Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method
Sinha, Debalina; Pavanello, Michele
2015-08-28
The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
DOE R&D Accomplishments Database
Lee, T. D.
1957-06-01
Experimental results on the non-conservation of parity and charge conservation in weak interactions are reviewed. The two-component theory of the neutrino is discussed. Lepton reactions are examined under the assumption of the law of conservation of leptons and that the neutrino is described by a two- component theory. From the results of this examination, the universal Fermi interactions are analyzed. Although reactions involving the neutrino can be described, the same is not true of reactions which do not involve the lepton, as the discussion of the decay of K mesons and hyperons shows. The question of the invariance of time reversal is next examined. (J.S.R.)
DOE R&D Accomplishments Database
Lee, T. D.
1970-07-01
While the phenomenon of beta-decay was discovered near the end of the last century, the notion that the weak interaction forms a separate field of physical forces evolved rather gradually. This became clear only after the experimental discoveries of other weak reactions such as muon-decay, muon-capture, etc., and the theoretical observation that all these reactions can be described by approximately the same coupling constant, thus giving rise to the notion of a universal weak interaction. Only then did one slowly recognize that the weak interaction force forms an independent field, perhaps on the same footing as the gravitational force, the electromagnetic force, and the strong nuclear and sub-nuclear forces.
Asymptotically Safe Weak Interactions
NASA Astrophysics Data System (ADS)
Calmet, Xavier
We emphasize that the electroweak interactions without a Higgs boson are very similar to quantum general relativity. The Higgs field could just be a dressing field and might not exist as a propagating particle. In that interpretation, the electroweak interactions without a Higgs boson could be renormalizable at the nonperturbative level because of a nontrivial fixed point. Tree-level unitarity in electroweak bosons scattering is restored by the running of the weak scale.
Weak Interactions and Instability Cascades.
Kadoya, Taku; McCann, Kevin S
2015-01-01
Food web theory states that a weak interactor which is positioned in the food web such that it tends to deflect, or mute, energy away from a potentially oscillating consumer-resource interaction often enhances community persistence and stability. Here we examine how adding other weak interactions (predation/harvesting) on the stabilizing weak interactor alters the stability of food web using a set of well-established food web models/modules. We show that such "weak on weak" interaction chains drive an indirect dynamic cascade that can rapidly ignite a distant consumer-resource oscillator. Nonetheless, we also show that the "weak on weak" interactions are still more stable than the food web without them, and so weak interactions still generally act to stabilize food webs. Rather, these results are best interpreted to say that the degree of the stabilizing effect of a given important weak interaction can be severely compromised by other weak interactions (including weak harvesting). PMID:26219561
Weak interactions and presupernova evolution
Aufderheide, M.B. State Univ. of New York . Dept. of Physics)
1991-02-19
The role of weak interactions, particularly electron capture and {beta}{sup {minus}} decay, in presupernova evolution is discussed. The present uncertainty in these rates is examined and the possibility of improving the situation is addressed. 12 refs., 4 figs.
Cosmology and the weak interaction
Schramm, D.N. ):)
1989-12-01
The weak interaction plays a critical role in modern Big Bang cosmology. This review will emphasize two of its most publicized cosmological connections: Big Bang nucleosynthesis and Dark Matter. The first of these is connected to the cosmological prediction of Neutrino Flavours, N{sub {nu}} {approximately} 3 which is now being confirmed at SLC and LEP. The second is interrelated to the whole problem of galaxy and structure formation in the universe. This review will demonstrate the role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure. 87 refs., 3 figs., 5 tabs.
Cosmology and the weak interaction
NASA Technical Reports Server (NTRS)
Schramm, David N.
1989-01-01
The weak interaction plays a critical role in modern Big Bang cosmology. Two of its most publicized comological connections are emphasized: big bang nucleosynthesis and dark matter. The first of these is connected to the cosmological prediction of neutrine flavors, N(sub nu) is approximately 3 which in now being confirmed. The second is interrelated to the whole problem of galacty and structure formation in the universe. The role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure is demonstrated.
Detecting weakly interacting massive particles.
NASA Astrophysics Data System (ADS)
Drukier, A. K.; Gelmini, G. B.
The growing synergy between astrophysics, particle physics, and low background experiments strengthens the possibility of detecting astrophysical non-baryonic matter. The idea of direct detection is that an incident, massive weakly interacting particle could collide with a nucleus and transfer an energy that could be measured. The present low levels of background achieved by the PNL/USC Ge detector represent a new technology which yields interesting bounds on Galactic cold dark matter and on light bosons emitted from the Sun. Further improvements require the development of cryogenic detectors. The authors analyse the practicality of such detectors, their optimalization and background suppression using the "annual modulation effect".
A Universe without Weak Interactions
Harnik, Roni; Kribs, Graham D.; Perez, Gilad
2006-04-07
A universe without weak interactions is constructed that undergoes big-bang nucleosynthesis, matter domination, structure formation, and star formation. The stars in this universe are able to burn for billions of years, synthesize elements up to iron, and undergo supernova explosions, dispersing heavy elements into the interstellar medium. These definitive claims are supported by a detailed analysis where this hypothetical ''Weakless Universe'' is matched to our Universe by simultaneously adjusting Standard Model and cosmological parameters. For instance, chemistry and nuclear physics are essentially unchanged. The apparent habitability of the Weakless Universe suggests that the anthropic principle does not determine the scale of electroweak breaking, or even require that it be smaller than the Planck scale, so long as technically natural parameters may be suitably adjusted. Whether the multi-parameter adjustment is realized or probable is dependent on the ultraviolet completion, such as the string landscape. Considering a similar analysis for the cosmological constant, however, we argue that no adjustments of other parameters are able to allow the cosmological constant to raise up even remotely close to the Planck scale while obtaining macroscopic structure. The fine-tuning problems associated with the electroweak breaking scale and the cosmological constant therefore appear to be qualitatively different from the perspective of obtaining a habitable universe.
Spin effects in the weak interaction
Freedman, S.J. Chicago Univ., IL . Dept. of Physics Chicago Univ., IL . Enrico Fermi Inst.)
1990-01-01
Modern experiments investigating the beta decay of the neutron and light nuclei are still providing important constraints on the theory of the weak interaction. Beta decay experiments are yielding more precise values for allowed and induced weak coupling constants and putting constraints on possible extensions to the standard electroweak model. Here we emphasize the implications of recent experiments to pin down the strengths of the weak vector and axial vector couplings of the nucleon.
Elementary Particles and Weak Interactions
DOE R&D Accomplishments Database
Lee, T. D.; Yang, C. N.
1957-01-01
Some general patterns of interactions between various elementary particles are reviewed and some general questions concerning the symmetry properties of these particles are studied. Topics are included on the theta-tau puzzle, experimental limits on the validity of parity conservation, some general discussions on the consequences due to possible non-invariance under P, C, and T, various possible experimental tests on invariance under P, C, and T, a two-component theory of the neutrino, a possible law of conservation of leptons and the universal Fermi interactions, and time reversal invariance and Mach's principle. (M.H.R.)
Molecular Handshake: Recognition through Weak Noncovalent Interactions
ERIC Educational Resources Information Center
Murthy, Parvathi S.
2006-01-01
The weak noncovalent interactions between substances, the handshake in the form of electrostatic interactions, van der Waals' interactions or hydrogen bonding is universal to all living and nonliving matter. They significantly influence the molecular and bulk properties and behavior of matter. Their transient nature affects chemical reactions and…
Some Topics in Weak and Electromagnetic Interactions
NASA Astrophysics Data System (ADS)
Bjorken, James D.
1982-01-01
The following sections are included: * INTRODUCTION * LECTURE I QUANTUM-ELECTRODYNAMICS TESTS; TESTS OF Jμ Jμ STRUCTURE IN WEAK INTERACTIONS; HIGHER-ORDER WEAK INTERACTIONS * LECTURE II PHENOMENOLOGY OF DEEP-INELASTIC PROCESSES; NO FINAL-STATE HADRONS OBSERVED * LECTURE III LIGHT-CONE COMMUTATORS; MODELS OF THE STRUCTURE FUNCTIONS * LECTURE IV HADRON FINAL STATES IN DEEP-INELASTIC PROCESSES; GENERAL CONSIDERATIONS * LECTURE V INCLUSIVE PROCESSES AT VERY HIGH TRANSVERSE MOMENTUM * REFERENCES
Hadronic Weak Interaction Studies at the SNS
NASA Astrophysics Data System (ADS)
Fomin, Nadia
2016-03-01
Neutrons have been a useful probe in many fields of science, as well as an important physical system for study in themselves. Modern neutron sources provide extraordinary opportunities to study a wide variety of physics topics. Among them is a detailed study of the weak interaction. An overview of studies of the hadronic weak (quark-quark) as well as semi-leptonic (quark-lepton) interactions at the Spallation Neutron Source (SNS) is presented. These measurements, done in few-nucleon systems, are finally letting us gain knowledge of the hadronic weak interaction without the contributions from nuclear effects. Forthcoming results from the NPDGamma experiment will, due to the simplicity of the neutron, provide an unambiguous measurement of the long range pion-nucleon weak coupling (often referred to as hπ), which will finally test the theoretical predictions. Results from NPDGamma and future results from the n +3 He experiment will need to be complemented by additional measurements to completely describe the hadronic weak interaction.
Resource Letter WI-1: Weak Interactions
ERIC Educational Resources Information Center
Holstein, Barry R.
1977-01-01
Provides a listing of sources of literature and teaching aids to improve course content in the fields of: weak interactions, beta decay, orbital electron capture, muon capture, semileptonic decay, nonleptonic processes, parity violation in nuclei, neutrino physics, and parity violation in atomic physics. (SL)
Baryogenesis for weakly interacting massive particles
NASA Astrophysics Data System (ADS)
Cui, Yanou; Sundrum, Raman
2013-06-01
We propose a robust, unified framework, in which the similar baryon and dark matter cosmic abundances both arise from the physics of weakly interacting massive particles (WIMPs), with the rough quantitative success of the so-called “WIMP miracle.” In particular the baryon asymmetry arises from the decay of a metastable WIMP after its thermal freeze-out at or below the weak scale. A minimal model and its embedding in R-parity violating supersymmetry are studied as examples. The new mechanism saves R-parity violating supersymmetry from the potential crisis of washing out primordial baryon asymmetry. Phenomenological implications for the LHC and precision tests are discussed.
Francium Spectroscopy for Weak Interaction Studies
NASA Astrophysics Data System (ADS)
Orozco, Luis
2014-05-01
Francium, a radioactive element, is the heaviest alkali. Its atomic and nuclear structure makes it an ideal laboratory to study the weak interaction. Laser trapping and cooling in-line with the superconducting LINAC accelerator at Stony Brook opened the precision study of its atomic structure. I will present our proposal and progress towards weak interaction measurements at TRIUMF, the National Canadian Accelerator in Vancouver. These include the commissioning run of the Francium Trapping Facility, hyperfine anomaly measurements on a chain of Fr isotopes, the nuclear anapole moment through parity non-conserving transitions in the ground state hyperfine manifold. These measurements should shed light on the nucleon-nucleon weak interaction. This work is done by the FrPNC collaboration: S. Aubin College of William and Mary, J. A. Behr TRIUMF, R. Collister U. Manitoba, E. Gomez UASLP, G. Gwinner U. Manitoba, M. R. Pearson TRIUMF, L. A. Orozco UMD, M. Tandecki TRIUMF, J. Zhang UMD Supported by NSF and DOE from the USA; TRIUMF, NRC and NSERC from Canada; and CONACYT from Mexico
Weak ENSO asymmetry due to weak nonlinear air-sea interaction in CMIP5 climate models
NASA Astrophysics Data System (ADS)
Sun, Yan; Wang, Fan; Sun, De-Zheng
2016-03-01
State-of-the-art climate models have long-standing intrinsic biases that limit their simulation and projection capabilities. Significantly weak ENSO asymmetry and weakly nonlinear air-sea interaction over the tropical Pacific was found in CMIP5 (Coupled Model Intercomparison Project, Phase 5) climate models compared with observation. The results suggest that a weak nonlinear air-sea interaction may play a role in the weak ENSO asymmetry. Moreover, a weak nonlinearity in air-sea interaction in the models may be associated with the biases in the mean climate—the cold biases in the equatorial central Pacific. The excessive cold tongue bias pushes the deep convection far west to the western Pacific warm pool region and suppresses its development in the central equatorial Pacific. The deep convection has difficulties in further moving to the eastern equatorial Pacific, especially during extreme El Ni˜no events, which confines the westerly wind anomaly to the western Pacific. This weakens the eastern Pacific El Ni˜no events, especially the extreme El Ni˜no events, and thus leads to the weakened ENSO asymmetry in climate models. An accurate mean state structure (especially a realistic cold tongue and deep convection) is critical to reproducing ENSO events in climate models. Our evaluation also revealed that ENSO statistics in CMIP5 climate models are slightly improved compared with those of CMIP3. The weak ENSO asymmetry in CMIP5 is closer to the observation. It is more evident in CMIP5 that strong ENSO activities are usually accompanied by strong ENSO asymmetry, and the diversity of ENSO amplitude is reduced.
A Macroscopic Realization of the Weak Interaction
NASA Technical Reports Server (NTRS)
Nishimori, Arito
2003-01-01
A.J.Leggett suggested in 1977 that a permanent electric dipole moment due to the parity-nonconserving electron-nucleon interaction, even though it is extremely small, could be measured in the superfluid He-3 B because the moment should be proportional to the size of the sample in this system. If this moment is observed, it will be the first example of a macroscopic realization of the weak interaction. In our planned experiments, a high electric field of up to 6 kV/cm is applied between two parallel electrodes in the He-3 sample. We expect to observe the NMR frequency of the lowest-lying spin-wave mode trapped by the liquid crystal-like texture of the B phase rotation axis in our geometry. The interaction of the electric field and the macroscopic permanent electric dipole moment, which is oriented along the rotation axis, will cause a small change in the texture and hence a small increase in the frequency of the spin wave mode. Besides the basic ideas, we present the purpose and the design of our first cell that is under construction.
Cartan's Supersymmetry and Weak and Electromagnetic Interactions
NASA Astrophysics Data System (ADS)
Furui, Sadataka
2015-10-01
We apply the Cartan's supersymmetric model to the weak interaction of hadrons. The electromagnetic currents are transformed by G 12, G 123, G 13, G 132 and the factor is inserted between or when the photon is replaced by , and between or when the photon is replaced by Z. Electromagnetic currents in the Higgs boson H 0 decay into 2 and decay into and in which leptons are replaced by quarks are also studied. A possibility that the boson near the theshold GeV) is the Higgs boson partner h 0 is discussed. We adopt Dirac lepton neutrinos and Majorana quark neutrinos, and construct a model that satisfy the Z 3 symmetry of the lepton sector and the quark sector, by adding two right-handed neutrinos whose left-handed partner cannot be detected by our electro-magnetic detectors.
Electronic structure theory of weakly interacting bilayers
NASA Astrophysics Data System (ADS)
Fang, Shiang; Kaxiras, Efthimios
2016-06-01
We derive electronic structure models for weakly interacting bilayers such as graphene-graphene and graphene-hexagonal boron nitride, based on density functional theory calculations followed by Wannier transformation of electronic states. These transferable interlayer coupling models can be applied to investigate the physics of bilayers with arbitrary translations and twists. The functional form, in addition to the dependence on the distance, includes the angular dependence that results from higher angular momentum components in the Wannier pz orbitals. We demonstrate the capabilities of the method by applying it to a rotated graphene bilayer, which produces the analytically predicted renormalization of the Fermi velocity, Van Hove singularities in the density of states, and moiré pattern of the electronic localization at small twist angles. We further extend the theory to obtain the effective couplings by integrating out neighboring layers. This approach is instrumental for the design of van der Walls heterostructures with desirable electronic features and transport properties and for the derivation of low-energy theories for graphene stacks, including proximity effects from other layers.
Neutron Measurements and the Weak Nucleon-Nucleon Interaction
Snow, W. M.
2005-01-01
The weak interaction between nucleons remains one of the most poorly-understood sectors of the Standard Model. A quantitative description of this interaction is needed to understand weak interaction phenomena in atomic, nuclear, and hadronic systems. This paper summarizes briefly what is known about the weak nucleon-nucleon interaction, tries to place this phenomenon in the context of other studies of the weak and strong interactions, and outlines a set of measurements involving low energy neutrons which can lead to significant experimental progress. PMID:27308120
The Volume Field Model about Strong Interaction and Weak Interaction
NASA Astrophysics Data System (ADS)
Liu, Rongwu
2016-03-01
For a long time researchers have believed that strong interaction and weak interaction are realized by exchanging intermediate particles. This article proposes a new mechanism as follows: Volume field is a form of material existence in plane space, it takes volume-changing motion in the form of non-continuous motion, volume fields have strong interaction or weak interaction between them by overlapping their volume fields. Based on these concepts, this article further proposes a ``bag model'' of volume field for atomic nucleus, which includes three sub-models of the complex structure of fundamental body (such as quark), the atom-like structure of hadron, and the molecule-like structure of atomic nucleus. This article also proposes a plane space model and formulates a physics model of volume field in the plane space, as well as a model of space-time conversion. The model of space-time conversion suggests that: Point space-time and plane space-time convert each other by means of merging and rupture respectively, the essence of space-time conversion is the mutual transformations of matter and energy respectively; the process of collision of high energy hadrons, the formation of black hole, and the Big Bang of universe are three kinds of space-time conversions.
Weak interactions, omnivory and emergent food-web properties.
Emmerson, Mark; Yearsley, Jon M.
2004-01-01
Empirical studies have shown that, in real ecosystems, species-interaction strengths are generally skewed in their distribution towards weak interactions. Some theoretical work also suggests that weak interactions, especially in omnivorous links, are important for the local stability of a community at equilibrium. However, the majority of theoretical studies use uniform distributions of interaction strengths to generate artificial communities for study. We investigate the effects of the underlying interaction-strength distribution upon the return time, permanence and feasibility of simple Lotka-Volterra equilibrium communities. We show that a skew towards weak interactions promotes local and global stability only when omnivory is present. It is found that skewed interaction strengths are an emergent property of stable omnivorous communities, and that this skew towards weak interactions creates a dynamic constraint maintaining omnivory. Omnivory is more likely to occur when omnivorous interactions are skewed towards weak interactions. However, a skew towards weak interactions increases the return time to equilibrium, delays the recovery of ecosystems and hence decreases the stability of a community. When no skew is imposed, the set of stable omnivorous communities shows an emergent distribution of skewed interaction strengths. Our results apply to both local and global concepts of stability and are robust to the definition of a feasible community. These results are discussed in the light of empirical data and other theoretical studies, in conjunction with their broader implications for community assembly. PMID:15101699
Ratcliffe, H. Brady, C. S.; Che Rozenan, M. B.; Nakariakov, V. M.
2014-12-15
Quasilinear theory has long been used to treat the problem of a weak electron beam interacting with plasma and generating Langmuir waves. Its extension to weak-turbulence theory treats resonant interactions of these Langmuir waves with other plasma wave modes, in particular, ion-sound waves. These are strongly damped in plasma of equal ion and electron temperatures, as sometimes seen in, for example, the solar corona and wind. Weak turbulence theory is derived in the weak damping limit, with a term describing ion-sound wave damping then added. In this paper, we use the EPOCH particle-in-cell code to numerically test weak turbulence theory for a range of electron-ion temperature ratios. We find that in the cold ion limit, the results agree well, but for increasing ion temperature the three-wave resonance becomes broadened in proportion to the ion-sound wave damping rate. Additionally, we establish lower limits on the number of simulation particles needed to accurately reproduce the electron and wave distributions in their saturated states and to reproduce their intermediate states and time evolution. These results should be taken into consideration in, for example, simulations of plasma wave generation in the solar corona of Type III solar radio bursts from the corona to the solar wind and in weak turbulence investigations of ion-acoustic lines in the ionosphere.
An accurate and practical method for inference of weak gravitational lensing from galaxy images
NASA Astrophysics Data System (ADS)
Bernstein, Gary M.; Armstrong, Robert; Krawiec, Christina; March, Marisa C.
2016-07-01
We demonstrate highly accurate recovery of weak gravitational lensing shear using an implementation of the Bayesian Fourier Domain (BFD) method proposed by Bernstein & Armstrong, extended to correct for selection biases. The BFD formalism is rigorously correct for Nyquist-sampled, background-limited, uncrowded images of background galaxies. BFD does not assign shapes to galaxies, instead compressing the pixel data D into a vector of moments M, such that we have an analytic expression for the probability P(M|g) of obtaining the observations with gravitational lensing distortion g along the line of sight. We implement an algorithm for conducting BFD's integrations over the population of unlensed source galaxies which measures ≈10 galaxies s-1 core-1 with good scaling properties. Initial tests of this code on ≈109 simulated lensed galaxy images recover the simulated shear to a fractional accuracy of m = (2.1 ± 0.4) × 10-3, substantially more accurate than has been demonstrated previously for any generally applicable method. Deep sky exposures generate a sufficiently accurate approximation to the noiseless, unlensed galaxy population distribution assumed as input to BFD. Potential extensions of the method include simultaneous measurement of magnification and shear; multiple-exposure, multiband observations; and joint inference of photometric redshifts and lensing tomography.
