pathological mechanisms remain elusive. Other crystallopathies, such as gout, atherosclerosis, and asbestosis, trigger inflammation and tissue remodeling by inducing IL-1β secretion, leading us to hypothesize that CaOx crystals may induce inflammation in a similar manner. In mice, intrarenal CaOx deposition induced tubular damage, cytokine expression, neutrophil recruitment, and renal failure. We found that CaOx crystals activated murine renal DCs to secrete IL-1β through a pathway that included NLRP3, ASC, and caspase-1. Despite a similar amount of crystal deposits, intrarenal inflammation, tubular damage, and renal dysfunction were abrogated in mice deficient in MyD88; NLRP3, ASC, and caspase-1; IL-1R; or IL-18. Nephropathy was attenuated by DC depletion, ATP depletion, or therapeutic IL-1 antagonism. These data demonstrated that CaOx crystals trigger IL-1β–dependent innate immunity via the NLRP3/ASC/caspase-1 axis in intrarenal mononuclear phagocytes and directly damage tubular cells, leading to the release of the NLRP3 agonist ATP. Furthermore, these results suggest that IL-1β blockade may prevent renal damage in nephrocalcinosis
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