1,108 research outputs found
Direct calculation of the hard-sphere crystal/melt interfacial free energy
We present a direct calculation by molecular-dynamics computer simulation of
the crystal/melt interfacial free energy, , for a system of hard
spheres of diameter . The calculation is performed by thermodynamic
integration along a reversible path defined by cleaving, using specially
constructed movable hard-sphere walls, separate bulk crystal and fluid systems,
which are then merged to form an interface. We find the interfacial free energy
to be slightly anisotropic with = 0.62, 0.64 and
0.58 for the (100), (110) and (111) fcc crystal/fluid
interfaces, respectively. These values are consistent with earlier density
functional calculations and recent experiments measuring the crystal nucleation
rates from colloidal fluids of polystyrene spheres that have been interpreted
[Marr and Gast, Langmuir {\bf 10}, 1348 (1994)] to give an estimate of
for the hard-sphere system of , slightly lower
than the directly determined value reported here.Comment: 4 pages, 4 figures, submitted to Physical Review Letter
Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes
A new neutral tridentate 1,4,6-trimethyl-6-pyrrolidin-1-yl-1,4-diazepane (L) was prepared. Reacting L with trialkyls M(CH2SiMe3)3(THF)2 (M = Sc, Y) and tribenzyls M(CH2Ph)3(THF)3 (M = Sc, La) yielded trialkyl complexes (L)M(CH2SiMe3)3 (M = Sc, 1; M = Y, 2) and tribenzyl complexes (L)M(CH2Ph)3 (M = Sc, 3; M = La, 4). Complexes 1 and 2 can be converted to their corresponding ionic compounds [(L)M(CH2SiMe3)2(THF)][B(C6H5)4] (M = Sc, Y) by reaction with [PhNMe2H][B(C6H5)4] in THF. Complexes 3 and 4 can be converted to cationic species [(L)M(CH2Ph)2]+ by reaction with [PhNMe2H][B(C6F5)4] in C6D5Br in the absence of THF. The neutral complexes 1-4 and their cationic derivatives were studied as catalysts for the hydroamination/cyclization of 2,2-diphenylpent-4-en-1-amine and N-methylpent-4-en-1-amine reference substrates and compared with ligand-free Sc, Y, and La neutral and cationic catalysts. The most effective catalysts in the series were the cationic L-yttrium catalyst (for 2,2-diphenylpent-4-en-1-amine) and the cationic lanthanum systems (for N-methylpent-4-en-1-amine). For the La catalysts, evidence was obtained for release of L from the metal during catalysis.
N=8 Superspace Constraints for Three-dimensional Gauge Theories
We present a systematic analysis of the N=8 superspace constraints in three
space-time dimensions. The general coupling between vector and scalar
supermultiplets is encoded in an SO(8) tensor W_{AB} which is a function of the
matter fields and subject to a set of algebraic and super-differential
relations. We show how the conformal BLG model as well as three-dimensional
super Yang-Mills theory provide solutions to these constraints and can both be
formulated in this universal framework.Comment: 34 + 10 pages; added references, minor correction
Applications of Hilbert Module Approach to Multivariable Operator Theory
A commuting -tuple of bounded linear operators on a
Hilbert space \clh associate a Hilbert module over
in the following sense: where and
. A companion survey provides an introduction to the theory
of Hilbert modules and some (Hilbert) module point of view to multivariable
operator theory. The purpose of this survey is to emphasize algebraic and
geometric aspects of Hilbert module approach to operator theory and to survey
several applications of the theory of Hilbert modules in multivariable operator
theory. The topics which are studied include: generalized canonical models and
Cowen-Douglas class, dilations and factorization of reproducing kernel Hilbert
spaces, a class of simple submodules and quotient modules of the Hardy modules
over polydisc, commutant lifting theorem, similarity and free Hilbert modules,
left invertible multipliers, inner resolutions, essentially normal Hilbert
modules, localizations of free resolutions and rigidity phenomenon.