An accurate and practical method for inference of weak gravitational lensing from galaxy images
NASA Astrophysics Data System (ADS)
Bernstein, Gary M.; Armstrong, Robert; Krawiec, Christina; March, Marisa C.
2016-04-01
We demonstrate highly accurate recovery of weak gravitational lensing shear using an implementation of the Bayesian Fourier Domain (BFD) method proposed by Bernstein & Armstrong (2014, BA14), extended to correct for selection biases. The BFD formalism is rigorously correct for Nyquist-sampled, background-limited, uncrowded image of background galaxies. BFD does not assign shapes to galaxies, instead compressing the pixel data D into a vector of moments M, such that we have an analytic expression for the probability P(M|g) of obtaining the observations with gravitational lensing distortion g along the line of sight. We implement an algorithm for conducting BFD's integrations over the population of unlensed source galaxies which measures ≈10 galaxies/second/core with good scaling properties. Initial tests of this code on ≈109 simulated lensed galaxy images recover the simulated shear to a fractional accuracy of m = (2.1 ± 0.4) × 10-3, substantially more accurate than has been demonstrated previously for any generally applicable method. Deep sky exposures generate a sufficiently accurate approximation to the noiseless, unlensed galaxy population distribution assumed as input to BFD. Potential extensions of the method include simultaneous measurement of magnification and shear; multiple-exposure, multi-band observations; and joint inference of photometric redshifts and lensing tomography.
Space-time structure of weak and electromagnetic interactions
Hestenes, D.
1982-02-01
The generator of electromagnetic gauge transformations in the Dirac equation has a unique geometric interpretation and a unique extension to the generators of the gauge group SU(2) x U(1) for the Weinberg--Salam theory of weak and electromagnetic interactions. It follows that internal symmetries of the weak interactions can be interpreted as space-time symmetries of spinor fields in the Dirac algebra. The possibilities for interpreting strong interaction symmetries in a similar way are highly restricted.
Weak-wave analysis of shock interaction with a slipstream
NASA Technical Reports Server (NTRS)
Barger, Raymond L.
1988-01-01
A weak wave analysis of shock interaction with a slipstream is presented. The theory is compared to that for the acoustic case and to the exact nonlinear analysis. Sample calculations indicate that the weak wave theory yields a good approximation to the exact solution when the shock waves are sufficiently weak that the associated entropy increase is negligible. A qualitative discussion of the case of counterflowing streams is also included.
Cosmological constraints on the properties of weakly interacting massive particles
Steigman, G.; Turner, M.S.
1984-10-01
Considerations of the age and density of, as well as the evolution of structure in, the Universe lead to constraints on the masses and lifetimes of weakly interacting massive particles (WIMPs). 26 references.
Transthyretin amyloidosis: a tale of weak interactions.
Saraiva, M J
2001-06-01
Over 70 transthyretin (TTR) mutations have been associated with hereditary amyloidoses, which are all autosomal dominant disorders with adult age of onset. TTR is the main constituent of amyloid that deposits preferentially in peripheral nerve giving rise to familial amyloid polyneuropathy (FAP), or in the heart leading to familial amyloid cardiomyopathy. Since the beginning of this decade the central question of these types of amyloidoses has been why TTR is an amyloidogenic protein with clinically heterogeneous pathogenic consequences. As a result of amino acid substitutions, conformational changes occur in the molecule, leading to weaker subunit interactions of the tetrameric structure as revealed by X-ray studies of some amyloidogenic mutants. Modified soluble tetramers exposing cryptic epitopes seem to circulate in FAP patients as evidenced by antibody probes recognizing specifically TTR amyloid fibrils, but what triggers dissociation into monomeric and oligomeric intermediates of amyloid fibrils is largely unknown. Avoiding tetramer dissociation and disrupting amyloid fibrils are possible avenues of therapeutic intervention based on current molecular knowledge of TTR amyloidogenesis and fibril structure. PMID:11412857
Highly effective and accurate weak point monitoring method for advanced design rule (1x nm) devices
NASA Astrophysics Data System (ADS)
Ahn, Jeongho; Seong, ShiJin; Yoon, Minjung; Park, Il-Suk; Kim, HyungSeop; Ihm, Dongchul; Chin, Soobok; Sivaraman, Gangadharan; Li, Mingwei; Babulnath, Raghav; Lee, Chang Ho; Kurada, Satya; Brown, Christine; Galani, Rajiv; Kim, JaeHyun
2014-04-01
Historically when we used to manufacture semiconductor devices for 45 nm or above design rules, IC manufacturing yield was mainly determined by global random variations and therefore the chip manufacturers / manufacturing team were mainly responsible for yield improvement. With the introduction of sub-45 nm semiconductor technologies, yield started to be dominated by systematic variations, primarily centered on resolution problems, copper/low-k interconnects and CMP. These local systematic variations, which have become decisively greater than global random variations, are design-dependent [1, 2] and therefore designers now share the responsibility of increasing yield with manufacturers / manufacturing teams. A widening manufacturing gap has led to a dramatic increase in design rules that are either too restrictive or do not guarantee a litho/etch hotspot-free design. The semiconductor industry is currently limited to 193 nm scanners and no relief is expected from the equipment side to prevent / eliminate these systematic hotspots. Hence we have seen a lot of design houses coming up with innovative design products to check hotspots based on model based lithography checks to validate design manufacturability, which will also account for complex two-dimensional effects that stem from aggressive scaling of 193 nm lithography. Most of these hotspots (a.k.a., weak points) are especially seen on Back End of the Line (BEOL) process levels like Mx ADI, Mx Etch and Mx CMP. Inspecting some of these BEOL levels can be extremely challenging as there are lots of wafer noises or nuisances that can hinder an inspector's ability to detect and monitor the defects or weak points of interest. In this work we have attempted to accurately inspect the weak points using a novel broadband plasma optical inspection approach that enhances defect signal from patterns of interest (POI) and precisely suppresses surrounding wafer noises. This new approach is a paradigm shift in wafer inspection
Lack of strength; Muscle weakness ... feel weak but have no real loss of strength. This is called subjective weakness. It may be ... flu. Or, you may have a loss of strength that can be noted on a physical exam. ...
Challenges and dreams: physics of weak interactions essential to life.
Chien, Peter; Gierasch, Lila M
2014-11-01
Biological systems display stunning capacities to self-organize. Moreover, their subcellular architectures are dynamic and responsive to changing needs and conditions. Key to these properties are manifold weak "quinary" interactions that have evolved to create specific spatial networks of macromolecules. These specific arrangements of molecules enable signals to be propagated over distances much greater than molecular dimensions, create phase separations that define functional regions in cells, and amplify cellular responses to changes in their environments. A major challenge is to develop biochemical tools and physical models to describe the panoply of weak interactions operating in cells. We also need better approaches to measure the biases in the spatial distributions of cellular macromolecules that result from the integrated action of multiple weak interactions. Partnerships between cell biologists, biochemists, and physicists are required to deploy these methods. Together these approaches will help us realize the dream of understanding the biological "glue" that sustains life at a molecular and cellular level. PMID:25368424
Search for a Scalar Component in the Weak Interaction
NASA Astrophysics Data System (ADS)
Zakoucky, Dalibor; Baczyk, Pavel; Ban, Gilles; Beck, Marcus; Breitenfeldt, Martin; Couratin, Claire; Fabian, Xavier; Finlay, Paul; Flechard, Xavier; Friedag, Peter; Glück, Ferenc; Herlert, Alexander; Knecht, Andreas; Kozlov, Valentin; Lienard, Etienne; Porobic, Tomica; Soti, Gergelj; Tandecki, Michael; Vangorp, Simon; Weinheimer, Christian; Wursten, Elise; Severijns, Nathal
Weak interactions are described by the Standard Model which uses the basic assumption of a pure "V(ector)-A(xial vector)" character for the interaction. However, after more than half a century of model development and experimental testing of its fundamental ingredients, experimental limits for possible admixtures of scalar and/or tensor interactions are still as high as 7%. The WITCH project (Weak Interaction Trap for CHarged particles) at the isotope separator ISOLDE at CERN is trying to probe the structure of the weak interaction in specific low energy β-decays in order to look for possible scalar or tensor components or at least significantly improve the current experimental limits. This worldwide unique experimental setup consisting of a combination of two Penning ion traps and a retardation spectrometer allows to catch, trap and cool the radioactive nuclei provided by the ISOLDE separator, form a cooled and scattering-free radioactive source of β-decaying nuclei and let these nuclei decay at rest. The precise measurement of the shape of the energy spectrum of the recoiling nuclei, the shape of which is very sensitive to the character of the weak interaction, enables searching for a possible admixture of a scalar/tensor component in the dominant vector/axial vector mode. First online measurements with the isotope 35Ar were performed in 2011 and 2012. The current status of the experiment, the data analysis and results as well as extensive simulations will be presented and discussed.
Chemically accurate description of aromatic rings interaction using quantum Monte Carlo
NASA Astrophysics Data System (ADS)
Azadi, Sam
We present an accurate study of interactions between benzene molecules using wave function based quantum Monte Carlo (QMC) methods. We compare our QMC results with density functional theory (DFT) using various van der Waals (vdW) functionals. This comparison enables us to tune vdW functionals. We show that highly optimizing the wave function and introducing more dynamical correlation into the wave function are crucial to calculate the weak chemical binding energy between benzene molecules. The good agreement among our results, experiments and quantum chemistry methods, is an important sign of the capability of the wave function based QMC methods to provide accurate description of very weak intermolecular interactions based on vdW dispersive forces.
From weakly to strongly interacting 2D Fermi gases
NASA Astrophysics Data System (ADS)
Dyke, Paul; Fenech, Kristian; Lingham, Marcus; Peppler, Tyson; Hoinka, Sascha; Vale, Chris
2014-05-01
We study ultracold 2D Fermi gases of 6Li formed in a highly oblate trapping potential. The potential is generated by a cylindrically focused, blue detuned TEM01 mode laser beam. Weak magnetic field curvature provides highly harmonic confinement in the radial direction and we can readily produce single clouds with an aspect ratio of 230. Our experiments investigate the dimensional crossover from 3D to 2D for a two component Fermi gas in the Bose-Einstein Condensate to Bardeen Cooper Schrieffer crossover. Observation of an elbow in measurements of the cloud width vs. atom number is consistent with populating only the lowest transverse harmonic oscillator state for weak attractive interactions. This measurement is extended to the strongly interacting region using the broad Feshbach resonance at 832 G. We also report our progress towards measurement of the 2D equation of state for an interacting 2D Fermi gas via in-situ absorption imaging.
Collective transport of weakly interacting molecular motors with Langmuir kinetics
NASA Astrophysics Data System (ADS)
Chandel, Sameep; Chaudhuri, Abhishek; Muhuri, Sudipto
2015-04-01
Filament-based intracellular transport involves the collective action of molecular motor proteins. Experimental evidences suggest that microtubule (MT) filament bound motor proteins such as kinesins weakly interact among themselves during transport and with the surrounding cellular environment. Motivated by these observations we study a driven lattice gas model for collective unidirectional transport of molecular motors on open filament. This model incorporates short-range next-nearest-neighbour (NNN) interactions between the motors and couples the transport process on filament with surrounding cellular environment through adsorption-desorption Langmuir kinetics (LK) of the motors. We analyse this model within the framework of a mean-field (MF) theory in the limit of weak interactions between the motors. We point to the mapping of this model with the non-conserved version of the Katz-Lebowitz-Spohn (KLS) model. The system exhibits rich phase behavior with a variety of inhomogeneous phases including localized shocks in the bulk of the filament. We obtain the steady-state density and current profiles, analyse their variation as a function of the strength of interaction and construct the non-equilibrium MF phase diagram. We compare these MF results with Monte Carlo simulations and find that the MF analysis shows reasonably good agreement with simulation results as long as the motors are weakly interacting. For sufficently strong NNN interaction between the motors, the mean-field results deviate significantly, and for very strong NNN interaction in the absence of LK, the current in the lattice is determined solely by the NNN interaction parameter and it becomes independent of entry and exit rates of motors at the filament boundaries.
Resistive flow in a weakly interacting Bose-Einstein condensate.
Jendrzejewski, F; Eckel, S; Murray, N; Lanier, C; Edwards, M; Lobb, C J; Campbell, G K
2014-07-25
We report the direct observation of resistive flow through a weak link in a weakly interacting atomic Bose-Einstein condensate. Two weak links separate our ring-shaped superfluid atomtronic circuit into two distinct regions, a source and a drain. Motion of these weak links allows for creation of controlled flow between the source and the drain. At a critical value of the weak link velocity, we observe a transition from superfluid flow to superfluid plus resistive flow. Working in the hydrodynamic limit, we observe a conductivity that is 4 orders of magnitude larger than previously reported conductivities for a Bose-Einstein condensate with a tunnel junction. Good agreement with zero-temperature Gross-Pitaevskii simulations and a phenomenological model based on phase slips indicate that the creation of excitations plays an important role in the resulting conductivity. Our measurements of resistive flow elucidate the microscopic origin of the dissipation and pave the way for more complex atomtronic devices. PMID:25105631
ISOLTRAP Mass Measurements for Weak-Interaction Studies
Kellerbauer, A.; Delahaye, P.; Herlert, A.; Audi, G.; Guenaut, C.; Lunney, D.; Beck, D.; Herfurth, F.; Kluge, H.-J.; Mukherjee, M.; Rodriguez, D.; Weber, C.; Yazidjian, C.; Blaum, K.; Bollen, G.; Schwarz, S.; George, S.; Schweikhard, L.
2006-04-26
The conserved-vector-current (CVC) hypothesis of the weak interaction and the unitarity of the Cabibbo-Kobayashi-Maskawa (CKM) matrix are two fundamental postulates of the Standard Model. While existing data on CVC supports vector current conservation, the unitarity test of the CKM matrix currently fails by more than two standard deviations. High-precision mass measurements performed with the ISOLTRAP experiment at ISOLDE/CERN provide crucial input for these fundamental studies by greatly improving our knowledge of the decay energy of super-allowed {beta} decays. Recent results of mass measurements on the {beta} emitters 18Ne, 22Mg, 34Ar, and 74Rb as pertaining to weak-interaction studies are presented.
Weak-interaction processes in core-collapse supernovae
Langanke, K.
2015-02-24
Weak interaction processes play an important role for the dynamics of a core-collapse supernova. Due to progress of nuclear modeling and constrained by data it has been possible to improve the rates of these processes for supernova conditions decisively. This manuscript describes the recent advances and the current status in deriving electron capture rates on nuclei and of inelastic neutrino-nucleus scattering for applications in supernova simulations and briefly discusses their impact on such studies.
[Theoretical studies in weak, electromagnetic and strong interactions. Attachments
Nandi, S.
1999-09-01
The project covered a wide area of current research in theoretical high-energy physics. This included Standard Model (SM) as well as physics beyond the Standard Model. Specific topics included supersymmetry (SUSY), perturbative quantum chromodynamics (QCD), a new weak interaction for the third family (called topflavor), neutrino masses and mixings, topcolor model, Pade approximation, and its application to perturbative QCD and other physical processes.
Accurate nuclear radii and binding energies from a chiral interaction
Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold
2015-05-01
With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shellmore » nuclei are in reasonable agreement with experiment.« less
Accurate nuclear radii and binding energies from a chiral interaction
Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold
2015-05-01
With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLO_{sat}, yield accurate binding energies and radii of nuclei up to ^{40}Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective J^{π}=3^{-} states in ^{16}O and ^{40}Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.
Challenges and dreams: physics of weak interactions essential to life
Chien, Peter; Gierasch, Lila M.
2014-01-01
Biological systems display stunning capacities to self-organize. Moreover, their subcellular architectures are dynamic and responsive to changing needs and conditions. Key to these properties are manifold weak “quinary” interactions that have evolved to create specific spatial networks of macromolecules. These specific arrangements of molecules enable signals to be propagated over distances much greater than molecular dimensions, create phase separations that define functional regions in cells, and amplify cellular responses to changes in their environments. A major challenge is to develop biochemical tools and physical models to describe the panoply of weak interactions operating in cells. We also need better approaches to measure the biases in the spatial distributions of cellular macromolecules that result from the integrated action of multiple weak interactions. Partnerships between cell biologists, biochemists, and physicists are required to deploy these methods. Together these approaches will help us realize the dream of understanding the biological “glue” that sustains life at a molecular and cellular level. PMID:25368424
A general, accurate procedure for calculating molecular interaction force.
Yang, Pinghai; Qian, Xiaoping
2009-09-15
The determination of molecular interaction forces, e.g., van der Waals force, between macroscopic bodies is of fundamental importance for understanding sintering, adhesion and fracture processes. In this paper, we develop an accurate, general procedure for van der Waals force calculation. This approach extends a surface formulation that converts a six-dimensional (6D) volume integral into a 4D surface integral for the force calculation. It uses non-uniform rational B-spline (NURBS) surfaces to represent object surfaces. Surface integrals are then done on the parametric domain of the NURBS surfaces. It has combined advantages of NURBS surface representation and surface formulation, including (1) molecular interactions between arbitrary-shaped objects can be represented and evaluated by the NURBS model further common geometries such as spheres, cones, planes can be represented exactly and interaction forces are thus calculated accurately; (2) calculation efficiency is improved by converting the volume integral to the surface integral. This approach is implemented and validated via its comparison with analytical solutions for simple geometries. Calculation of van der Waals force between complex geometries with surface roughness is also demonstrated. A tutorial on the NURBS approach is given in Appendix A. PMID:19596335
Introduction to weak interaction theories with dynamical symmetry breaking
Lane, K.D.; Peskin, M.E.
1980-07-01
A straightforward introduction to theories of the weak interactions with dynamical symmetry breaking-theories of technicolor or hypercolor is presented. The intent is to inform experimentalists, but also to goad theorists. The motivation for considering theories of this type is described. The structure that such a theory must possess, including new gauge interactions at mass scales of 1-100 TeV is then outlined. Despite their reliance on phenomena at such enormous energies, these theories contain new phenomena observable at currently accessible energies. Three such effects which are especially likely to be observed are described.
Differentiation of optical isomers through enhanced weak-field interactions
NASA Technical Reports Server (NTRS)
Aronowitz, S.
1980-01-01
The influence of weak field interaction terms due to the cooperative effects which arise from a macroscopic assemblage of interacting sites is studied. Differential adsorption of optical isomers onto an achiral surface is predicted to occur if the surface was continuous and sufficiently large. However, the quantity of discontinuous crystal surfaces did not enhance the percentage of differentiation and thus the procedure of using large quantities of small particles was not a viable technique for obtaining a detectable differentiation of optical isomers on an achiral surface.
Interaction of Oblique Instability Waves with Weak Streamwise Vortices
NASA Technical Reports Server (NTRS)
Goldstein, M. E.; Wundrow, David W.
1994-01-01
This paper is concerned with the effect of a weak spanwise-variable mean-flow distortion on the growth of oblique instability waves in a Blasius boundary layer. The streamwise component of the distortion velocity initially grows linearly with increasing streamwise distance, reaches a maximum, and eventually decays through the action of viscosity. This decay occurs slowly and allows the distortion to destabilize the Blasius flow over a relatively large streamwise region. It is shown that even relatively weak distortions can cause certain oblique Rayleigh instability waves to grow much faster than the usual two-dimensional Tollmien-Schlichting waves that would be the dominant instability modes in the absence of the distortion. The oblique instability waves can then become large enough to interact nonlinearly within a common critical layer. It is shown that the resulting nonlinearity is weak and that the common amplitude of the interacting oblique waves is governed by the amplitude evolution equation derived in Goldstein & Choi (1989). The implications of these results for Klebanoff-type transition are discussed.
Limits Of Quantum Information In Weak Interaction Processes Of Hyperons
Hiesmayr, B. C.
2015-01-01
We analyze the achievable limits of the quantum information processing of the weak interaction revealed by hyperons with spin. We find that the weak decay process corresponds to an interferometric device with a fixed visibility and fixed phase difference for each hyperon. Nature chooses rather low visibilities expressing a preference to parity conserving or violating processes (except for the decay Σ+→ pπ0). The decay process can be considered as an open quantum channel that carries the information of the hyperon spin to the angular distribution of the momentum of the daughter particles. We find a simple geometrical information theoretic interpretation of this process: two quantization axes are chosen spontaneously with probabilities where α is proportional to the visibility times the real part of the phase shift. Differently stated, the weak interaction process corresponds to spin measurements with an imperfect Stern-Gerlach apparatus. Equipped with this information theoretic insight we show how entanglement can be measured in these systems and why Bell’s nonlocality (in contradiction to common misconception in literature) cannot be revealed in hyperon decays. Last but not least we study under which circumstances contextuality can be revealed. PMID:26144247
Weak nuclear interactions in neon-21 and neon-18
Von Lintig, Richard David
1981-01-01
The results of two experiments involving weak meson exchange among nucleons are reviewed. Measurements are described of the circular polarization of 2.789 MeV gamma rays associated with the 2.789/2.796 MeV parity mixed doublet in /sup 21/Ne. Also reported are measurements of the 0/sup +/ - 0/sup -/ beta decay from /sup 18/Ne to the 1.081 MeV 0/sup -/ state of /sup 18/F, itself part of a spin-zero doublet of considerable interest for parity mixing. The significance of the results to the theory of weak non-leptonic interactions is examined. An argument is repeated that more careful interpretation of the results in terms of the fundamental weak interaction is needed. The circular polarization of the 2.789 MeV radiation from /sup 21/Ne is (20 +- 26) x 10/sup -4/, a small result in view of the enhancement of this effect due to narrow doublet separation and the forbidden character of the transition. Simultaneous measurements of the circular polarization of 2.439 MeV radiation, which should not exhibit the parity violating effect even if the 1/2/sup -/ (2.789 MeV) state contains a significant parity impurity, indicate an absence of bias in the measurements. The relative probability of the 0/sup +/ - 0/sup -/ (1.081 MeV) decay from /sup 18/Ne is (2.26 +- .37) x 10/sup -4/. The two-body (or meson exchange) contribution to this transition is the isospin analog of parity mixing between the 1042-keV (J/sup ..pi../;T = 0/sup +/;1) and 1081-keV (J/sup ..pi../;T = 0/sup -/;0) states of /sup 18/F. The theoretical relation which has been shown to exist between these two weak interaction phenomena is recounted, so that the importance of the beta-decay measurement to non-leptonic weak interaction physics can be appreciated.
Francium Trapping Facility at TRIUMF for weak interaction studies
NASA Astrophysics Data System (ADS)
Zhang, J.; Orozco, L. A.; Collister, R.; Gwinner, G.; Tandecki, M.; Behr, J. A.; Pearson, M. R.; Gomez, E.; Aubin, S.; Frpnc Collaboration
2014-05-01
We present the current status of the Francium Trapping Facility at TRIUMF. After successfully commissioning the capture chamber we are now in the process of finishing the science chamber where weak interaction measurements on Fr will be performed. We require transfer of the cold atoms from the capture chamber to the science chamber where they can be re-trapped for precision spectroscopy. The modular design of the science chamber allows for microwave studies for the anapole moment measurement and optical studies for the weak charge measurements using atomic parity non-conservation. We will present our current status and the plans for the commissioning run of the science chamber. Work supported by NSERC and NRC from Canada, NSF and DOE from USA, CONACYT from Mexico.
NASA Technical Reports Server (NTRS)
Gupta, R. N.; Rodkiewicz, C. M.
1975-01-01
The numerical results are obtained for heat transfer, skin-friction, and viscous interaction induced pressure for a step-wise accelerated flat plate in hypersonic flow. In the unified approach here the results are presented for both weak and strong-interaction problems without employing any linearization scheme. With the help of the numerical method used in this work an accurate prediction of wall shear can be made for the problems with plate velocity changes of 1% or larger. The obtained results indicate that the transient contribution to the induced pressure for helium is greater than that for air.
Interactive Isogeometric Volume Visualization with Pixel-Accurate Geometry.
Fuchs, Franz G; Hjelmervik, Jon M
2016-02-01
A recent development, called isogeometric analysis, provides a unified approach for design, analysis and optimization of functional products in industry. Traditional volume rendering methods for inspecting the results from the numerical simulations cannot be applied directly to isogeometric models. We present a novel approach for interactive visualization of isogeometric analysis results, ensuring correct, i.e., pixel-accurate geometry of the volume including its bounding surfaces. The entire OpenGL pipeline is used in a multi-stage algorithm leveraging techniques from surface rendering, order-independent transparency, as well as theory and numerical methods for ordinary differential equations. We showcase the efficiency of our approach on different models relevant to industry, ranging from quality inspection of the parametrization of the geometry, to stress analysis in linear elasticity, to visualization of computational fluid dynamics results. PMID:26731454
Atom interferometry with a weakly interacting Bose-Einstein condensate.
Fattori, M; D'Errico, C; Roati, G; Zaccanti, M; Jona-Lasinio, M; Modugno, M; Inguscio, M; Modugno, G
2008-02-29
We demonstrate the operation of an atom interferometer based on a weakly interacting Bose-Einstein condensate. We strongly reduce the interaction induced decoherence that usually limits interferometers based on trapped condensates by tuning the s-wave scattering length almost to zero via a magnetic Feshbach resonance. We employ a 39K condensate trapped in an optical lattice, where Bloch oscillations are forced by gravity. The fine-tuning of the scattering length down to 0.1 a_(0) and the micrometric sizes of the atomic sample make our system a very promising candidate for measuring forces with high spatial resolution. Our technique can be in principle extended to other measurement schemes opening new possibilities in the field of trapped atom interferometry. PMID:18352607
Atom Interferometry with a Weakly Interacting Bose-Einstein Condensate
Fattori, M.; D'Errico, C.; Roati, G.; Inguscio, M.; Modugno, G.; Zaccanti, M.; Jona-Lasinio, M.; Modugno, M.
2008-02-29
We demonstrate the operation of an atom interferometer based on a weakly interacting Bose-Einstein condensate. We strongly reduce the interaction induced decoherence that usually limits interferometers based on trapped condensates by tuning the s-wave scattering length almost to zero via a magnetic Feshbach resonance. We employ a {sup 39}K condensate trapped in an optical lattice, where Bloch oscillations are forced by gravity. The fine-tuning of the scattering length down to 0.1 a{sub 0} and the micrometric sizes of the atomic sample make our system a very promising candidate for measuring forces with high spatial resolution. Our technique can be in principle extended to other measurement schemes opening new possibilities in the field of trapped atom interferometry.
Localization of weakly interacting Bose gas in quasiperiodic potential
NASA Astrophysics Data System (ADS)
Ray, Sayak; Pandey, Mohit; Ghosh, Anandamohan; Sinha, Subhasis
2016-01-01
We study the localization properties of weakly interacting Bose gas in a quasiperiodic potential. The Hamiltonian of the non-interacting system reduces to the well known ‘Aubry-André model’, which shows the localization transition at a critical strength of the potential. In the presence of repulsive interaction we observe multi-site localization and obtain a phase diagram of the dilute Bose gas by computing the superfluid fraction and the inverse participation ratio. We construct a low-dimensional classical Hamiltonian map and show that the onset of localization is manifested by the chaotic phase space dynamics. The level spacing statistics also identify the transition to localized states resembling a Poisson distribution that are ubiquitous for both non-interacting and interacting systems. We also study the quantum fluctuations within the Bogoliubov approximation and compute the quasiparticle energy spectrum. Enhanced quantum fluctuation and multi-site localization phenomenon of non-condensate density are observed above the critical coupling of the potential. We briefly discuss the effect of the trapping potential on the localization of matter wave.
Calculating the Annihilation Rate of Weakly Interacting Massive Particles
NASA Astrophysics Data System (ADS)
Baumgart, Matthew; Rothstein, Ira Z.; Vaidya, Varun
2015-05-01
We develop a formalism that allows one to systematically calculate the weakly interacting massive particle (WIMP) annihilation rate into gamma rays whose energy far exceeds the weak scale. A factorization theorem is presented which separates the radiative corrections stemming from initial-state potential interactions from loops involving the final state. This separation allows us to go beyond the fixed order calculation, which is polluted by large infrared logarithms. For the case of Majorana WIMPs transforming in the adjoint representation of SU(2), we present the result for the resummed rate at leading double-log accuracy in terms of two initial-state partial-wave matrix elements and one hard matching coefficient. For a given model, one may calculate the cross section by finding the tree level matching coefficient and determining the value of a local four-fermion operator. The effects of resummation can be as large as 100% for a 20 TeV WIMP. However, for lighter WIMP masses relevant for the thermal relic scenario, leading-log resummation modifies the Sudakov factors only at the 10% level. Furthermore, given comparably sized Sommerfeld factors, the total effect of radiative corrections on the semi-inclusive photon annihilation rate is found to be percent level. The generalization of the formalism to other types of WIMPs is discussed.
Calculating the annihilation rate of weakly interacting massive particles.
Baumgart, Matthew; Rothstein, Ira Z; Vaidya, Varun
2015-05-29
We develop a formalism that allows one to systematically calculate the weakly interacting massive particle (WIMP) annihilation rate into gamma rays whose energy far exceeds the weak scale. A factorization theorem is presented which separates the radiative corrections stemming from initial-state potential interactions from loops involving the final state. This separation allows us to go beyond the fixed order calculation, which is polluted by large infrared logarithms. For the case of Majorana WIMPs transforming in the adjoint representation of SU(2), we present the result for the resummed rate at leading double-log accuracy in terms of two initial-state partial-wave matrix elements and one hard matching coefficient. For a given model, one may calculate the cross section by finding the tree level matching coefficient and determining the value of a local four-fermion operator. The effects of resummation can be as large as 100% for a 20 TeV WIMP. However, for lighter WIMP masses relevant for the thermal relic scenario, leading-log resummation modifies the Sudakov factors only at the 10% level. Furthermore, given comparably sized Sommerfeld factors, the total effect of radiative corrections on the semi-inclusive photon annihilation rate is found to be percent level. The generalization of the formalism to other types of WIMPs is discussed. PMID:26066424
Structural consequences of weak interactions in dispirooxindole derivatives.
Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
2015-11-01
Spiro scaffolds are being increasingly utilized in drug discovery due to their inherent three-dimensionality and structural variations, resulting in new synthetic routes to introduce spiro building blocks into more pharmaceutically active molecules. Multicomponent cascade reactions, involving the in situ generation of carbonyl ylides from α-diazocarbonyl compounds and aldehydes, and 1,3-dipolar cycloadditon with 3-arylideneoxindoles gave a novel class of dispirooxindole derivatives, namely 1,1''-dibenzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione, C44H33ClN2O3, (I), 1''-acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione, C39H29ClN2O4, (II), 1''-acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione, C39H30N2O4, (III), and 1''-acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione acetonitrile hemisolvate, C39H30N2O4·0.5C2H3N, (IV). All four compounds exist as racemic mixtures of the SSSR and RRRS stereoisomers. In these structures, the two H atoms of the dihydrofuran ring and the two substituted oxindole rings are in a trans orientation, facilitating intramolecular C-H···O and π-π interactions. These weak interactions play a prominent role in the structural stability and aid the highly regio- and diastereoselective synthesis. In each of the four structures, the molecular assembly in the crystal is also governed by weak noncovalent interactions. Compound (IV) is the solvated analogue of (III) and the two compounds show similar structural features. PMID:26524175
Stroboscopic prethermalization in weakly interacting periodically driven systems
NASA Astrophysics Data System (ADS)
Canovi, Elena; Kollar, Marcus; Eckstein, Martin
2016-01-01
Time-periodic driving provides a promising route toward engineering nontrivial states in quantum many-body systems. However, while it has been shown that the dynamics of integrable, noninteracting systems can synchronize with the driving into a nontrivial periodic motion, generic nonintegrable systems are expected to heat up until they display a trivial infinite-temperature behavior. In this paper we show that a quasiperiodic time evolution over many periods can also emerge in weakly interacting systems, with a clear separation of the timescales for synchronization and the eventual approach of the infinite-temperature state. This behavior is the analog of prethermalization in quenched systems. The synchronized state can be described using a macroscopic number of approximate constants of motion. We corroborate these findings with numerical simulations for the driven Hubbard model.
Dixon, Andrew S; Schwinn, Marie K; Hall, Mary P; Zimmerman, Kris; Otto, Paul; Lubben, Thomas H; Butler, Braeden L; Binkowski, Brock F; Machleidt, Thomas; Kirkland, Thomas A; Wood, Monika G; Eggers, Christopher T; Encell, Lance P; Wood, Keith V
2016-02-19
Protein-fragment complementation assays (PCAs) are widely used for investigating protein interactions. However, the fragments used are structurally compromised and have not been optimized nor thoroughly characterized for accurately assessing these interactions. We took advantage of the small size and bright luminescence of NanoLuc to engineer a new complementation reporter (NanoBiT). By design, the NanoBiT subunits (i.e., 1.3 kDa peptide, 18 kDa polypeptide) weakly associate so that their assembly into a luminescent complex is dictated by the interaction characteristics of the target proteins onto which they are appended. To ascertain their general suitability for measuring interaction affinities and kinetics, we determined that their intrinsic affinity (KD = 190 μM) and association constants (kon = 500 M(-1) s(-1), koff = 0.2 s(-1)) are outside of the ranges typical for protein interactions. The accuracy of NanoBiT was verified under defined biochemical conditions using the previously characterized interaction between SME-1 β-lactamase and a set of inhibitor binding proteins. In cells, NanoBiT fusions to FRB/FKBP produced luminescence consistent with the linear characteristics of NanoLuc. Response dynamics, evaluated using both protein kinase A and β-arrestin-2, were rapid, reversible, and robust to temperature (21-37 °C). Finally, NanoBiT provided a means to measure pharmacology of kinase inhibitors known to induce the interaction between BRAF and CRAF. Our results demonstrate that the intrinsic properties of NanoBiT allow accurate representation of protein interactions and that the reporter responds reliably and dynamically in cells. PMID:26569370
NASA Technical Reports Server (NTRS)
Mcgrath, W. R.; Richards, P. L.; Face, D. W.; Prober, D. E.; Lloyd, F. L.
1988-01-01
A systematic study of the gain and noise in superconductor-insulator-superconductor mixers employing Ta based, Nb based, and Pb-alloy based tunnel junctions was made. These junctions displayed both weak and strong quantum effects at a signal frequency of 33 GHz. The effects of energy gap sharpness and subgap current were investigated and are quantitatively related to mixer performance. Detailed comparisons are made of the mixing results with the predictions of a three-port model approximation to the Tucker theory. Mixer performance was measured with a novel test apparatus which is accurate enough to allow for the first quantitative tests of theoretical noise predictions. It is found that the three-port model of the Tucker theory underestimates the mixer noise temperature by a factor of about 2 for all of the mixers. In addition, predicted values of available mixer gain are in reasonable agreement with experiment when quantum effects are weak. However, as quantum effects become strong, the predicted available gain diverges to infinity, which is in sharp contrast to the experimental results. Predictions of coupled gain do not always show such divergences.
Weak Interactions of Hot Nuclei in Stellar Collapse
NASA Astrophysics Data System (ADS)
Misch, Gordon Wendell
The physics of the atomic nucleus and supernovas are fundamental to our very being. Indeed, supernovas provide the wind that disperses the nuclei of which we are composed, and the physics of nuclei is pivotal in supernova dynamics. During supernova core collapse, the extremely high temperatures and densities and low entropy favor large, neutron-rich nuclei at high excitation energy. My collaborators and I examine two weak interactions that occur in nuclei under these conditions. First, we study the production of neutrino pairs via de-excitation of hot nuclei. In de-exciting, the nucleus can emit a virtual Z0 boson that decays into a neutrino-antineutrino pair. We find this to be the dominant source of neutrino pairs of all flavors during collapse. Second, we use modern shell model computation techniques to revise the Brink-Axel hypothesis method of computing electron capture rates that was pioneered by Fuller, Fowler, and Newman. Our results show that the Brink-Axel hypothesis (which posits that the bulk of nuclear transition strength is distributed among transition energies independently of initial excitation energy) fails at low and moderate excitation, but that at high initial energies, the strength is largely independent of excitation. The failure of the Brink-Axel hypothesis manifests as the redistribution of strength to low and negative transition energies, which can have the effect of increasing the overall electron capture rate in the core.
New Paradigm for Plasma Crystal Formation with weak grain interaction
NASA Astrophysics Data System (ADS)
Tsytovich, V. N.; Morfill, G. E.
2005-10-01
New results for non-linear grain screening, non-linear ion drag and non-linear collective attractions appropriate for existing experiments are used for the first time together to explain the observed phenomena of plasma condensation. Based on the physics of collective non-linear grain attraction a paradigm for plasma crystal formation is formulated according to which plasma the crystal formation is due to localization of grains in weak non-linear collective attraction wells. Nonlinearity in screening is an important feature of new paradigm and takes into account that the grain charges are large. The physical consequence of large non-linearity is the presence of relative large attraction potential well at distances several times larger then the non-linear screening radius. Calculated location of the potential well is of the order of the observed inter-grain distances in plasma crystals and the calculated deepness of the potential well determining the temperature of phase transition is close to that observed. The calculations of the deepness of the attraction collective well and the critical value of the coupling constant are performed using an assumption that the collective attraction length is larger than the non-linear screening length. The concept of collective grain interaction in complex plasmas is considered for the case where the non-linear screening is fully determining the collective attraction well.
Strange-particle production via the weak interaction
Adera, G. B.; Van Der Ventel, B. I. S.; Niekerk, D. D. van; Mart, T.
2010-08-15
The differential cross sections for the neutrino-induced weak charged current production of strange particles in the threshold energy region are presented. The general representation of the weak hadronic current is newly developed in terms of eighteen unknown invariant amplitudes to parametrize the hadron vertex. The Born-term approximation is used for the numerical calculations in the framework of the Cabibbo theory and SU(3) symmetry. For unpolarized octet baryons four processes are investigated, whereas in the case of polarized baryons only one process is chosen to study the sensitivity of the differential cross section to the various polarizations of the initial-state nucleon and the final-state hyperon.
Towards accurate porosity descriptors based on guest-host interactions.
Paik, Dooam; Haranczyk, Maciej; Kim, Jihan
2016-05-01
For nanoporous materials at the characterization level, geometry-based approaches have become the methods of choice to provide information, often encoded in numerical descriptors, about the pores and the channels of a porous material. Examples of most common descriptors of the latter are pore limiting diameters, accessible surface area and accessible volume. The geometry-based methods exploit hard-sphere approximation for atoms, which (1) reduces costly computations of the interatomic interactions between the probe guest molecule and the porous material framework atoms, (2) effectively exploit applied mathematics methods such as Voronoi decomposition to represent and characterize porosity. In this work, we revisit and quantify the shortcoming of the geometry-based approaches. To do so, we have developed a series of algorithms to calculate pore descriptors such as void fraction, accessible surface area, pore limiting diameters (largest included sphere, and largest free sphere) based on a classical force field model of interactions between the guest and the framework atoms. Our resulting energy-based methods are tested on diverse sets of metal-organic frameworks and zeolite structures and comparisons against results obtained from geometric-based method indicate deviations in the cases for structures with small pore sizes. The method provides both high accuracy and performance making it suitable when screening a large database of materials. PMID:27054971
Weak interaction rate Coulomb corrections in big bang nucleosynthesis
Smith, Christel J.; Fuller, George M.
2010-03-15
We have applied a fully relativistic Coulomb wave correction to the weak reactions in the full Kawano/Wagoner big bang nucleosynthesis (BBN) code. We have also added the zero-temperature radiative correction. We find that using this higher accuracy Coulomb correction results in good agreement with previous work, giving only a modest {approx}0.04% increase in helium mass fraction over correction prescriptions applied previously in BBN calculations. We have calculated the effect of these corrections on other light element abundance yields in BBN, and we have studied these yields as functions of electron neutrino lepton number. This has allowed insights into the role of the weak neutron-proton interconversion processes in the setting of the neutron-to-proton ratio during the BBN epoch. We find that the lepton capture processes' contributions to this ratio are only second order in the Coulomb correction.
Left-right symmetry in weak interactions: present status
Senjanovic, G.
1983-01-01
The basic features of the left-right symmetric electroweak theory are reviewed. The experimental situation regarding the scale M/sub R/ of the breakdown of parity is summarized. I further discuss in detail the connection with weak and strong CP violation and especially, grand unification. Also covered are the issues of cosmological domain walls and the compositeness of quarks and leptons. 57 references.
Social Interactions and Well-Being: The Surprising Power of Weak Ties.
Sandstrom, Gillian M; Dunn, Elizabeth W
2014-04-25
Although we interact with a wide network of people on a daily basis, the social psychology literature has primarily focused on interactions with close friends and family. The present research tested whether subjective well-being is related not only to interactions with these strong ties but also to interactions with weak social ties (i.e., acquaintances). In Study 1, students experienced greater happiness and greater feelings of belonging on days when they interacted with more classmates than usual. Broadening the scope in Studies 2A and 2B to include all daily interactions (with both strong and weak ties), we again found that weak ties are related to social and emotional well-being. The current results highlight the power of weak ties, suggesting that even social interactions with the more peripheral members of our social networks contribute to our well-being. PMID:24769739
The FrPNC Experiment, weak interaction studies in Francium at TRIUMF
NASA Astrophysics Data System (ADS)
Gomez, E.; Aubin, S.; Collister, R.; Behr, J. A.; Gwinner, G.; Orozco, L. A.; Pearson, M. R.; Tandecki, M.; Sheng, D.; Zhang, J.
2012-09-01
Francium is an excellent system to study the nuclear weak force due to its large nucleus and relatively simple atomic structure. The FrPNC experiment has a facility to produce cold trapped atomic francium samples for parity non-conservation studies. We are preparing to measure both the nuclear spin independent and dependent parts of the weak interaction in francium. The first one gives information about weak neutral currents at low energies, while the second one is sensitive to weak interactions between nucleons. We present the current status of the experiment.
Weak interactions in the assembly of strongly chemisorbed molecules.
Goubert, Guillaume; Demers-Carpentier, Vincent; Masini, Federico; Dong, Yi; Lemay, J C; McBreen, P H
2011-08-28
The intermolecular structure of bimolecular complexes formed on Pt(111) at room temperature through CH···O interactions between 1-methylnaphthalene or 1-ethylnaphthalene and 2,2,2-trifluoroacetophenone is directed by the partial dehydrogenation of the alkyl groups. PMID:21735010
Weak and strong interactions between dark solitons and dispersive waves.