This article is a companion paper to "An Introduction to Hilbert Module
Approach to Multivariable Operator Theory".Comment: 46 pages. This is a companion paper to arXiv:1308.6103. To appear in
Handbook of Operator Theory, Springe
Methods to study splicing from high-throughput RNA Sequencing data
The development of novel high-throughput sequencing (HTS) methods for RNA
(RNA-Seq) has provided a very powerful mean to study splicing under multiple
conditions at unprecedented depth. However, the complexity of the information
to be analyzed has turned this into a challenging task. In the last few years,
a plethora of tools have been developed, allowing researchers to process
RNA-Seq data to study the expression of isoforms and splicing events, and their
relative changes under different conditions. We provide an overview of the
methods available to study splicing from short RNA-Seq data. We group the
methods according to the different questions they address: 1) Assignment of the
sequencing reads to their likely gene of origin. This is addressed by methods
that map reads to the genome and/or to the available gene annotations. 2)
Recovering the sequence of splicing events and isoforms. This is addressed by
transcript reconstruction and de novo assembly methods. 3) Quantification of
events and isoforms. Either after reconstructing transcripts or using an
annotation, many methods estimate the expression level or the relative usage of
isoforms and/or events. 4) Providing an isoform or event view of differential
splicing or expression. These include methods that compare relative
event/isoform abundance or isoform expression across two or more conditions. 5)
Visualizing splicing regulation. Various tools facilitate the visualization of
the RNA-Seq data in the context of alternative splicing. In this review, we do
not describe the specific mathematical models behind each method. Our aim is
rather to provide an overview that could serve as an entry point for users who
need to decide on a suitable tool for a specific analysis. We also attempt to
propose a classification of the tools according to the operations they do, to
facilitate the comparison and choice of methods.Comment: 31 pages, 1 figure, 9 tables. Small corrections adde
Strategies to improve reference databases for soil microbiomes
Microbial populations in the soil are critical in our lives. The soil microbiome helps to grow our food, nourishing and protecting plants, while also providing important ecological services such as erosion protection, water filtration and climate regulation. We are increasingly aware of the tremendous microbial diversity that has a role in soil heath; yet, despite significant efforts to isolate microbes from the soil, we have accessed only a small fraction of its biodiversity. Even with novel cell isolation techniques
A genome-wide scan for common alleles affecting risk for autism
Although autism spectrum disorders (ASDs) have a substantial genetic basis, most of the known genetic risk has been traced to rare variants, principally copy number variants (CNVs). To identify common risk variation, the Autism Genome Project (AGP) Consortium genotyped 1558 rigorously defined ASD families for 1 million single-nucleotide polymorphisms (SNPs) and analyzed these SNP genotypes for association with ASD. In one of four primary association analyses, the association signal for marker rs4141463, located within MACROD2, crossed the genome-wide association significance threshold of P < 5 Ć 10ā8. When a smaller replication sample was analyzed, the risk allele at rs4141463 was again over-transmitted; yet, consistent with the winner's curse, its effect size in the replication sample was much smaller; and, for the combined samples, the association signal barely fell below the P < 5 Ć 10ā8 threshold. Exploratory analyses of phenotypic subtypes yielded no significant associations after correction for multiple testing. They did, however, yield strong signals within several genes, KIAA0564, PLD5, POU6F2, ST8SIA2 and TAF1C
Investigation of Semiconductor Quantum Dots for Waveguide Electroabsorption Modulator
In this work, we investigated the use of 10-layer InAs quantum dot (QD) as active region of an electroabsorption modulator (EAM). The QD-EAM is a p-i-n ridge waveguide structure with intrinsic layer thickness of 0.4 Ī¼m, width of 10 Ī¼m, and length of 1.0 mm. Photocurrent measurement reveals a Stark shift of ~5 meV (~7 nm) at reverse bias of 3 V (75 kV/cm) and broadening of the resonance peak due to field ionization of electrons and holes was observed for E-field larger than 25 kV/cm. Investigation at wavelength range of 1,300ā1320 nm reveals that the largest absorption change occurs at 1317 nm. Optical transmission measurement at this wavelength shows insertion loss of ~8 dB, and extinction ratio of ~5 dB at reverse bias of 5 V. Consequently, methods to improve the performance of the QD-EAM are proposed. We believe that QDs are promising for EAM and the performance of QD-EAM will improve with increasing research efforts
Nernst effect of the new iron-based superconductor LaOFFeAs
We report the first Nernst effect measurement on the new iron-based
superconductor LaOFFeAs . In the normal state, the
Nernst signal is negative and very small. Below a large positive peak
caused by vortex motion is observed. The flux flowing regime is quite large
compared to conventional type-II superconductors. However, a clear deviation of
the Nernst signal from normal state background and an anomalous depression of
off-diagonal thermoelectric current in the normal state between and 50
K are observed. We propose that this anomaly in the normal state Nernst effect
could correlate with the SDW fluctuations.Comment: 8 pages, 4 figures; Latex file changed, references adde
Measurement of the rate of nu_e + d --> p + p + e^- interactions produced by 8B solar neutrinos at the Sudbury Neutrino Observatory
Solar neutrinos from the decay of B have been detected at the Sudbury
Neutrino Observatory (SNO) via the charged current (CC) reaction on deuterium
and by the elastic scattering (ES) of electrons. The CC reaction is sensitive
exclusively to nu_e's, while the ES reaction also has a small sensitivity to
nu_mu's and nu_tau's. The flux of nu_e's from ^8B decay measured by the CC
reaction rate is
\phi^CC(nu_e) = 1.75 +/- 0.07 (stat)+0.12/-0.11 (sys.) +/- 0.05(theor) x 10^6
/cm^2 s.
Assuming no flavor transformation, the flux inferred from the ES reaction
rate is
\phi^ES(nu_x) = 2.39+/-0.34 (stat.)+0.16}/-0.14 (sys) x 10^6 /cm^2 s.
Comparison of \phi^CC(nu_e) to the Super-Kamiokande Collaboration's precision
value of \phi^ES(\nu_x) yields a 3.3 sigma difference, providing evidence that
there is a non-electron flavor active neutrino component in the solar flux. The
total flux of active ^8B neutrinos is thus determined to be 5.44 +/-0.99 x
10^6/cm^2 s, in close agreement with the predictions of solar models.Comment: 6 pages (LaTex), 3 figures, submitted to Phys. Rev. Letter
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