Oreshnikov, I; Driben, R; Yulin, A V
2015-11-01
The effect of mutual interactions between dark solitons and dispersive waves is investigated numerically and analytically. The condition of the resonant scattering of dispersive waves on dark solitons is derived and compared against the results of the numerical simulations. It is shown that the interaction with intense dispersive waves affects the dynamics of the solitons by accelerating, decelerating, or destroying them. It is also demonstrated that two dark solitons can form a cavity for dispersive waves bouncing between the two dark solitons. The differences of the resonant scattering of the dispersive waves on dark and bright solitons are discussed. In particular, we demonstrate that two dark solitons and a dispersive wave bouncing in between them create a solitonic cavity with convex "mirrors," unlike the concave "mirror" in the case of bright solitons. PMID:26512471
Nuclear weak interactions, supernova nucleosynthesis and neutrino oscillation
NASA Astrophysics Data System (ADS)
Kajino, Toshitaka
2013-07-01
We study the nuclear weak response in light-to-heavy mass nuclei and calculate neutrino-nucleus cross sections. We apply these cross sections to the explosive nucleosynthesis in core-collapse supernovae and find that several isotopes of rare elements 7Li, 11B, 138La, 180Ta and several others are predominantly produced by the neutrino-process nucleosynthesis. We discuss how to determine the suitable neutrino spectra of three different flavors and their anti-particles in order to explain the observed solar system abundances of these isotopes, combined with Galactic chemical evolution of the light nuclei and the heavy r-process elements. Light-mass nuclei like 7Li and 11B, which are produced in outer He-layer, are strongly affected by the neutrino flavor oscillation due to the MSW (Mikheyev-Smirnov-Wolfenstein) effect, while heavy-mass nuclei like 138La, 180Ta and r-process elements, which are produced in the inner O-Ne-Mg layer or the atmosphere of proto-neutron star, are likely to be free from the MSW effect. Using such a different nature of the neutrino-process nucleosynthesis, we study the neutrino oscillation effects on their abundances, and propose a new novel method to determine the unknown neutrino oscillation parameters, θ13 and mass hierarchy, simultaneously. There is recent evidence that some SiC X grains from the Murchison meteorite may contain supernova-produced neutrino-process 11B and 7Li encapsulated in the grains. Combining the recent experimental constraints on θ13, we show that although the uncertainties are still large, our method hints at a marginal preference for an inverted neutrino mass hierarchy for the first time.
Inspecting the Higgs for new weakly interacting particles
NASA Astrophysics Data System (ADS)
Cheung, Clifford; McDermott, Samuel D.; Zurek, Kathryn M.
2013-04-01
We explore new physics scenarios which are optimally probed through precision Higgs measurements rather than direct collider searches. Such theories consist of additional electroweak charged or singlet states which couple directly to or mix with the Higgs boson; particles of this kind may be weakly constrained by direct limits due to their meager production rates and soft decay products. We present a simplified framework which characterizes the effects of these states on Higgs physics by way of tree level mixing (with neutral scalars) and loop level modifications (from electrically charged states), all expressed in terms of three mixing angles and three loop parameters, respectively. The theory parameters are constrained and in some cases even fixed by ratios of Higgs production and decay rates. Our setup is simpler than a general effective operator analysis, in that we discard parameters irrelevant to Higgs observables while retaining complex correlations among measurements that arise due to the underlying mixing and radiative effects. We show that certain correlated observations are forbidden, e.g. a depleted ratio of Higgs production from gluon fusion versus vector boson fusion together with a depleted ratio of Higgs decays to boverline{b} versus WW. Moreover, we study the strong correlation between the Higgs decay rate to γγ and WW and how it can be violated in the presence of additional electrically charged particles. Our formalism maps straightforwardly onto a variety of new physics models, such as the NMSSM. We show, for example, that with a Higgsino of mass {m_{{χ_1^{± }}}}gtrsim 100 GeV and a singlet-Higgs coupling of λ = 0.7, the photon signal strength can deviate from the vector signal strength by up to ˜ 40 - 60% while depleting the vector signal strength by only 5 - 15% relative to the Standard Model.
Theory and phenomenology of strong and weak interaction high energy physics
Carruthers, P.; Thews, R.L.
1990-08-29
This paper deals with research being conducted at the University of Arizona in the theory of strong and weak interactions. Topics in Quantum chromodynamics, quantum electrodynamics, symmetry principle, hadronic structure of the photon and other are discussed. (LSP)
Evidence of Hybrid Excitons in Weakly Interacting Nanopeapods
2013-01-01
Nanopeapods, consisting of optically active π-conjugated molecules encapsulated inside of the cavity of carbon nanotubes, exhibit efficient photon emission in the visible spectral range. Combining optical experiments with ab initio theory, we show that the puzzling features observed in photoluminescence spectra are of excitonic nature. The subunits though being van der Waals bound are demonstrated to interact in the excited state, giving rise to the formation of hybrid excitons. We rationalize why this many-body effect makes such nanohybrids useful for optoelectronic devices. PMID:23991266
Weak Interaction Measurements with Optically Trapped Radioactive Atoms
Vieira, D.J.; Crane, S.G.; Guckert, R.; Zhao, X.; Brice, S.J.; Goldschmidt, A.; Hime, A.; Tupa, D.
1999-07-16
This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this project is to apply the latest in magneto-optical and pure magnetic trapping technology to concentrate, cool, confine, and polarize radioactive atoms for precise electroweak interaction measurements. In particular, the authors have concentrated their efforts on the trapping of {sup 82}Rb for a parity-violating, beta-asymmetry measurement. Progress has been made in successfully trapping of up to 6 million {sup 82}Rb(t{sub 1/2}=75s) atoms in a magneto-optical trap coupled to a mass separator. This represents a two order of magnitude improvement in the number trapped radioactive atoms over all previous work. They have also measured the atomic hyperfine structure of {sup 82}Rb and demonstrated the MOT-to-MOT transfer and accumulation of atoms in a second trap. Finally, they have constructed and tested a time-orbiting-potential magnetic trap that will serve as a rotating beacon of spin-polarized nuclei and a beta-telescope detection system. Prototype experiments are now underway with the initial goal of making a 1% measurements of the beta-asymmetry parameter A which would match the world's best measurements.
Calero-Rubio, Cesar; Saluja, Atul; Roberts, Christopher J
2016-07-14
So-called "weak" protein-protein interactions are important for the control of solution properties and stability at elevated protein concentrations (c2) but are not practical to capture in atomistic simulations. This report focuses on a series of coarse-grained models for predicting second osmotic virial coefficients (B22) and high-concentration Rayleigh scattering (osmotic compressibility) as a function of c2 for monoclonal antibodies (MAbs) that are of interest in biotechnology. B22 and molecular volume along with c2-dependent osmotic compressibility were calculated for a series of models with increasing structural detail. Models were refined to include contributions from sterics, short-ranged van der Waals and hydrophobic attractions, screened electrostatics, and the flexibility of the mAb hinge region. The results highlight shortcomings for spherical models of MAbs and a useful balance between numerical accuracy and computational burden offered by models based on 6 or 12 spherical, partly overlapping domains. The results provide bounds for realistic values of effective charges on variable domains in order for MAbs to be stable in solution and more generally illustrate semiquantitative bounds for the space of model parameters that can reproduce experimental behavior and provide a basis for future development of computationally efficient and accurate CG mAb models to predict both low- and high-c2 behavior. PMID:27314827
ERIC Educational Resources Information Center
Yeh, Yu-Fang
2016-01-01
Animation is one of the useful contemporary educational technologies in teaching complex subjects. There is a growing interest in proper use of learner-technology interaction to promote learning quality for different groups of learner needs. The purpose of this study is to investigate if an interaction approach supports weak learners, who have…
Kolmogorov spectra of weak turbulence in media with two types of interacting waves
NASA Astrophysics Data System (ADS)
Dias, F.; Guyenne, P.; Zakharov, V. E.
2001-12-01
A system of one-dimensional equations describing media with two types of interacting waves is considered. This system can be viewed as an alternative to the model introduced by Majda, McLaughlin and Tabak in 1997 for assessing the validity of weak turbulence theory. The predicted Kolmogorov solutions are the same in both models. The main difference between both models is that coherent structures such as wave collapses and quasisolitons cannot develop in the present model. As shown recently these coherents structures can influence the weakly turbulent regime. It is shown here that in the absence of coherent structures weak turbulence spectra can be clearly observed numerically.
Zhao, Xiaopeng Song, Kun
2014-10-15
Metamaterials are artificial media designed to control electromagnetic wave propagation. Due to resonance, most present-day metamaterials inevitably suffer from narrow bandwidth, extremely limiting their practical applications. On the basis of tailored properties, a metamaterial within which each distinct unit cell resonates at its inherent frequency and has almost no coupling effect with the other ones, termed as weak interaction system, can be formulated. The total response of a weak interaction system can be treated as an overlap of the single resonance spectrum of each type of different unit cells. This intriguing feature therefore makes it possible to accomplish multiband or broadband metamaterials in a simple way. By introducing defects into metamaterials to form a weak interaction system, multiband and broadband electromagnetic metamaterials have first been experimentally demonstrated by our group. The similar concept can also be readily extended to acoustic and seismic metamaterials.
Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host-Guest Systems.
Zhang, Dawei; Chatelet, Bastien; Serrano, Eloisa; Perraud, Olivier; Dutasta, Jean-Pierre; Robert, Vincent; Martinez, Alexandre
2015-10-01
The recognition properties of heteroditopic hemicryptophane hosts towards anions, cations, and neutral pairs, combining both cation-π and anion-π interaction sites, were investigated to probe the complexity of interfering weak intermolecular interactions. It is suggested from NMR experiments, and supported by CASSCF/CASPT2 calculations, that the binding constants of anions can be modulated by a factor of up to 100 by varying the fluorination sites on the electron-poor aromatic rings. Interestingly, this subtle chemical modification can also reverse the sign of cooperativity in ion-pair recognition. Wavefunction calculations highlight how short- and long-range interactions interfere in this recognition process, suggesting that a disruption of anion-π interactions can occur in the presence of a co-bound cation. Such molecules can be viewed as prototypes for examining complex processes controlled by the competition of weak interactions. PMID:26401973
Accurate prediction of protein–protein interactions from sequence alignments using a Bayesian method
Burger, Lukas; van Nimwegen, Erik
2008-01-01
Accurate and large-scale prediction of protein–protein interactions directly from amino-acid sequences is one of the great challenges in computational biology. Here we present a new Bayesian network method that predicts interaction partners using only multiple alignments of amino-acid sequences of interacting protein domains, without tunable parameters, and without the need for any training examples. We first apply the method to bacterial two-component systems and comprehensively reconstruct two-component signaling networks across all sequenced bacteria. Comparisons of our predictions with known interactions show that our method infers interaction partners genome-wide with high accuracy. To demonstrate the general applicability of our method we show that it also accurately predicts interaction partners in a recent dataset of polyketide synthases. Analysis of the predicted genome-wide two-component signaling networks shows that cognates (interacting kinase/regulator pairs, which lie adjacent on the genome) and orphans (which lie isolated) form two relatively independent components of the signaling network in each genome. In addition, while most genes are predicted to have only a small number of interaction partners, we find that 10% of orphans form a separate class of ‘hub' nodes that distribute and integrate signals to and from up to tens of different interaction partners. PMID:18277381
Probing the weak interaction of proteins with neutral and zwitterionic antifouling polymers.
Wu, Jiang; Zhao, Chao; Hu, Rundong; Lin, Weifeng; Wang, Qiuming; Zhao, Jun; Bilinovich, Stephanie M; Leeper, Thomas C; Li, Lingyan; Cheung, Harry M; Chen, Shengfu; Zheng, Jie
2014-02-01
Protein-polymer interactions are of great interest in a wide range of scientific and technological applications. Neutral poly(ethylene glycol) (PEG) and zwitterionic poly(sulfobetaine methacrylate) (pSBMA) are two well-known nonfouling materials that exhibit strong surface resistance to proteins. However, it still remains unclear or unexplored how PEG and pSBMA interact with proteins in solution. In this work, we examine the interactions between two model proteins (bovine serum albumin and lysozyme) and two typical antifouling polymers of PEG and pSBMA in aqueous solution using fluorescence spectroscopy, atomic force microscopy and nuclear magnetic resonance. The effect of protein:polymer mass ratios on the interactions is also examined. Collective data clearly demonstrate the existence of weak hydrophobic interactions between PEG and proteins, while there are no detectable interactions between pSBMA and proteins. The elimination of protein interaction with pSBMA could be due to an enhanced surface hydration of zwitterionic groups in pSBMA. New evidence is given to demonstrate the interactions between PEG and proteins, which are often neglected in the literature because the PEG-protein interactions are weak and reversible, as well as the structural change caused by hydrophobic interaction. This work provides a better fundamental understanding of the intrinsic structure-activity relationship of polymers underlying polymer-protein interactions, which are important for designing new biomaterials for biosensor, medical diagnostics and drug delivery applications. PMID:24120846
Strong orbital interaction in a weak CH-π hydrogen bonding system.
Li, Jianfu; Zhang, Rui-Qin
2016-01-01
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to interatomic orbital interaction, the intermolecular interaction of orbitals forms "bonding" and "antibonding" orbitals. In the interaction between occupied orbitals, the total energy of the complex increases because of the occupation of the antibonding orbital. The existence of the CH-π hydrogen bond between benzene and methane causes a decrease in rest energy level, leading to at least -1.51 kcal/mol intermolecular interaction energy. Our finding extends the concept of orbital interaction from the intramolecular to the intermolecular regime and gives a reliable explanation of the deep orbital reformation in the benzene-methane complex. PMID:26927609
Crossover between strong and weak measurement in interacting many-body systems
NASA Astrophysics Data System (ADS)
Esin, Iliya; Romito, Alessandro; Blanter, Ya M.; Gefen, Yuval
2016-01-01
Measurements with variable system-detector interaction strength, ranging from weak to strong, have been recently reported in a number of electronic nanosystems. In several such instances many-body effects play a significant role. Here we consider the weak-to-strong crossover for a setup consisting of an electronic Mach-Zehnder interferometer, where a second interferometer is employed as a detector. In the context of a conditional which-path protocol, we define a generalized conditional value (GCV), and determine its full crossover between the regimes of weak and strong (projective) measurement. We find that the GCV has an oscillatory dependence on the system-detector interaction strength. These oscillations are a genuine many-body effect, and can be experimentally observed through the voltage dependence of cross current correlations.
A weakly nonlinear theory for wave-vortex interactions in curved channel flow
NASA Technical Reports Server (NTRS)
Singer, Bart A.; Erlebacher, Gordon; Zang, Thomas A.
1992-01-01
A weakly nonlinear theory is developed to study the interaction of Tollmien-Schlichting (TS) waves and Dean vortices in curved channel flow. The predictions obtained from the theory agree well with results obtained from direct numerical simulations of curved channel flow, especially for low amplitude disturbances. Some discrepancies in the results of a previous theory with direct numerical simulations are resolved.
Weakly Hydrated Surfaces and the Binding Interactions of Small Biological Solutes
Brady, J. W.; Tavagnacco, L.; Ehrlich, L.; Chen, M.; Schnupf, U.; Himmel, M. E.; Saboungi, M. L.; Cesaro, A.
2012-04-01
Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an affinity for the weakly hydrated faces of glucopyranose. In addition, molecular species such as these, including indole, caffeine, and imidazole, exhibit a weak tendency to pair together by hydrophobic stacking in aqueous solution. These interactions can be partially understood in terms of recent models for the hydration of extended hydrophobic faces and should provide insight into the architecture of sugar-binding sites in proteins.
Effect of weak interaction on kaon condensation and cooling of neutron stars.
NASA Astrophysics Data System (ADS)
Fujii, H.; Muto, T.; Tatsumi, T.; Tamagaki, R.
1994-05-01
Kaon condensation and its implication in the cooling mechanism in neutron stars are investigated within a framework of current algebra and PCAC. The weak interaction, nÃ½p+K-, is shown to play a significant role in determining not only the critical density but also the equation of state of the K- condensed phase. The chemical equilibrium for the weak interaction leads to large proton-admixture. In connection with this result, the possibility of the direct URCA process, n→p+e-+ν¯e, p+e-→n+νe, is investigted. It is shown that, within a simple treatment without the nuclear interactions such as the symmetry energy, the kinematical condition for the direct URCA process is not satified despite the large proton-mixing, due to the resulting small electron Fermi momentum. The physical content of the K- condensation from a viewpoint of strangeness degrees of freedom is also discussed.
Effects of weak interaction on kaon condensation and cooling of neutron stars
NASA Astrophysics Data System (ADS)
Hirotsugu, Fujii; Takumi, Muto; Toshitaka, Tatsumi; Ryozo, Tamagaki
1994-05-01
Kaon condensation and its implication in the cooling mechanism in neutron stars are investigated within a framework of current algebra and PCAC. The weak interaction, n ⇌ p + K -, is shown to play a significant role in determining not only the critical density but also the equation of state of the K - condensed phase. The chemical equilibrium for the weak interaction leads to large proton-admixture. In connection with this result, the possibility of the direct URCA process, n → p + e- + v¯e, p + e- → n + v e, is investigated. It is shown that, within a simple treatment without the nuclear interactions such as the symmetry energy, the kinematical condition for the direct URCA process is not satisfied despite the large proton-mixing, due to the resulting small electron Fermi momentum. The physical content of the K - condensation from a viewpoint of strangeness degrees of freedom is also discussed.
Accurate control of a Bose-Einstein condensate by managing the atomic interaction
Morales-Molina, L.; Arevalo, E.
2010-07-15
We exploit the variation of the atomic interaction in order to move ultracold atoms with attractive interaction across an ac-driven periodic lattice. By breaking relevant symmetries, a gathering of atoms is achieved. Accurate control of the gathered atoms' positions can be demonstrated via the control of the atomic localization process. The localization process is analyzed with the help of the nonlinear Floquet states where the Landau-Zener tunneling between states is observed and controlled. Transport effects in the presence of disorder are discussed.
NASA Astrophysics Data System (ADS)
Byrne, J.
2011-03-01
Experimental data from unpolarized and polarized neutron beta -decay yield accurate values for the basic parameters of the P-violating T-conserving charged current weak interaction, thereby posing a potentially stringent unitarity test of the CKM quark mixing matrix. Experimental studies of the radiative (BR ~3.10-3) and two-body (BR ~ 4.10-6) decay branches are currently in progress.
Fullerton, G D; Keener, C R; Cameron, I L
1994-12-01
The authors describe empirical corrections to ideally dilute expressions for freezing point depression of aqueous solutions to arrive at new expressions accurate up to three molal concentration. The method assumes non-ideality is due primarily to solute/solvent interactions such that the correct free water mass Mwc is the mass of water in solution Mw minus I.M(s) where M(s) is the mass of solute and I an empirical solute/solvent interaction coefficient. The interaction coefficient is easily derived from the constant in the linear regression fit to the experimental plot of Mw/M(s) as a function of 1/delta T (inverse freezing point depression). The I-value, when substituted into the new thermodynamic expressions derived from the assumption of equivalent activity of water in solution and ice, provides accurate predictions of freezing point depression (+/- 0.05 degrees C) up to 2.5 molal concentration for all the test molecules evaluated; glucose, sucrose, glycerol and ethylene glycol. The concentration limit is the approximate monolayer water coverage limit for the solutes which suggests that direct solute/solute interactions are negligible below this limit. This is contrary to the view of many authors due to the common practice of including hydration forces (a soft potential added to the hard core atomic potential) in the interaction potential between solute particles. When this is recognized the two viewpoints are in fundamental agreement. PMID:7699200
Contribution of excited states to stellar weak-interaction rates in odd-A nuclei
NASA Astrophysics Data System (ADS)
Sarriguren, P.
2016-05-01
Weak-interaction rates, including β decay and electron capture, are studied in several odd-A nuclei in the p f -shell region at various densities and temperatures of astrophysical interest. Special attention is paid to the relative contribution to these rates of thermally populated excited states in the decaying nucleus. The nuclear structure involved in the weak processes is studied within a quasiparticle random-phase approximation with residual interactions in both particle-hole and particle-particle channels on top of a deformed Skyrme Hartree-Fock mean field with pairing correlations. In the range of densities and temperatures considered, it is found that the total rates do not differ much from the rates of the ground state fully populated. In any case, the changes are not larger than the uncertainties due to the nuclear-model dependence of the rates.
NASA Astrophysics Data System (ADS)
Saliba, J.; Lugan, P.; Savona, V.
2013-04-01
An iterative scheme based on the kernel polynomial method is devised for the efficient computation of the one-body density matrix of weakly interacting Bose gases within Bogoliubov theory. This scheme is used to analyze the coherence properties of disordered bosons in one and two dimensions. In the one-dimensional geometry, we examine the quantum phase transition between superfluid and Bose glass at weak interactions, and we recover the scaling of the phase boundary that was characterized using a direct spectral approach by Fontanesi et al (2010 Phys. Rev. A 81 053603). The kernel polynomial scheme is also used to study the disorder-induced condensate depletion in the two-dimensional geometry. Our approach paves the way for an analysis of coherence properties of Bose gases across the superfluid-insulator transition in two and three dimensions.
Weak interactions from 1950-1960: a quantitative bibliometric study of the formation of a field
White, D.H.; Sullivan, D.
1986-01-01
A quantitative technique is illustrated which uses publication statistics from a bibliography of citations in the area of weak interactions to provide a view of trends and patterns in the development of the field during the period from 1950 to 1960. An overview is given of what the physicists working in weak interactions during this period were doing as indicated by an analysis of the subjects of their papers. The dominant problems and concerns are discussed. Focus is then turned to the events surrounding the emergence of the tau/theta particle puzzle, the discovery of parity nonconservation, and the resolution offered by the V-A theory. Displaying the data from the citation index in unusual ways highlights dominant issues of the period, especially the close relationship between theory and experiment in the latter half of the decade. 64 refs., 14 figs. (LEW)
Weakly-Interacting Massive Particles in Torsionally-Gravitating Dirac Theory
NASA Astrophysics Data System (ADS)
Fabbri, Luca
2013-08-01
We shall consider the problem of Dark Matter (DM) in torsion gravity with Dirac matter fields; we will consider the fact that if Weakly-Interacting Massive Particles in a bath are allowed to form condensates then torsional effects may be relevant even at galactic scales: we show that torsionally-gravitating Dirac fields have interesting properties for the problem of DM. We discuss consequences.
Heavy hadron-string states as weakly interacting heavy dark-matter particles
NASA Astrophysics Data System (ADS)
Kudryavtsev, V. A.
2015-09-01
Massive states (with energies ≥ 10 GeV) of a hadronic string (with a scale α' ≈ 1GeV-2) can have a very small coupling to ordinary baryons in the Universe. The lifetime of such states is of the order of or even greater than the age of the Universe. These heavy states are assumed to be possible candidates for the role of weakly interacting heavy dark-matter particles.
Visualization of the Interaction of Weak Disturbances of a Flow with the Boundary Layer
NASA Astrophysics Data System (ADS)
Chaplits, A. D.
2014-05-01
Results of experimental investigations of flows around wedge-shaped obstacles of different height installed in a supersonic conical nozzle at M = 2.7 by the methods of color surface visualization and "laser knife" are presented. The influence of the interaction of weak disturbances of these flows by the passive side of the obstacles with the boundary layer on their structure and behavior was determined. The side force of the nozzle was measured.
Kieslich, Chris A.; Tamamis, Phanourios; Guzman, Yannis A.; Onel, Melis; Floudas, Christodoulos A.
2016-01-01
HIV-1 entry into host cells is mediated by interactions between the V3-loop of viral glycoprotein gp120 and chemokine receptor CCR5 or CXCR4, collectively known as HIV-1 coreceptors. Accurate genotypic prediction of coreceptor usage is of significant clinical interest and determination of the factors driving tropism has been the focus of extensive study. We have developed a method based on nonlinear support vector machines to elucidate the interacting residue pairs driving coreceptor usage and provide highly accurate coreceptor usage predictions. Our models utilize centroid-centroid interaction energies from computationally derived structures of the V3-loop:coreceptor complexes as primary features, while additional features based on established rules regarding V3-loop sequences are also investigated. We tested our method on 2455 V3-loop sequences of various lengths and subtypes, and produce a median area under the receiver operator curve of 0.977 based on 500 runs of 10-fold cross validation. Our study is the first to elucidate a small set of specific interacting residue pairs between the V3-loop and coreceptors capable of predicting coreceptor usage with high accuracy across major HIV-1 subtypes. The developed method has been implemented as a web tool named CRUSH, CoReceptor USage prediction for HIV-1, which is available at http://ares.tamu.edu/CRUSH/. PMID:26859389
Weak Interaction Models with New Quarks and Right-handed Currents
DOE R&D Accomplishments Database
Wilczek, F. A.; Zee, A.; Kingsley, R. L.; Treiman, S. B.
1975-06-01
We discuss various weak interaction issues for a general class of models within the SU(2) x U(1) gauge theory framework, with special emphasis on the effects of right-handed, charged currents and of quarks bearing new quantum numbers. In particular we consider the restrictions on model building which are imposed by the small KL - KS mass difference and by the .I = = rule; and we classify various possibilities for neutral current interactions and, in the case of heavy mesons with new quantum numbers, various possibilities for mixing effects analogous to KL - KS mixing.
Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas
Li Huayu; Ki, Hyungson
2010-07-15
This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO{sub 2} laser interaction with helium is simulated successfully.
Weak localization and electron–electron interactions in few layer black phosphorus devices
NASA Astrophysics Data System (ADS)
Shi, Yanmeng; Gillgren, Nathaniel; Espiritu, Timothy; Tran, Son; Yang, Jiawei; Watanabe, Kenji; Taniguchi, Takahashi; Lau, Chun Ning
2016-09-01
Few layer phosphorene (FLP) devices are extensively studied due to their unique electronic properties and potential applications on nano-electronics. Here we present magnetotransport studies which reveal electron–electron interactions as the dominant scattering mechanism in hexagonal boron nitride-encapsulated FLP devices. From weak localization measurements, we estimate the electron dephasing length to be 30 to 100 nm at low temperatures, which exhibits a strong dependence on carrier density n and a power-law dependence on temperature (∼T ‑0.4). These results establish that the dominant scattering mechanism in FLP is electron–electron interactions.
Nuclear proton and neutron distributions in the detection of weak interacting massive particles
Co', G.; Donno, V. De; Anguiano, M.; Lallena, A.M. E-mail: viviana.de.donno@le.infn.it E-mail: lallena@ugr.es
2012-11-01
In the evaluation of weak interacting massive particles (WIMPs) detection rates, the WIMP-nucleus cross section is commonly described by using form factors extracted from charge distributions. In this work, we use different proton and neutron distributions taken from Hartree-Fock calculations. We study the effects of this choice on the total detection rates for six nuclei having different neutron excess, and taken from different regions of the nuclear chart. The use of different distributions for protons and neutrons becomes more important if isospin-dependent WIMP-nucleon interactions are considered. The need for distinct descriptions of proton and neutron densities decreases with the lowering of detection energy thresholds.
Benchmark data base for accurate van der Waals interaction in inorganic fragments
NASA Astrophysics Data System (ADS)
Brndiar, Jan; Stich, Ivan
2012-02-01
A range of inorganic materials, such as Sb, As, P, S, Se are built from van der Waals (vdW) interacting units forming the crystals, which neither the standard DFT GGA description as well as cheap quantum chemistry methods, such as MP2, do not describe correctly. We use this data base, for which have performed ultra accurate CCSD(T) calculations in complete basis set limit, to test the alternative approximate theories, such as Grimme [1], Langreth-Lundqvist [2], and Tkachenko-Scheffler [3]. While none of these theories gives entirely correct description, Grimme consistently provides more accurate results than Langreth-Lundqvist, which tend to overestimate the distances and underestimate the interaction energies for this set of systems. Contrary Tkachenko-Scheffler appear to yield surprisingly accurate and computationally cheap and convenient description applicable also for systems with appreciable charge transfer. [4pt] [1] S. Grimme, J. Comp. Chem. 27, 1787 (2006) [0pt] [2] K. Lee, et al., Phys. Rev. B 82 081101 (R) (2010) [0pt] [3] Tkachenko and M. Scheffler Phys. Rev. Lett. 102 073005 (2009).
Nap, R J; Tagliazucchi, M; Szleifer, I
2014-01-14
This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads
Nap, R. J.; Tagliazucchi, M.; Szleifer, I.
2014-01-14
This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads
NASA Astrophysics Data System (ADS)
Nap, R. J.; Tagliazucchi, M.; Szleifer, I.
2014-01-01
This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads
Ion-mediated interactions between net-neutral slabs: Weak and strong disorder effects
NASA Astrophysics Data System (ADS)
Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf
2015-12-01
We investigate the effective interaction between two randomly charged but otherwise net-neutral, planar dielectric slabs immersed in an asymmetric Coulomb fluid containing a mixture of mobile monovalent and multivalent ions. The presence of charge disorder on the apposed bounding surfaces of the slabs leads to substantial qualitative changes in the way they interact, as compared with the standard picture provided by the van der Waals and image-induced, ion-depletion interactions. While, the latter predict purely attractive interactions between strictly neutral slabs, we show that the combined effects from surface charge disorder, image depletion, Debye (or salt) screening, and also, in particular, their coupling with multivalent ions, give rise to a more diverse behavior for the effective interaction between net-neutral slabs at nano-scale separations. Disorder effects show large variation depending on the properly quantified strength of disorder, leading either to non-monotonic effective interaction with both repulsive and attractive branches when the surface charges are weakly disordered (small disorder variance) or to a dominating attractive interaction that is larger both in its range and magnitude than what is predicted from the van der Waals and image-induced, ion-depletion interactions, when the surfaces are strongly disordered (large disorder variance).
Ion-mediated interactions between net-neutral slabs: Weak and strong disorder effects.
Ghodrat, Malihe; Naji, Ali; Komaie-Moghaddam, Haniyeh; Podgornik, Rudolf
2015-12-21
We investigate the effective interaction between two randomly charged but otherwise net-neutral, planar dielectric slabs immersed in an asymmetric Coulomb fluid containing a mixture of mobile monovalent and multivalent ions. The presence of charge disorder on the apposed bounding surfaces of the slabs leads to substantial qualitative changes in the way they interact, as compared with the standard picture provided by the van der Waals and image-induced, ion-depletion interactions. While, the latter predict purely attractive interactions between strictly neutral slabs, we show that the combined effects from surface charge disorder, image depletion, Debye (or salt) screening, and also, in particular, their coupling with multivalent ions, give rise to a more diverse behavior for the effective interaction between net-neutral slabs at nano-scale separations. Disorder effects show large variation depending on the properly quantified strength of disorder, leading either to non-monotonic effective interaction with both repulsive and attractive branches when the surface charges are weakly disordered (small disorder variance) or to a dominating attractive interaction that is larger both in its range and magnitude than what is predicted from the van der Waals and image-induced, ion-depletion interactions, when the surfaces are strongly disordered (large disorder variance). PMID:26696064
Strong orbital interaction in a weak CH-π hydrogen bonding system
NASA Astrophysics Data System (ADS)
Li, Jianfu; Zhang, Rui-Qin
2016-03-01
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to interatomic orbital interaction, the intermolecular interaction of orbitals forms “bonding” and “antibonding” orbitals. In the interaction between occupied orbitals, the total energy of the complex increases because of the occupation of the antibonding orbital. The existence of the CH-π hydrogen bond between benzene and methane causes a decrease in rest energy level, leading to at least -1.51 kcal/mol intermolecular interaction energy. Our finding extends the concept of orbital interaction from the intramolecular to the intermolecular regime and gives a reliable explanation of the deep orbital reformation in the benzene-methane complex.
Strong orbital interaction in a weak CH-π hydrogen bonding system
Li, Jianfu; Zhang, Rui-Qin
2016-01-01
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to interatomic orbital interaction, the intermolecular interaction of orbitals forms “bonding” and “antibonding” orbitals. In the interaction between occupied orbitals, the total energy of the complex increases because of the occupation of the antibonding orbital. The existence of the CH-π hydrogen bond between benzene and methane causes a decrease in rest energy level, leading to at least −1.51 kcal/mol intermolecular interaction energy. Our finding extends the concept of orbital interaction from the intramolecular to the intermolecular regime and gives a reliable explanation of the deep orbital reformation in the benzene-methane complex. PMID:26927609
Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James; Stamatakis, Michail
2013-12-14
Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. More recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.
Park, In Soo; Kwak, Tae Joon; Lee, Gyudo; Son, Myeonggu; Choi, Jeong Woo; Choi, Seungyeop; Nam, Kihwan; Lee, Sei-Young; Chang, Woo-Jin; Eom, Kilho; Yoon, Dae Sung; Lee, Sangyoup; Bashir, Rashid; Lee, Sang Woo
2016-04-26
The direct quantification of weak intermolecular binding interactions is very important for many applications in biology and medicine. Techniques that can be used to investigate such interactions under a controlled environment, while varying different parameters such as loading rate, pulling direction, rupture event measurements, and the use of different functionalized probes, are still lacking. Herein, we demonstrate a biaxial dielectrophoresis force spectroscopy (BDFS) method that can be used to investigate weak unbinding events in a high-throughput manner under controlled environments and by varying the pulling direction (i.e., transverse and/or vertical axes) as well as the loading rate. With the BDFS system, we can quantitatively analyze binding interactions related to hydrogen bonding or ionic attractions between functionalized microbeads and a surface within a microfluidic device. Our BDFS system allowed for the characterization of the number of bonds involved in an interaction, bond affinity, kinetic rates, and energy barrier heights and widths from different regimes of the energy landscape. PMID:27007455
Hemmerle, Arnaud; Malaquin, Linda; Charitat, Thierry; Lecuyer, Sigolène; Fragneto, Giovanna; Daillant, Jean
2012-01-01
Understanding interactions between membranes requires measurements on well-controlled systems close to natural conditions, in which fluctuations play an important role. We have determined, by grazing incidence X-ray scattering, the interaction potential between two lipid bilayers, one adsorbed on a solid surface and the other floating close by. We find that interactions in this highly hydrated model system are two orders of magnitude softer than in previously reported work on multilayer stacks. This is attributed to the weak electrostatic repulsion due to the small fraction of ionized lipids in supported bilayers with a lower number of defects. Our data are consistent with the Poisson–Boltzmann theory, in the regime where repulsion is dominated by the entropy of counter ions. We also have unique access to very weak entropic repulsion potentials, which allowed us to discriminate between the various models proposed in the literature. We further demonstrate that the interaction potential between supported bilayers can be tuned at will by applying osmotic pressure, providing a way to manipulate these model membranes, thus considerably enlarging the range of biological or physical problems that can be addressed. PMID:23169650
Maheshwari, Surabhi; Brylinski, Michal
2015-01-01
The identification of protein-protein interactions is vital for understanding protein function, elucidating interaction mechanisms, and for practical applications in drug discovery. With the exponentially growing protein sequence data, fully automated computational methods that predict interactions between proteins are becoming essential components of system-level function inference. A thorough analysis of protein complex structures demonstrated that binding site locations as well as the interfacial geometry are highly conserved across evolutionarily related proteins. Because the conformational space of protein-protein interactions is highly covered by experimental structures, sensitive protein threading techniques can be used to identify suitable templates for the accurate prediction of interfacial residues. Toward this goal, we developed eFindSite(PPI) , an algorithm that uses the three-dimensional structure of a target protein, evolutionarily remotely related templates and machine learning techniques to predict binding residues. Using crystal structures, the average sensitivity (specificity) of eFindSite(PPI) in interfacial residue prediction is 0.46 (0.92). For weakly homologous protein models, these values only slightly decrease to 0.40-0.43 (0.91-0.92) demonstrating that eFindSite(PPI) performs well not only using experimental data but also tolerates structural imperfections in computer-generated structures. In addition, eFindSite(PPI) detects specific molecular interactions at the interface; for instance, it correctly predicts approximately one half of hydrogen bonds and aromatic interactions, as well as one third of salt bridges and hydrophobic contacts. Comparative benchmarks against several dimer datasets show that eFindSite(PPI) outperforms other methods for protein-binding residue prediction. It also features a carefully tuned confidence estimation system, which is particularly useful in large-scale applications using raw genomic data. eFindSite(PPI) is
Schwartz, D.J.
1995-07-01
NMR spectroscopy is ideal for studying weak interactions (formation enthalpy {le}20 kcal/mol) in solution. The metallocene bis(pentamethylcyclopentadienyl)ytterbium, Cp*{sub 2}Yb, is ideal for this purpose. cis-P{sub 2}PtH{sub 2}complexes (P = phosphine) were used to produce slow-exchange Cp*{sub 2}YbL adducts for NMR study. Reversible formation of (P{sub 2}PtH){sub 2} complexes from cis-P{sub 2}PtH{sub 2} complexes were also studied, followed by interactions of Cp*{sub 2}Yb with phosphines, R{sub 3}PX complexes. A NMR study was done on the interactions of Cp*{sub 2}Yb with H{sub 2}, CH{sub 4}, Xe, CO, silanes, stannanes, C{sub 6}H{sub 6}, and toluene.
Consistent role of weak and strong interactions in high- and low-diversity trophic food webs.
Gellner, Gabriel; McCann, Kevin S
2016-01-01
The growing realization of a looming biodiversity crisis has inspired considerable progress in the quest to link biodiversity, structure and ecosystem function. Here we construct a method that bridges low- and high-diversity approaches to food web theory by elucidating the connection between the stability of the basic building block of food webs and the mean stability properties of large random food web networks. Applying this theoretical framework to common food web models reveals two key findings. First, in almost all cases, high-diversity food web models yield a stability relationship between weak and strong interactions that are compatible in every way to simple low-diversity models. And second, the models that generate the recently discovered phenomena of being purely stabilized by increasing interaction strength correspond to the biologically implausible assumption of perfect interaction strength symmetry. PMID:27068000
Consistent role of weak and strong interactions in high- and low-diversity trophic food webs
Gellner, Gabriel; McCann, Kevin S.
2016-01-01
The growing realization of a looming biodiversity crisis has inspired considerable progress in the quest to link biodiversity, structure and ecosystem function. Here we construct a method that bridges low- and high-diversity approaches to food web theory by elucidating the connection between the stability of the basic building block of food webs and the mean stability properties of large random food web networks. Applying this theoretical framework to common food web models reveals two key findings. First, in almost all cases, high-diversity food web models yield a stability relationship between weak and strong interactions that are compatible in every way to simple low-diversity models. And second, the models that generate the recently discovered phenomena of being purely stabilized by increasing interaction strength correspond to the biologically implausible assumption of perfect interaction strength symmetry. PMID:27068000
NASA Astrophysics Data System (ADS)
Kuklov, A. B.; Blanchard, T.; Svistunov, B. V.
2009-03-01
Weakly interacting Bose gas represents strongly correlated classical field within a domain (determined by the gas parameter ) of its Bose-Einstein condensation (BEC) temperature T=Tc. Thus, N-component weakly interacting mixtures representing some symmetry can potentially exhibit rich phase diagram (PD). In particular, it can feature quasi-molecular phases preceding actual formation of the ODLRO in the vicinity of Tc. However, realization of a specific part of the PD depends on details of interactions. As examples, we consider mixtures characterized by O(2)xO(2) symmetry (N=2) and spin S=1 with the symmetry reduced to U(1)xU(1) (N=3). Monte Carlo simulations of these systems find a single line of the respective two- and three-component BEC transitions which has tricritical point separating II and I order transitions. No quasi-molecular phases have been found despite that na"ive mean field (with one loop correction) predicts it. We discuss how such phases can emerge above the actual N-component BEC transition. One suggestion relies on Feschbach resonance detuned into negative inter-specie scattering length even when the gas parameter remains small. We acknowledge support from NSF grants PHY 0653135, 0653183 and CUNY grant 80209-0914.
Anomalous supersolidity in a weakly interacting dipolar Bose mixture on a square lattice
NASA Astrophysics Data System (ADS)
Wilson, Ryan M.; Shirley, Wilbur E.; Natu, Stefan S.
2016-01-01
We calculate the mean-field phase diagram of a zero-temperature, binary Bose mixture on a square optical lattice, where one species possesses a non-negligible dipole moment. Remarkably, this system exhibits supersolidity for anomalously weak dipolar interaction strengths, which are readily accessible with current experimental capabilities. The supersolid phases are robust, in that they occupy large regions in the parameter space. Further, we identify a first-order quantum phase transition between supersolid and superfluid phases. Our results demonstrate the rich features of the dipolar Bose mixture, and suggest that this system is well suited for exploring supersolidity in the experimental setting.
Search for Low-Mass Weakly Interacting Massive Particles with SuperCDMS
Agnese, R.; Anderson, Alan J.; Asai, M.; balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Beaty, John; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Chen, Y.; Cherry, M.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, Priscilla B.; Daal, M.; DeVaney, D.; DeStefano, PC F.; Do Couto E Silva, E.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, Jeter C.; Hansen, S.; Harris, Harold R.; Hertel, S. A.; Hines, B. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kenany, S.; Kennedy, A.; Kiveni, M.; Koch, K.; Leder, A.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, M.; Moffatt, R. A.; Nelson, R. H.; Novak, L.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Platt, M.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redl, P.; Reisetter, A.; Resch, R. W.; Ricci, Y.; Ruschman, M.; Saab, T.; Sadoulet, B.; Sander, J.; Schmitt, R.; Schneck, K.; Schnee, Richard; Scorza, A.; Seitz, D.; Serfass, B.; Shank, B.; Speller, D.; Tomada, A.; Upadhyayula, S.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.
2014-06-01
We report a first search for weakly interacting massive particles (WIMPs) using the background rejection capabilities of SuperCDMS. An exposure of 577 kg-days was analyzed for WIMPs with mass < 30 GeV/c2, with the signal region blinded. Eleven events were observed after unblinding. We set an upper limit on the spin-independent WIMP-nucleon cross section of 1:2 10-42cm2 at 8 GeV/c2. This result is in tension with WIMP interpretations of recent experiments and probes new parameter space for WIMP-nucleon scattering for WIMP masses < 6 GeV/c2.
Spin-orbit coupled weakly interacting Bose-Einstein condensates in harmonic traps.
Hu, Hui; Ramachandhran, B; Pu, Han; Liu, Xia-Ji
2012-01-01
We investigate theoretically the phase diagram of a spin-orbit coupled Bose gas in two-dimensional harmonic traps. We show that at strong spin-orbit coupling the single-particle spectrum decomposes into different manifolds separated by ℏω{⊥}, where ω{⊥} is the trapping frequency. For a weakly interacting gas, quantum states with Skyrmion lattice patterns emerge spontaneously and preserve either parity symmetry or combined parity-time-reversal symmetry. These phases can be readily observed in a spin-orbit coupled gas of ^{87}Rb atoms in a highly oblate trap. PMID:22304247
Crossover from 2D to 3D in a Weakly Interacting Fermi Gas
Dyke, P.; Kuhnle, E. D.; Hu, H.; Mark, M.; Hoinka, S.; Lingham, M.; Hannaford, P.; Vale, C. J.; Whitlock, S.
2011-03-11
We have studied the transition from two to three dimensions in a low temperature weakly interacting {sup 6}Li Fermi gas. Below a critical atom number N{sub 2D} only the lowest transverse vibrational state of a highly anisotropic oblate trapping potential is occupied and the gas is two dimensional. Above N{sub 2D} the Fermi gas enters the quasi-2D regime where shell structure associated with the filling of individual transverse oscillator states is apparent. This dimensional crossover is demonstrated through measurements of the cloud size and aspect ratio versus atom number.
Castner, E.W. Jr.; Chang, Y.J.; Melinger, J.S.; McMorrow, D.
1993-07-01
Recent work on the subject of solvation dynamics has concentrated on understanding the ultrafast dynamics of intermolecular interactions in strongly interacting, polar, and hydrogen-bonding solvents. In general, investigations into the effects of solvation dynamics on chemical reactions have concentrated on the highly polar liquids because it is in these solvents that the largest spectroscopic changes with solvent relaxation are observed. In these very polar liquids, however, the intermolecular dynamics are very complex, consisting of contributions from reorientational diffusion, inertially limited rotations, intermolecular vibrations involving both reorientational (librational) and translational degrees of freedom, and interaction-induced collisional effects. The role of collisional interaction-induced effects in shaping the intermolecular dynamics of molecular liquids has been a subject of considerable discussion. Molecular dynamics simulations have suggested that collisional effects can have a significant role in shaping the femtosecond dynamics and nonlinear-optical properties of molecular liquids. However, for anisotropic molecules, it is difficult to separate experimentally the collisional effects from other phenomena. In this paper the authors examine the intermolecular dynamics of the weakly interacting liquid carbon tetrachloride (CCl{sub 4}). Because carbon tetrachloride is a spherical top molecule (belonging to the T{sub d} point group), its intermolecular light-scattering spectrum is purely interaction-induced. By studying this purely collision-induced feature in CCl{sub 4}, the authors hope to gain insight on the lowest-frequency intermolecular vibrational behavior of more complex systems.
Four-body long-range interactions between ultracold weakly-bound diatomic molecules
NASA Astrophysics Data System (ADS)
Lepers, M.; Quéméner, G.; Luc-Koenig, E.; Dulieu, O.
2016-01-01
Using the multipolar expansion of electrostatic and magnetostatic potential energies, we characterize the long-range interactions between two weakly-bound diatomic molecules, taking as an example the paramagnetic Er2 Feshbach molecules which were produced recently. Since inside each molecule individual atoms conserve their identity, the intermolecular potential energy can be expanded as the sum of pairwise atomic potential energies. In the case of Er2 Feshbach molecules, we show that the interaction between atomic magnetic dipoles gives rise to the usual {R}-3 term of the multipolar expansion, where R is the intermolecular distance, but also to additional terms scaling as {R}-5, {R}-7, and so on. Those terms are due to the interaction between effective molecular multipole moments, and are strongly anisotropic with respect to the orientation of the molecules. Similarly, the atomic pairwise van der Waals interaction results in {R}-6, {R}-8, ... terms in the intermolecular potential energy. By calculating the reduced electric-quadrupole moment of erbium ground level < {}3{H}6| | {\\hat{Q}}2| | {}3{H}6> =-1.305 a.u., we also demonstrate that the electric–quadrupole interaction energy is negligible with respect to the magnetic dipole and van der Waals interaction energies. The general formalism presented in this article can be applied to calculate the long-range potential energy between arbitrary charge distributions composed of almost free subsystems.
Ren, Jing; Xianyu, Zhong-Zhi; He, Hong-Jian E-mail: xianyuzhongzhi@gmail.com
2014-06-01
We study gravitational interaction of Higgs boson through the unique dimension-4 operator ξH{sup †}HR, with H the Higgs doublet and R the Ricci scalar curvature. We analyze the effect of this dimensionless nonminimal coupling ξ on weak gauge boson scattering in both Jordan and Einstein frames. We explicitly establish the longitudinal-Goldstone equivalence theorem with nonzero ξ coupling in both frames, and analyze the unitarity constraints. We study the ξ-induced weak boson scattering cross sections at O(1−30) TeV scales, and propose to probe the Higgs-gravity coupling via weak boson scattering experiments at the LHC (14 TeV) and the next generation pp colliders (50-100 TeV). We further extend our study to Higgs inflation, and quantitatively derive the perturbative unitarity bounds via coupled channel analysis, under large field background at the inflation scale. We analyze the unitarity constraints on the parameter space in both the conventional Higgs inflation and the improved models in light of the recent BICEP2 data.
NASA Astrophysics Data System (ADS)
Ren, Jing; Xianyu, Zhong-Zhi; He, Hong-Jian
2014-06-01
We study gravitational interaction of Higgs boson through the unique dimension-4 operator ξH†HScript R, with H the Higgs doublet and Script R the Ricci scalar curvature. We analyze the effect of this dimensionless nonminimal coupling ξ on weak gauge boson scattering in both Jordan and Einstein frames. We explicitly establish the longitudinal-Goldstone equivalence theorem with nonzero ξ coupling in both frames, and analyze the unitarity constraints. We study the ξ-induced weak boson scattering cross sections at Script O(1-30) TeV scales, and propose to probe the Higgs-gravity coupling via weak boson scattering experiments at the LHC (14 TeV) and the next generation pp colliders (50-100 TeV). We further extend our study to Higgs inflation, and quantitatively derive the perturbative unitarity bounds via coupled channel analysis, under large field background at the inflation scale. We analyze the unitarity constraints on the parameter space in both the conventional Higgs inflation and the improved models in light of the recent BICEP2 data.
Connolly, Brian D.; Petry, Chris; Yadav, Sandeep; Demeule, Barthélemy; Ciaccio, Natalie; Moore, Jamie M.R.; Shire, Steven J.; Gokarn, Yatin R.
2012-01-01
Weak protein-protein interactions are thought to modulate the viscoelastic properties of concentrated antibody solutions. Predicting the viscoelastic behavior of concentrated antibodies from their dilute solution behavior is of significant interest and remains a challenge. Here, we show that the diffusion interaction parameter (kD), a component of the osmotic second virial coefficient (B2) that is amenable to high-throughput measurement in dilute solutions, correlates well with the viscosity of concentrated monoclonal antibody (mAb) solutions. We measured the kD of 29 different mAbs (IgG1 and IgG4) in four different solvent conditions (low and high ion normality) and found a linear dependence between kD and the exponential coefficient that describes the viscosity concentration profiles (|R| ≥ 0.9). Through experimentally measured effective charge measurements, under low ion normality where the electroviscous effect can dominate, we show that the mAb solution viscosity is poorly correlated with the mAb net charge (|R| ≤ 0.6). With this large data set, our results provide compelling evidence in support of weak intermolecular interactions, in contrast to the notion that the electroviscous effect is important in governing the viscoelastic behavior of concentrated mAb solutions. Our approach is particularly applicable as a screening tool for selecting mAbs with desirable viscosity properties early during lead candidate selection. PMID:22828333
PLIF: A rapid, accurate method to detect and quantitatively assess protein-lipid interactions.
Ceccato, Laurie; Chicanne, Gaëtan; Nahoum, Virginie; Pons, Véronique; Payrastre, Bernard; Gaits-Iacovoni, Frédérique; Viaud, Julien
2016-01-01
Phosphoinositides are a type of cellular phospholipid that regulate signaling in a wide range of cellular and physiological processes through the interaction between their phosphorylated inositol head group and specific domains in various cytosolic proteins. These lipids also influence the activity of transmembrane proteins. Aberrant phosphoinositide signaling is associated with numerous diseases, including cancer, obesity, and diabetes. Thus, identifying phosphoinositide-binding partners and the aspects that define their specificity can direct drug development. However, current methods are costly, time-consuming, or technically challenging and inaccessible to many laboratories. We developed a method called PLIF (for "protein-lipid interaction by fluorescence") that uses fluorescently labeled liposomes and tethered, tagged proteins or peptides to enable fast and reliable determination of protein domain specificity for given phosphoinositides in a membrane environment. We validated PLIF against previously known phosphoinositide-binding partners for various proteins and obtained relative affinity profiles. Moreover, PLIF analysis of the sorting nexin (SNX) family revealed not only that SNXs bound most strongly to phosphatidylinositol 3-phosphate (PtdIns3P or PI3P), which is known from analysis with other methods, but also that they interacted with other phosphoinositides, which had not previously been detected using other techniques. Different phosphoinositide partners, even those with relatively weak binding affinity, could account for the diverse functions of SNXs in vesicular trafficking and protein sorting. Because PLIF is sensitive, semiquantitative, and performed in a high-throughput manner, it may be used to screen for highly specific protein-lipid interaction inhibitors. PMID:27025878
Cauchy, Thomas; Ruiz, Eliseo; Jeannin, Olivier; Nomura, Mitsushiro; Fourmigué, Marc
2007-01-01
The magnetic properties of a series of three neutral radical organometallic complexes of general formula [CpNi(dithiolene)]. have been investigated by a combination of X-ray crystal structure analysis and magnetic susceptibility measurements, while the assignment of the exchange coupling constants to the possible exchange pathways has been accomplished with the help of calculations based on density functional theory (DFT). The syntheses and X-ray structures of [CpNi(adt)] (adt=acrylonitrile-2,3-dithiolate) and [CpNi(tfd)] (tfd=1,2-bis(trifluoromethyl)ethene-1,2-dithiolate) complexes are described, while [CpNi(mnt)] (mnt=maleonitriledithiolate) was reported earlier. In the three complexes, we observed strong antiferromagnetic coupling that could not be explained solely by short SS intermolecular contacts. Our calculations indicated that spin density in these complexes is strongly delocalized on the NiS2 moiety, with up to 20% on the Cp ring. As a consequence, CpCp and Cpdithiolene overlap interactions have been identified as responsible for antiferromagnetic couplings. The [CpNi(adt)] complex thus has a value J=-369.5 cm(-1) for an exchange interaction through a pi stacking due to the CpCp overlap. PMID:17661321
Weak wave tide interaction formulation and its application to Cádiz bay
NASA Astrophysics Data System (ADS)
Kagan, B. A.; Tejedor, L.; Álvarez, O.; Izquierdo, A.; Tejedor, B.; Mañanes, R.
2001-04-01
Using a single-point, one-equation ( k- l) model for an oscillatory turbulent bottom boundary layer (BBL) above a hydrodynamically rough bottom and varying the external determining parameters over a wide range, we show that nonlinear wave/low-frequency current interaction effects are smaller, the greater are the ratio of near-bottom wave orbital velocity amplitude to friction-free, low-frequency current velocity amplitude and the ratio between frequencies of wave and low-frequency components of motion. Specifically, in shallow waters the bottom stress oscillations with wave and tidal frequencies are, with fair accuracy, weakly correlated, thereby suggesting that wave-tide interaction is substantially weak interaction. A new weak wave-tide interaction formulation is proposed. It involves a relationship for the drag coefficient in a wave-affected tidal flow and the surface Rossby number dependences for the scaled wave and tidal friction velocity amplitudes inferred from the resistance law for an oscillatory turbulent BBL over a hydrodynamically rough surface. This formulation is implemented within a 2D nonlinear, finite-difference, high-resolution, hydrodynamic model and the modified model is applied to quantify the wave-induced changes in the tidal dynamics and energetics of Cádiz Bay. The model results reveal one unexpected feature in the fields of maximum tidal velocity and mean tidal energy flux. Namely, wave-tide interaction responsible for enhancing the mean bottom stress throughout the bay tends to increase the maximum tidal velocities and the mean tidal energy fluxes at deeper depths and to reduce them at shallower depths. The reason for appearing this feature is an overall amplification of the mean tidal energy transport into the bay from Gulf of Cádiz. Based on the sensitivity study to varying wave parameters, the wave-induced seasonal variability in the M 2 tidal characteristics is found to be not pronounced in Cádiz Bay. This, however, does not rule
Weak incident shock interactions with Mach 8 laminar boundary layers. [of flat plate
NASA Technical Reports Server (NTRS)
Kaufman, L. G., II; Johnson, C. B.
1974-01-01
Weak shock-wave interactions with boundary layers on a flat plate were investigated experimentally in Mach 8 variable-density tunnel for plate-length Reynolds numbers. The undisturbed boundary layers were laminar over the entire plate length. Pressure and heat-transfer distributions were obtained for wedge-generated incident shock waves that resulted in pressure rises ranging from 1.36 to 4.46 (both nonseparated and separated boundary-layer flows). The resulting heat-transfer amplifications ranged from 1.45 to 14. The distributions followed established trends for nonseparated flows, for incipient separation, and for laminar free-interaction pressure rises. The experimental results corroborated established trends for the extent of the pressure rise and for certain peak heat-transfer correlations.
Weakly interacting spinor Bose–Einstein condensates with three-dimensional spin–orbit coupling
NASA Astrophysics Data System (ADS)
Shu-Wei, Song; Rui, Sun; Hong, Zhao; Xuan, Wang; Bao-Zhong, Han
2016-04-01
Starting from the Hamiltonian of the second quantization form, the weakly interacting Bose–Einstein condensate with spin–orbit coupling of Weyl type is investigated. It is found that the SU(2) nonsymmetric term, i.e., the spin-dependent interaction, can lift the degeneracy of the ground states with respect to the z component of the total angular momentum J z , casting the ground condensate state into a configuration of zero J z . This ground state density profile can also be affirmed by minimizing the full Gross–Pitaevskii energy functional. The spin texture of the zero J z state indicates that it is a knot structure, whose fundamental group is π 3(M) ≅ π 3(S 2) = Z. Project supported by the National Natural Science Foundation of China (Grant No. 11447178).
NASA Astrophysics Data System (ADS)
Chavda, Bhavin R.; Gandhi, Sahaj A.; Dubey, Rahul P.; Patel, Urmila H.; Barot, Vijay M.
2016-05-01
The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb -London -Pauli (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabilization of crystal packing.
The role of weak interactions on the mobility-edge of strongly disordered electron systems
NASA Astrophysics Data System (ADS)
Ekuma, Chinedu
New insights into the nature of the mobility edge of a weakly correlated, disordered Anderson spectra will be presented within the typical medium dynamical cluster approximation (TMDCA). The TMDCA systematically incorporates non-local spatial correlations (beyond the single-site approximations) treating the disorder to all orders and the interacting, non-local cluster self-energy up to second order in the perturbation expansion of the interactions, U. An arbitrary small interaction is found to lead to an exponential fast crossover of the sharp mobility edge that separates the localized and extended states in the non-interacting regime below the critical disorder strength WcU = 0 whenever the chemical potential of the non-interacting typical density of states is below the mobility edge energy. This smearing of the mobility edge is ascribed to the inelastic scattering due to U. However, as the chemical potential, μ approaches the smeared edge, reduction of the phase space for scattering by U causes the edge to once again become sharp. A concomitant soft-pseudogap is found at energy, ω = 0 independent of filling, which is linear rather than quadratic in ω, due to the lack of momentum conservation. The method is demonstrated on realistic low-dimensional structures. This work was supported by the Office of Naval Research through the Naval Research Laboratory and NSF DMR-1237565 and the NSF EPSCoR Cooperative Agreement EPS-1003897.
Quigley, A; Heng, J Y Y; Liddell, J M; Williams, D R
2013-11-01
Measurement of B22, the second virial coefficient, is an important technique for describing the solution behaviour of proteins, especially as it relates to precipitation, aggregation and crystallisation phenomena. This paper describes the best practise for calculating B22 values from self-interaction chromatograms (SIC) for aqueous protein solutions. Detailed analysis of SIC peak shapes for lysozyme shows that non-Gaussian peaks are commonly encountered for SIC, with typical peak asymmetries of 10%. This asymmetry reflects a non-linear chromatographic retention process, in this case heterogeneity of the protein-protein interactions. Therefore, it is important to use the centre of mass calculations for determining accurate retention volumes and thus B22 values. Empirical peak maximum chromatogram analysis, often reported in the literature, can result in errors of up to 50% in B22 values. A methodology is reported here for determining both the mean and the variance in B22 from SIC experiments, includes a correction for normal longitudinal peak broadening. The variance in B22 due to chemical effects is quantified statistically and is a measure of the heterogeneity of protein-protein interactions in solution. In the case of lysozyme, a wide range of B22 values are measured which can vary significantly from the average B22 values. PMID:23623796
The Weak Shall Inherit: Bacteriocin-Mediated Interactions in Bacterial Populations
Majeed, Hadeel; Lampert, Adam; Ghazaryan, Lusine; Gillor, Osnat
2013-01-01
Background Evolutionary arms race plays a major role in shaping biological diversity. In microbial systems, competition often involves chemical warfare and the production of bacteriocins, narrow-spectrum toxins aimed at killing closely related strains by forming pores in their target’s membrane or by degrading the target’s RNA or DNA. Although many empirical and theoretical studies describe competitive exclusion of bacteriocin-sensitive strains by producers of bacteriocins, the dynamics among producers are largely unknown. Methodology/Principal findings We used a reporter-gene assay to show that the bacterial response to bacteriocins’ treatment mirrors the inflicted damage Potent bacteriocins are lethal to competing strains, but at sublethal doses can serve as strong inducing agents, enhancing their antagonists’ bacteriocin production. In contrast, weaker bacteriocins are less toxic to their competitors and trigger mild bacteriocin expression. We used empirical and numerical models to explore the role of cross-induction in the arms race between bacteriocin-producing strains. We found that in well-mixed, unstructured environments where interactions are global, producers of weak bacteriocins are selectively advantageous and outcompete producers of potent bacteriocins. However, in spatially structured environments, where interactions are local, each producer occupies its own territory, and competition takes place only in “no man’s lands” between territories, resulting in much slower dynamics. Conclusion/Significance The models we present imply that producers of potent bacteriocins that trigger a strong response in neighboring bacteriocinogenic strains are doomed, while producers of weak bacteriocins that trigger a mild response in bacteriocinogenic strains flourish. This counter-intuitive outcome might explain the preponderance of weak bacteriocin producers in nature. However, the described scenario is prolonged in spatially structured environments thus
Schwarzmüller, Florian; Eisenhauer, Nico; Brose, Ulrich
2015-05-01
Human activities may compromise biodiversity if external stressors such as nutrient enrichment endanger overall network stability by inducing unstable dynamics. However, some ecosystems maintain relatively high diversity levels despite experiencing continuing disturbances. This indicates that some intrinsic properties prevent unstable dynamics and resulting extinctions. Identifying these 'ecosystem buffers' is crucial for our understanding of the stability of ecosystems and an important tool for environmental and conservation biologists. In this vein, weak interactions have been suggested as stabilizing elements of complex systems, but their relevance has rarely been tested experimentally. Here, using network and allometric theory, we present a novel concept for a priori identification of species that buffer against externally induced instability of increased population oscillations via weak interactions. We tested our model in a microcosm experiment using a soil food-web motif. Our results show that large-bodied species feeding at the food web's base, so called 'trophic whales', can buffer ecosystems against unstable dynamics induced by nutrient enrichment. Similar to the functionality of chemical or mechanical buffers, they serve as 'biotic buffers' that take up stressor effects and thus protect fragile systems from instability. We discuss trophic whales as common functional building blocks across ecosystems. Considering increasing stressor effects under anthropogenic global change, conservation of these network-intrinsic biotic buffers may help maintain the stability and diversity of natural ecosystems. PMID:25420573
Metal Recognition Driven by Weak Interactions: A Case Study in Solvent Extraction.
Poirot, Rémi; Le Goff, Xavier; Diat, Olivier; Bourgeois, Damien; Meyer, Daniel
2016-07-18
Tuning the affinity of a medium for a given metallic cation with the sole modification of weak interactions is a challenge for molecular recognition. Solvent extraction is a key technique employed in the recovery and purification of valuable metals, and it is facing an increased complexity of metal fluxes to deal with. The selectivity of such processes generally relies on the use of specific ligands, designed after their coordination chemistry. In the present study, we illustrate the possibility to employ the sole control of weak interactions to achieve the selective extraction of Pd(II) over Nd(III) : the control over selectivity is obtained by tuning the self-assembly of the organic phase. A model is proposed, after detailed experimental analysis of molecular (XRD, NMR) and supra-molecular (SAXS) features of the organic phases. We thus demonstrate that Pd(II) extraction is driven by metal coordination, whereas Nd(III) extraction requires aggregation of the extractant in addition to metal coordination. These results are of general interest for the applications which rely on the stabilization of metals in organic phases. PMID:27062532
Antiparallel Self-Association of a γ,α-Hybrid Peptide: More Relevance of Weak Interactions.
Venugopalan, Paloth; Kishore, Raghuvansh
2015-08-01
To learn how a preorganized peptide-based molecular template, together with diverse weak non-covalent interactions, leads to an effective self-association, we investigated the conformational characteristics of a simple γ,α-hybrid model peptide, Boc-γ-Abz-Gly-OMe. The single-crystal X-ray diffraction analysis revealed the existence of a fully extended β-strand-like structure stabilized by two non-conventional C-H⋅⋅⋅O=C intramolecular H-bonds. The 2D (1) H NMR ROESY experiment led us to propose that the flat topology of the urethane-γ-Abz-amide moiety is predominantly preserved in a non-polar environment. The self-association of the energetically more favorable antiparallel β-strand-mimic in solid-state engenders an unusual 'flight of stairs' fabricated through face-to-face and edge-to-edge Ar⋅⋅⋅Ar interactions. In conjunction with FT-IR spectroscopic analysis in chloroform, we highlight that conformationally semi-rigid γ-Abz foldamer in appositely designed peptides may encourage unusual β-strand or β-sheet-like self-association and supramolecular organization stabilized via weak attractive forces. PMID:25965414
Exotic modes of excitation and weak interaction rates at finite temperature
Paar, N.
2011-10-28
The interplay of isospin asymmetry and finite temperature in nuclei plays an important role on properties of nuclear excitations and weak interaction rates in stellar environment. Recently a fully self-consistent microscopic framework, based on Hartree-Fock plus random phase approximation using Skyrme functionals, has been introduced for description of excitations and weak-interaction cross sections at finite temperature. Another self-consistent framework involving nuclei at finite temperature has also been developed within relativistic mean field theory using effective Lagrangians with density dependent meson-nucleon vertex functions. Nuclear excitations are studied using finite temperature random phase approximation for the range of temperatures T = 0-2 MeV, as well as in nuclei far from stability. In the focus of research are the structure properties of exotic modes of excitation (e.g. pygmy dipole resonances) and charge-exchange modes (e.g. Gamow-Teller resonances and forbidden transitions). It is shown that finite temperature effects include novel low-energy multipole excitations and modifications of the Gamow-Teller transition spectra. Using a representative set of Skyrme functionals, as well as covariant energy density functional with DD-ME2 parameterization, both theory frameworks have been applied in calculations of electron-capture cross sections relevant in the stage of supernova precollapse.
Formation of semi-dilute adhesion domains driven by weak elasticity-mediated interactions.
Dharan, Nadiv; Farago, Oded
2016-08-21
Cell-cell adhesion is established by specific binding of receptor and ligand proteins anchored in the cell membranes. The adhesion bonds attract each other and often aggregate into large clusters that are central to many biological processes. One possible origin of attractive interactions between adhesion bonds is the elastic response of the membranes to their deformation by the bonds. Here, we analyze these elasticity-mediated interactions using a novel mean-field approach. Our analysis of systems at different densities of bonds, ϕ, reveals that the phase diagram, i.e., the binodal and spinodal lines, exhibit a nearly universal behavior when the temperature T is plotted against the scaled density x = ϕξ(2), where ξ is the linear size of the membrane's region affected by the presence of a single isolated bond. The critical point (ϕc , Tc) is located at very low densities, and slightly below Tc we identify phase coexistence between two low-density phases. Dense adhesion domains are observed only when the height by which the bonds deform the membranes, h0, is much larger than their thermal roughness, Δ, which occurs at very low temperatures T≪Tc. We, thus, conclude that the elasticity-mediated interactions are weak and cannot be regarded as responsible for the formation of dense adhesion domains. The weakness of the elasticity-mediated effect and its relevance to dilute systems only can be attributed to the fact that the membrane's elastic energy saturates in the semi-dilute regime, when the typical spacing between the bonds r≳ξ, i.e., for x≲ 1. Therefore, at higher densities, only the mixing entropy of the bonds (which always favors uniform distributions) is thermodynamically relevant. We discuss the implications of our results for the question of immunological synapse formation, and demonstrate that the elasticity-mediated interactions may be involved in the aggregation of these semi-dilute membrane domains. PMID:27426284
A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding.
Khan, Hanif M; He, Tao; Fuglebakk, Edvin; Grauffel, Cédric; Yang, Boqian; Roberts, Mary F; Gershenson, Anne; Reuter, Nathalie
2016-03-29
Bacillus thuringiensis phosphatidylinositol-specific phospholipase C (BtPI-PLC) is a secreted virulence factor that binds specifically to phosphatidylcholine (PC) bilayers containing negatively charged phospholipids. BtPI-PLC carries a negative net charge and its interfacial binding site has no obvious cluster of basic residues. Continuum electrostatic calculations show that, as expected, nonspecific electrostatic interactions between BtPI-PLC and membranes vary as a function of the fraction of anionic lipids present in the bilayers. Yet they are strikingly weak, with a calculated ΔGel below 1 kcal/mol, largely due to a single lysine (K44). When K44 is mutated to alanine, the equilibrium dissociation constant for small unilamellar vesicles increases more than 50 times (∼2.4 kcal/mol), suggesting that interactions between K44 and lipids are not merely electrostatic. Comparisons of molecular-dynamics simulations performed using different lipid compositions reveal that the bilayer composition does not affect either hydrogen bonds or hydrophobic contacts between the protein interfacial binding site and bilayers. However, the occupancies of cation-π interactions between PC choline headgroups and protein tyrosines vary as a function of PC content. The overall contribution of basic residues to binding affinity is also context dependent and cannot be approximated by a rule-of-thumb value because these residues can contribute to both nonspecific electrostatic and short-range protein-lipid interactions. Additionally, statistics on the distribution of basic amino acids in a data set of membrane-binding domains reveal that weak electrostatics, as observed for BtPI-PLC, might be a less unusual mechanism for peripheral membrane binding than is generally thought. PMID:27028646
NASA Astrophysics Data System (ADS)
Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.
2016-07-01
In adaptive resolution simulations the same system is concurrently modeled with different resolution in different subdomains of the simulation box, thereby enabling an accurate description in a small but relevant region, while the rest is treated with a computationally parsimonious model. In this framework, electrostatic interaction, whose accurate treatment is a crucial aspect in the realistic modeling of soft matter and biological systems, represents a particularly acute problem due to the intrinsic long-range nature of Coulomb potential. In the present work we propose and validate the usage of a short-range modification of Coulomb potential, the Damped shifted force (DSF) model, in the context of the Hamiltonian adaptive resolution simulation (H-AdResS) scheme. This approach, which is here validated on bulk water, ensures a reliable reproduction of the structural and dynamical properties of the liquid, and enables a seamless embedding in the H-AdResS framework. The resulting dual-resolution setup is implemented in the LAMMPS simulation package, and its customized version employed in the present work is made publicly available.
Paliwal, A.; Asthagiri, D.; Abras, D.; Lenhoff, A. M.; Paulaitis, M. E.
2005-01-01
We model the hydration contribution to short-range electrostatic/dispersion protein interactions embodied in the osmotic second virial coefficient, B2, by adopting a quasi-chemical description in which water molecules associated with the protein are identified through explicit molecular dynamics simulations. These water molecules reduce the surface complementarity of highly favorable short-range interactions, and therefore can play an important role in mediating protein-protein interactions. Here we examine this quasi-chemical view of hydration by predicting the interaction part of B2 and comparing our results with those derived from light-scattering measurements of B2 for staphylococcal nuclease, lysozyme, and chymotrypsinogen at 25°C as a function of solution pH and ionic strength. We find that short-range protein interactions are influenced by water molecules strongly associated with a relatively small fraction of the protein surface. However, the effect of these strongly associated water molecules on the surface complementarity of short-range protein interactions is significant, and must be taken into account for an accurate description of B2. We also observe remarkably similar hydration behavior for these proteins despite substantial differences in their three-dimensional structures and spatial charge distributions, suggesting a general characterization of protein hydration. PMID:15980182
NASA Technical Reports Server (NTRS)
Parker, P. D. M.
1981-01-01
Violation of the equivalence principle by the weak interaction is tested. Any variation of the weak interaction coupling constant with gravitational potential, i.e., a spatial variation of the fundamental constants is investigated. The level of sensitivity required for such a measurement is estimated on the basis of the size of a change in the gravitational potential which is accessible. The alpha particle spectrum is analyzed, and the counting rate was improved by a factor of approximately 100.
Mora, Christophe; Castin, Yvan
2009-05-01
We consider the grand potential Omega of a two-dimensional weakly interacting homogeneous Bose gas at zero temperature. Building on a number-conserving Bogoliubov method for a lattice model in the grand canonical ensemble, we calculate the next order term as compared to the Bogoliubov prediction, in a systematic expansion of Omega in powers of the parameter measuring the weakness of the interaction. Our prediction is in very good agreement with recent Monte Carlo calculations. PMID:19518848
Effects of the orbital self-interaction in both strongly and weakly correlated systems.
Tablero, C
2009-02-01
The orbital occupation, which is the centerpiece of both self-interaction and several metal-insulator transition analyses, as well as of the local density or generalized gradient approximation with a Hubbard term, is not well defined, in the sense that it is partially ambiguous. A general treatment can be applied to both strongly and weakly correlated systems. When it is applied to an intermediate- and partially filled band within of the host semiconductor gap whose width is less than the semiconductor gap, the original single band can either split as in a Mott transition or not. The former situation is usual and almost always generalized. However the latter also takes place and results from a dilution effect of the self-interaction where a large orbital correlation is reduced if there are other orbital contributions with lower self-interaction in the band. The key is in the choice of the subspace of correlated orbitals. This effect can neither be ignored nor discarded for those systems where there is a substantial mix of states. Examples of these behaviors will be presented and compared to other results. Moreover, the combination of different Hubbard terms acting on different atomic state subspaces can also be used to correct the spurious self-interaction of the bands and the gap underestimation. The relationship between these terms applied to different subspaces of correlated electrons will be presented. PMID:19206991
Energy level realignment in weakly interacting donor-acceptor binary molecular networks.
Zhong, Jian-Qiang; Qin, Xinming; Zhang, Jia-Lin; Kera, Satoshi; Ueno, Nobuo; Wee, Andrew Thye Shen; Yang, Jinlong; Chen, Wei
2014-02-25
Understanding the effect of intermolecular and molecule-substrate interactions on molecular electronic states is key to revealing the energy level alignment mechanism at organic-organic heterojunctions or organic-inorganic interfaces. In this paper, we investigate the energy level alignment mechanism in weakly interacting donor-acceptor binary molecular superstructures, comprising copper hexadecafluorophthalocyanine (F16CuPc) intermixed with copper phthalocyanine (CuPc), or manganese phthalocynine (MnPc) on graphite. The molecular electronic structures have been systematically studied by in situ ultraviolet photoelectron spectroscopy (UPS) and low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/STS) experiments and corroborated by density functional theory (DFT) calculations. As demonstrated by the UPS and LT-STM/STS measurements, the observed unusual energy level realignment (i.e., a large downward shift in donor HOMO level and a corresponding small upward shift in acceptor HOMO level) in the CuPc-F16CuPc binary superstructures originates from the balance between intermolecular and molecule-substrate interactions. The enhanced intermolecular interactions through the hydrogen bonding between neighboring CuPc and F16CuPc can stabilize the binary superstructures and modify the local molecular electronic states. The obvious molecular energy level shift was explained by gap-state-mediated interfacial charge transfer. PMID:24433044
Accurate prediction of helix interactions and residue contacts in membrane proteins.
Hönigschmid, Peter; Frishman, Dmitrij
2016-04-01
Accurate prediction of intra-molecular interactions from amino acid sequence is an important pre-requisite for obtaining high-quality protein models. Over the recent years, remarkable progress in this area has been achieved through the application of novel co-variation algorithms, which eliminate transitive evolutionary connections between residues. In this work we present a new contact prediction method for α-helical transmembrane proteins, MemConP, in which evolutionary couplings are combined with a machine learning approach. MemConP achieves a substantially improved accuracy (precision: 56.0%, recall: 17.5%, MCC: 0.288) compared to the use of either machine learning or co-evolution methods alone. The method also achieves 91.4% precision, 42.1% recall and a MCC of 0.490 in predicting helix-helix interactions based on predicted contacts. The approach was trained and rigorously benchmarked by cross-validation and independent testing on up-to-date non-redundant datasets of 90 and 30 experimental three dimensional structures, respectively. MemConP is a standalone tool that can be downloaded together with the associated training data from http://webclu.bio.wzw.tum.de/MemConP. PMID:26851352
NASA Astrophysics Data System (ADS)
Tavares, Gustavo Marques
The Standard Model of particle physics describes all known elementary particles and their interactions. Despite its great experimental success, we know that the Standard Model is not a complete description of Nature and therefore new phenomena should be observed at higher energies. In the coming years the Large Hadron Collider will test the Standard Model by colliding protons with center of mass energies of up to 14 TeV providing some of the most stringent tests on the Standard Model. Experimental searches for Dark Matter provide a complementary program to test physics at the weak scale. In the near future new experimental data coming from direct detection experiments, and from satellites and telescopes will drastically improve our sensitivity to weak scale dark matter. This could lead to the first direct observation of dark matter, and thus of physics beyond the Standard Model. In this thesis I propose different extensions of the Standard Model and discuss their experimental consequences. I first discuss models for Axigluons, which are spin one particles in the adjoint representation of the SU(3) color gauge group. These models were motivated by the measurement of higher than predicted forward-backward asymmetry in top quark pair production at the Tevatron. I study different scenarios for Axigluon models that can explain the Tevatron result and explore their signatures at the Large Hadron Collider. Second I discuss the implications of ultraviolet scale invariance for the Standard Model, which has been advocated as a solution to the hierarchy problem. I show that in order to solve the hierarchy problem with scale invariance, new physics is required not far from the weak scale. In the last part of this thesis I propose a new model for dark matter, in which dark matter is charged under a hidden non-Abelian gauge group. This leads to modifications in the sensitivity of the usual experimental searches for dark matter in addition to distinct signatures in the Cosmic
Santolini, Marc; Mora, Thierry; Hakim, Vincent
2014-01-01
The identification of transcription factor binding sites (TFBSs) on genomic DNA is of crucial importance for understanding and predicting regulatory elements in gene networks. TFBS motifs are commonly described by Position Weight Matrices (PWMs), in which each DNA base pair contributes independently to the transcription factor (TF) binding. However, this description ignores correlations between nucleotides at different positions, and is generally inaccurate: analysing fly and mouse in vivo ChIPseq data, we show that in most cases the PWM model fails to reproduce the observed statistics of TFBSs. To overcome this issue, we introduce the pairwise interaction model (PIM), a generalization of the PWM model. The model is based on the principle of maximum entropy and explicitly describes pairwise correlations between nucleotides at different positions, while being otherwise as unconstrained as possible. It is mathematically equivalent to considering a TF-DNA binding energy that depends additively on each nucleotide identity at all positions in the TFBS, like the PWM model, but also additively on pairs of nucleotides. We find that the PIM significantly improves over the PWM model, and even provides an optimal description of TFBS statistics within statistical noise. The PIM generalizes previous approaches to interdependent positions: it accounts for co-variation of two or more base pairs, and predicts secondary motifs, while outperforming multiple-motif models consisting of mixtures of PWMs. We analyse the structure of pairwise interactions between nucleotides, and find that they are sparse and dominantly located between consecutive base pairs in the flanking region of TFBS. Nonetheless, interactions between pairs of non-consecutive nucleotides are found to play a significant role in the obtained accurate description of TFBS statistics. The PIM is computationally tractable, and provides a general framework that should be useful for describing and predicting TFBSs beyond
Sterile neutrino dark matter: Weak interactions in the strong coupling epoch
NASA Astrophysics Data System (ADS)
Venumadhav, Tejaswi; Cyr-Racine, Francis-Yan; Abazajian, Kevork N.; Hirata, Christopher M.
2016-08-01
We perform a detailed study of the weak interactions of standard model neutrinos with the primordial plasma and their effect on the resonant production of sterile neutrino dark matter. Motivated by issues in cosmological structure formation on small scales, and reported x-ray signals that could be due to sterile neutrino decay, we consider 7 keV-scale sterile neutrinos. Oscillation-driven production of such sterile neutrinos occurs at temperatures T ≳100 MeV , where we study two significant effects of weakly charged species in the primordial plasma: (1) the redistribution of an input lepton asymmetry; (2) the opacity for active neutrinos. We calculate the redistribution analytically above and below the quark-hadron transition, and match with lattice QCD calculations through the transition. We estimate opacities due to tree-level processes involving leptons and quarks above the quark-hadron transition, and the most important mesons below the transition. We report final sterile neutrino dark matter phase space densities that are significantly influenced by these effects, and yet relatively robust to remaining uncertainties in the nature of the quark-hadron transition. We also provide transfer functions for cosmological density fluctuations with cutoffs at k ≃10 h Mpc-1 , that are relevant to galactic structure formation.
Emergent 5-Dimensional Black Hole from Weakly Interacting 4-Dimensional Super Yang-Mills Gas
NASA Astrophysics Data System (ADS)
Rey, Soo-Jong
2005-12-01
We demonstrate five-dimensional anti-de Sitter black hole emerges as dual geometry holographic to weakly interacting N = 4 superconformal Yang-Mills theory. We first note that an ideal probe of the dual geometry is the Yang-Mills instanton, probing point by point in spacetime. We then study instanton moduli space at finite temperature by adopting Hitchin's proposal that geometry of the moduli space is definable by Fisher-Rao ``information geometry''. In Yang-Mills theory, the information metric is measured by a novel class of gauge-invariant, nonlocal operators in the instanton sector. We show that the moduli space metric exhibits (1) asymptotically anti-de Sitter, (2) horizon at radial distance set by the Yang-Mills temperature, and (3) after Wick rotation of the moduli space to the Lorentzian signature, a singularity at the origin. We argue that the dual geometry emerges even for rank of gauge groups of order unity and for weak 't Hooft coupling.
3D modeling of ultrasonic wave interaction with disbonds and weak bonds
NASA Astrophysics Data System (ADS)
Leckey, C.; Hinders, M.
2012-05-01
Ultrasonic techniques, such as the use of guided waves, can be ideal for finding damage in the plate and pipe-like structures used in aerospace applications. However, the interaction of waves with real flaw types and geometries can lead to experimental signals that are difficult to interpret. 3-dimensional (3D) elastic wave simulations can be a powerful tool in understanding the complicated wave scattering involved in flaw detection and for optimizing experimental techniques. We have developed and implemented parallel 3D elastodynamic finite integration technique (3D EFIT) code to investigate Lamb wave scattering from realistic flaws. This paper discusses simulation results for an aluminum-aluminum diffusion disbond and an aluminum-epoxy disbond and compares results from the disbond case to the common artificial flaw type of a flat-bottom hole. The paper also discusses the potential for extending the 3D EFIT equations to incorporate physics-based weak bond models for simulating wave scattering from weak adhesive bonds.
3D Modeling of Ultrasonic Wave Interaction with Disbonds and Weak Bonds
NASA Technical Reports Server (NTRS)
Leckey, C.; Hinders, M.
2011-01-01
Ultrasonic techniques, such as the use of guided waves, can be ideal for finding damage in the plate and pipe-like structures used in aerospace applications. However, the interaction of waves with real flaw types and geometries can lead to experimental signals that are difficult to interpret. 3-dimensional (3D) elastic wave simulations can be a powerful tool in understanding the complicated wave scattering involved in flaw detection and for optimizing experimental techniques. We have developed and implemented parallel 3D elastodynamic finite integration technique (3D EFIT) code to investigate Lamb wave scattering from realistic flaws. This paper discusses simulation results for an aluminum-aluminum diffusion disbond and an aluminum-epoxy disbond and compares results from the disbond case to the common artificial flaw type of a flat-bottom hole. The paper also discusses the potential for extending the 3D EFIT equations to incorporate physics-based weak bond models for simulating wave scattering from weak adhesive bonds.
Emergent 5-Dimensional Black Hole from Weakly Interacting 4-Dimensional Super Yang-Mills Gas
Rey, Soo-Jong
2005-12-02
We demonstrate five-dimensional anti-de Sitter black hole emerges as dual geometry holographic to weakly interacting N = 4 superconformal Yang-Mills theory. We first note that an ideal probe of the dual geometry is the Yang-Mills instanton, probing point by point in spacetime. We then study instanton moduli space at finite temperature by adopting Hitchin's proposal that geometry of the moduli space is definable by Fisher-Rao 'information geometry'. In Yang-Mills theory, the information metric is measured by a novel class of gauge-invariant, nonlocal operators in the instanton sector. We show that the moduli space metric exhibits (1) asymptotically anti-de Sitter (2) horizon at radial distance set by the Yang-Mills temperature, and (3) after Wick rotation of the moduli space to the Lorentzian signature, a singularity at the origin. We argue that the dual geometry emerges even for rank of gauge groups of order unity and for weak 't Hooft coupling.
Mapping Ultra-weak Protein-Protein Interactions between Heme Transporters of Staphylococcus aureus
Abe, Ryota; Caaveiro, Jose M. M.; Kozuka-Hata, Hiroko; Oyama, Masaaki; Tsumoto, Kouhei
2012-01-01
Iron is an essential nutrient for the proliferation of Staphylococcus aureus during bacterial infections. The iron-regulated surface determinant (Isd) system of S. aureus transports and metabolizes iron porphyrin (heme) captured from the host organism. Transportation of heme across the thick cell wall of this bacterium requires multiple relay points. The mechanism by which heme is physically transferred between Isd transporters is largely unknown because of the transient nature of the interactions involved. Herein, we show that the IsdC transporter not only passes heme ligand to another class of Isd transporter, as previously known, but can also perform self-transfer reactions. IsdA shows a similar ability. A genetically encoded photoreactive probe was used to survey the regions of IsdC involved in self-dimerization. We propose an updated model that explicitly considers self-transfer reactions to explain heme delivery across the cell wall. An analogous photo-cross-linking strategy was employed to map transient interactions between IsdC and IsdE transporters. These experiments identified a key structural element involved in the rapid and specific transfer of heme from IsdC to IsdE. The resulting structural model was validated with a chimeric version of the homologous transporter IsdA. Overall, our results show that the ultra-weak interactions between Isd transporters are governed by bona fide protein structural motifs. PMID:22427659
Weak localization and electron-electron interactions in indium-doped ZnO nanowires.
Thompson, Richard S; Li, Dongdong; Witte, Christopher M; Lu, Jia G
2009-12-01
Single crystal ZnO nanowires doped with indium are synthesized via the laser-assisted chemical vapor deposition method. The conductivity of the nanowires is measured at low temperatures in magnetic fields with directions both perpendicular and parallel to the wire axes. A quantitative fit of our data is obtained, consistent with the theory of a quasi-one-dimensional metallic system with quantum corrections due to weak localization and electron-electron interactions. The anisotropy of the magneto-conductivity agrees with theory. The two quantum corrections are of approximately equal magnitude with respective temperature dependences of T(-1/3)and T(-1/2). The alternative model of quasi-two-dimensional surface conductivity is excluded by the absence of oscillations in the magneto-conductivity in parallel magnetic fields. PMID:19831413
Weak and Transient Protein Interactions Determined by Solid-State NMR.
Dannatt, Hugh R W; Felletti, Michele; Jehle, Stefan; Wang, Yao; Emsley, Lyndon; Dixon, Nicholas E; Lesage, Anne; Pintacuda, Guido
2016-06-01
Despite their roles in controlling many cellular processes, weak and transient interactions between large structured macromolecules and disordered protein segments cannot currently be characterized at atomic resolution by X-ray crystallography or solution NMR. Solid-state NMR does not suffer from the molecular size limitations affecting solution NMR, and it can be applied to molecules in different aggregation states, including non-crystalline precipitates and sediments. A solid-state NMR approach based on high magnetic fields, fast magic-angle sample spinning, and deuteration provides chemical-shift and relaxation mapping that enabled the characterization of the structure and dynamics of the transient association between two regions in an 80 kDa protein assembly. This led to direct verification of a mechanism of regulation of E. coli DNA metabolism. PMID:27101578
Long, Mingsheng; Gong, Youpin; Wei, Xiangfei; Zhu, Chao; Xu, Jianbao; Liu, Ping; Guo, Yufen; Li, Weiwei; Liu, Liwei; Liu, Guangtong
2014-04-14
We fabricated a vertical structure device, in which graphene is sandwiched between two asymmetric ferromagnetic electrodes. The measurements of electron and spin transport were performed across the combined channels containing the vertical and horizontal components. The presence of electron-electron interaction (EEI) was found not only at low temperatures but also at moderate temperatures up to ∼120 K, and EEI dominates over weak localization (WL) with and without applying magnetic fields perpendicular to the sample plane. Moreover, spin valve effect was observed when magnetic filed is swept at the direction parallel to the sample surface. We attribute the EEI and WL surviving at a relatively high temperature to the effective suppress of phonon scattering in the vertical device structure. The findings open a way for studying quantum correlation at relatively high temperature.
Weakly Interacting Symmetric and Anti-Symmetric States in the Bilayer Systems
NASA Astrophysics Data System (ADS)
Marchewka, M.; Sheregii, E. M.; Tralle, I.; Tomaka, G.; Ploch, D.
We have studied the parallel magneto-transport in DQW-structures of two different potential shapes: quasi-rectangular and quasi-triangular. The quantum beats effect was observed in Shubnikov-de Haas (SdH) oscillations for both types of the DQW structures in perpendicular magnetic filed arrangement. We developed a special scheme for the Landau levels energies calculation by means of which we carried out the necessary simulations of beating effect. In order to obtain the agreement between our experimental data and the results of simulations, we introduced two different quasi-Fermi levels which characterize symmetric and anti-symmetric states in DQWs. The existence of two different quasi Fermi-Levels simply means, that one can treat two sub-systems (charge carriers characterized by symmetric and anti-symmetric wave functions) as weakly interacting and having their own rate of establishing the equilibrium state.
Bertone, G.; Cerdeno, D. G.; Collar, J. I.; Odom, B.
2007-10-12
We study the prospects for detecting weakly interacting massive particles (WIMPs) in a number of phenomenological scenarios, with a detector composed of a target simultaneously sensitive to both spin-dependent and spin-independent couplings, as is the case of COUPP (Chicagoland Observatory for Underground Particle Physics). First, we show that sensitivity to both couplings optimizes chances of initial WIMP detection. Second, we demonstrate that, in case of detection, a comparison of the signal on two complementary targets, such as in COUPP CF{sub 3}I and C{sub 4}F{sub 10} bubble chambers, allows a significantly more precise determination of the dark matter axial and scalar couplings. This strategy would provide crucial information on the nature of the WIMPs and possibly allow discrimination between neutralino and Kaluza-Klein dark matter.
Measurement of the parity nonconserving neutral weak interaction in atomic thallium
Bucksbaum, P.H.
1980-11-01
This thesis describes an experiment to measure parity nonconservation in atomic thallium. A frequency doubled, flashlamp pumped tunable dye laser is used to excite the 6P/sub 1/2/(F = 0) ..-->.. 7P/sub 1/2/(F = 1) transition at 292.7 nm, with circularly polarized light. An electrostatic field E of 100 to 300 V/cm causes this transition to occur via Stark induced electric dipole. Two field free transitions may also occur: a highly forbidden magnetic dipole M, and a parity nonconserving electric dipole epsilon/sub P/. The latter is presumed to be due to the presence of a weak neutral current interaction between the 6p valence electron and the nucleus, as predicted by gauge theories which unite the electromagnetic and weak interactions. Both M and epsilon/sub P/ interfere with the Stark amplitude ..beta..E to produce a polarization of the 7P/sub 1/2/ state. This is measured with a circularly polarized infrared laser beam probe, tuned to the 7P/sub 1/2/ ..-->.. 8S/sub 1/2/ transition. This selectively excites m/sub F/ = +1 or -1 components of the 7P/sub 1/2/ state, and the polarization is seen as an asymmetry in 8S ..-->.. 6P/sub 3/2/ fluorescence when the probe helicity is reversed. The polarization due to M is ..delta../sub M/ = -2M/(BETAE). It is used to calibrate the analyzing efficiency. The polarization due to epsilon/sub P/ is ..delta../sub P/ = 2i epsilon/sub P//(..beta..E), and can be distinguished from ..delta../sub M/ by its properties under reversal of the 292.7 nm photon helicity and reversal of the laser direction. A preliminary measurement yielded a parity violation in agreement with the gauge theory of Weinberg and Salam.
Kottmann, Jakob S; Höfener, Sebastian; Bischoff, Florian A
2015-12-21
In the present work, we report an efficient implementation of configuration interaction singles (CIS) excitation energies and oscillator strengths using the multi-resolution analysis (MRA) framework to address the basis-set convergence of excited state computations. In MRA (ground-state) orbitals, excited states are constructed adaptively guaranteeing an overall precision. Thus not only valence but also, in particular, low-lying Rydberg states can be computed with consistent quality at the basis set limit a priori, or without special treatments, which is demonstrated using a small test set of organic molecules, basis sets, and states. We find that the new implementation of MRA-CIS excitation energy calculations is competitive with conventional LCAO calculations when the basis-set limit of medium-sized molecules is sought, which requires large, diffuse basis sets. This becomes particularly important if accurate calculations of molecular electronic absorption spectra with respect to basis-set incompleteness are required, in which both valence as well as Rydberg excitations can contribute to the molecule's UV/VIS fingerprint. PMID:25913482
Weak interactions between water and clathrate-forming gases at low pressures
Thürmer, Konrad; Yuan, Chunqing; Kimmel, Greg A.; Kay, Bruce D.; Smith, R. Scott
2015-07-17
Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10–1 mbar methane or 10–5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~ 107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10–5 mbar methane does not alter their morphology, suggesting that the presence ofmore » the Pt(111) surface is not a strong driver for hydrate formation. This weak water–gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~ 43 K and isobutane desorbs near ~ 100 K. As a result, similar desorption temperatures were observed for desorption from amorphous solid water.« less
Weak interactions between water and clathrate-forming gases at low pressures
Thurmer, Konrad; Yuan, Chunqing; Kimmel, Gregory A.; Kay, Bruce D.; Smith, R. Scott
2015-11-01
Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10-1 mbar methane or 10-5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10-5 mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water-gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~43 K and isobutane desorbs near ~100 K. Similar desorption temperatures were observed for desorption from amorphous solid water.
NASA Astrophysics Data System (ADS)
Wang, Shi; Ding, Xue-Hua; Li, Yong-Hua; Huang, Wei
2015-07-01
A series of supramolecular salts have been obtained by the self-assembly of 4-fluorobenzylamine and halide ions or metal chloride with 18-crown-6 as the host in the hydrochloric acid medium, i.e. (C7H9FN)+ṡX- (X = Cl-, 1; Br-, 2), [(C7H9FN)2ṡ(18-crown-6)2]2+ṡ(MCl4)2- (M = Mn, 3; Co, 5; Zn, 7; Cd, 8), [(C7H9FN)ṡ(18-crown-6)]+ṡ(FeCl4)- (4) and [(C7H9FN)ṡ(18-crown-6)]+ṡ1/2(CuCl4)2- (6). Structural analyses indicate that 1-2 crystallize in the triclinic space group P-1, 4 in orthorhombic space group Pnma and 3, 5, 6-8 in the monoclinic space group P21/c or C2/c. In these compounds, extensive intermolecular interactions have been utilized for the self-assembly of diverse supramolecular architectures, ranging from strong N-H⋯X (X = O, Cl, Br) hydrogen bonds to weak C-H⋯Y (Y = F, Cl, π) interactions. N-H⋯Cl/Br hydrogen bonds offer the major driving force in the crystal packing of salts 1-2 while N-H⋯O hydrogen bonds are found in salts 3-8.
Weak interactions between water and clathrate-forming gases at low pressures
Thürmer, Konrad; Yuan, Chunqing; Kimmel, Greg A.; Kay, Bruce D.; Smith, R. Scott
2015-07-17
Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10^{–1} mbar methane or 10^{–5} mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~ 10^{7} gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10^{–5} mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water–gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~ 43 K and isobutane desorbs near ~ 100 K. As a result, similar desorption temperatures were observed for desorption from amorphous solid water.
Interaction-driven strong topology on the boundary of a weak topological superconductor
NASA Astrophysics Data System (ADS)
Mendler, Daniel; Kotetes, Panagiotis; Schön, Gerd
We focus on a class of topological superconductors (TSCs) which exhibit a bulk energy gap and support Majorana flat bands (MFBs) on the surface. In contrast to previous proposals relying on strong TSCs with nodal bandstructure, here MFBs are solely protected by a weak topological invariant reflecting a global or local strong anisotropy. In the present case interactions play a dual role, on one hand driving the spontaneous symmetry breaking to an anisotropic superconducting phase and on the other, gapping out the arising MFBs yielding a strong topological phase on the boundary. The prototype system showing this kind of behavior is the nematic pz-superconductor, which supports surface MFBs. While the interactions stabilize the pz-SC phase in the bulk and induce the MFBs, suppressed bulk p-wave pairing terms occur on the surface, thus lifting the MFB-degeneracy. A similar situation can take place if the nematic features are only local, a scenario which is realizable in a heterostructure consisting of a conventional superconductor in proximity to a topological insulator surface with intrinsic magnetic order.
Protein solvent and weak protein protein interactions in halophilic malate dehydrogenase
NASA Astrophysics Data System (ADS)
Ebel, Christine; Faou, Pierre; Zaccai, Giuseppe
1999-01-01
With the aim to correlate the solvation, stability and solubility properties of halophilic malate dehydrogenase, we characterized its weak interparticle interactions by small-angle neutron scattering in various solvents. The protein concentration dependence of the apparent radius of gyration and forward scattered intensity extrapolated from Guinier plots, and thus the second virial coefficient, A2, were determined for each solvent condition. In NaCl 1M+2-methylpentane-2,4-diol 30%, a solvent that promotes protein crystallization, A2 is negative, -0.4×10 -4 ml mol g -2 and indicating attractive interactions; in ammonium sulfate 3M, in which the protein precipitates at high concentrations, A2˜0. In 2-5M NaCl, 1-3.5M NaOAc, 1-4.5M KF or 1-2M (NH 4) 2SO 4, in which the protein is very soluble, A2 is positive with a value of the order of 0.4×10 -4 ml mol g -2 which decreases with increasing salt concentration. In MgCl 2 however, A2 increases with increasing salt concentration from 0.2 to 1.3M.
Weak interactions between water and clathrate-forming gases at low pressures
NASA Astrophysics Data System (ADS)
Thürmer, Konrad; Yuan, Chunqing; Kimmel, Greg A.; Kay, Bruce D.; Scott Smith, R.
2015-11-01
Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10- 1 mbar methane or 10- 5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~ 107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10- 5 mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water-gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~ 43 K and isobutane desorbs near ~ 100 K. Similar desorption temperatures were observed for desorption from amorphous solid water.
Interaction of a weak shock wave with a discontinuous heavy-gas cylinder
NASA Astrophysics Data System (ADS)
Wang, Xiansheng; Yang, Dangguo; Wu, Junqiang; Luo, Xisheng
2015-06-01
The interaction between a cylindrical inhomogeneity and a weak planar shock wave is investigated experimentally and numerically, and special attention is given to the wave patterns and vortex dynamics in this scenario. A soap-film technique is realized to generate a well-controlled discontinuous cylinder (SF6 surrounded by air) with no supports or wires in the shock-tube experiment. The symmetric evolving interfaces and few disturbance waves are observed in a high-speed schlieren photography. Numerical simulations are also carried out for a detailed analysis. The refracted shock wave inside the cylinder is perturbed by the diffracted shock waves and divided into three branches. When these shock branches collide, the shock focusing occurs. A nonlinear model is then proposed to elucidate effects of the wave patterns on the evolution of the cylinder. A distinct vortex pair is gradually developing during the shock-cylinder interaction. The numerical results show that a low pressure region appears at the vortex core. Subsequently, the ambient fluid is entrained into the vortices which are expanding at the same time. Based on the relation between the vortex motion and the circulation, several theoretical models of circulation in the literature are then checked by the experimental and numerical results. Most of these theoretical circulation models provide a reasonably good prediction of the vortex motion in the present configuration.
Interaction of a weak shock wave with a discontinuous heavy-gas cylinder
Wang, Xiansheng; Yang, Dangguo; Wu, Junqiang; Luo, Xisheng
2015-06-15
The interaction between a cylindrical inhomogeneity and a weak planar shock wave is investigated experimentally and numerically, and special attention is given to the wave patterns and vortex dynamics in this scenario. A soap-film technique is realized to generate a well-controlled discontinuous cylinder (SF{sub 6} surrounded by air) with no supports or wires in the shock-tube experiment. The symmetric evolving interfaces and few disturbance waves are observed in a high-speed schlieren photography. Numerical simulations are also carried out for a detailed analysis. The refracted shock wave inside the cylinder is perturbed by the diffracted shock waves and divided into three branches. When these shock branches collide, the shock focusing occurs. A nonlinear model is then proposed to elucidate effects of the wave patterns on the evolution of the cylinder. A distinct vortex pair is gradually developing during the shock-cylinder interaction. The numerical results show that a low pressure region appears at the vortex core. Subsequently, the ambient fluid is entrained into the vortices which are expanding at the same time. Based on the relation between the vortex motion and the circulation, several theoretical models of circulation in the literature are then checked by the experimental and numerical results. Most of these theoretical circulation models provide a reasonably good prediction of the vortex motion in the present configuration.
A Study of Hadronic Weak Interaction - The n3He Experiment at SNS
NASA Astrophysics Data System (ADS)
Kabir, Latiful
2015-10-01
While parity violation (PV) is well-understood at the quark and lepton level, it is much more elusive in hadronic systems, being dominated by several orders of magnitude by the strong interaction. However, studies of PV in hadronic systems offer a unique probe of nucleon structure, complementary to other probes of low-energy non-perturbative QCD. The n3He experiment at the spallation neutron source at ORNL is motivated to probe the Hadronic Weak Interaction (HWI) by measuring the parity violating spin asymmetry of the recoil proton in the reaction n + 3He --> p +T +765 KeV. This is sensitive to ΔI = 0 and 1 components of the HWI, and is expected to be extremely small (of the order of 10-7). The experiment aims to determine this PV asymmetry with the statistical sensitivity of the order of 10-8. The experiment is now in the data taking phase and will continue until the end of the year. I will describe the experiment and give its current status.
Electric dipole moment of 225Ra due to P - and T -violating weak interactions
NASA Astrophysics Data System (ADS)
Singh, Yashpal; Sahoo, B. K.
2015-08-01
Employing advanced methods in the relativistic coupled-cluster framework, the electric dipole moments (EDM) of 225Ra due to parity- and time-reversal-violating tensor-pseudotensor (T-PT) and nuclear Schiff moment (NSM) interactions are obtained as dA=-10.01 ×10-20CT<σn> |e | cm and dA=-6.79 ×10-17S (|e | fm3)-1|e | cm, respectively, with CT being the T-PT coupling constant and S being NSM. These values for the corresponding T-PT and NSM interactions are reduced by about 45% and 23%, respectively, compared to the previous calculations. The validity of our calculations is proved by comparing our results with the earlier studies using the zeroth-order Dirac-Fock method and all-order random-phase approximation. The first measurement of 225Ra EDM was reported recently [R. H. Parker et al., Phys. Rev. Lett. 114, 233002 (2015), 10.1103/PhysRevLett.114.233002], and in that study the authors also anticipate obtaining the result with an improvement in systematics and the statistical sensitivity of the experiment, which could possibly lead to the best limit for an atomic EDM. Thus, it offers considerable hope to extract more accurate limits for the electron-quark T-PT interaction and the θQ C D parameter in particle physics in the future.
Tissue resonance interaction accurately detects colon lesions: A double-blind pilot study
Dore, Maria P; Tufano, Marcello O; Pes, Giovanni M; Cuccu, Marianna; Farina, Valentina; Manca, Alessandra; Graham, David Y
2015-01-01
AIM: To investigated the performance of the tissue resonance interaction method (TRIM) for the non-invasive detection of colon lesions. METHODS: We performed a prospective single-center blinded pilot study of consecutive adults undergoing colonoscopy at the University Hospital in Sassari, Italy. Before patients underwent colonoscopy, they were examined by the TRIMprobe which detects differences in electromagnetic properties between pathological and normal tissues. All patients had completed the polyethylene glycol-containing bowel prep for the colonoscopy procedure before being screened. During the procedure the subjects remained fully dressed. A hand-held probe was moved over the abdomen and variations in electromagnetic signals were recorded for 3 spectral lines (462-465 MHz, 930 MHz, and 1395 MHz). A single investigator, blind to any clinical information, performed the test using the TRIMprob system. Abnormal signals were identified and recorded as malignant or benign (adenoma or hyperplastic polyps). Findings were compared with those from colonoscopy with histologic confirmation. Statistical analysis was performed by χ2 test. RESULTS: A total of 305 consecutive patients fulfilling the inclusion criteria were enrolled over a period of 12 months. The most frequent indication for colonoscopy was abdominal pain (33%). The TRIMprob was well accepted by all patients; none spontaneously complained about the procedure, and no adverse effects were observed. TRIM proved inaccurate for polyp detection in patients with inflammatory bowel disease (IBD) and they were excluded leaving 281 subjects (mean age 59 ± 13 years; 107 males). The TRIM detected and accurately characterized all 12 adenocarcinomas and 135/137 polyps (98.5%) including 64 adenomatous (100%) found. The method identified cancers and polyps with 98.7% sensitivity, 96.2% specificity, and 97.5% diagnostic accuracy, compared to colonoscopy and histology analyses. The positive predictive value was 96.7% and the
Weakly-interacting massive particles in non-supersymmetric SO(10) grand unified models
NASA Astrophysics Data System (ADS)
Nagata, Natsumi; Olive, Keith A.; Zheng, Jiaming
2015-10-01
Non-supersymmetric SO(10) grand unified theories provide a framework in which the stability of dark matter is explained while gauge coupling unification is realized. In this work, we systematically study this possibility by classifying weakly interacting dark matter candidates in terms of their quantum numbers of SU(2) L ⊗ U(1) Y , B - L, and SU(2) R . We consider both scalar and fermion candidates. We show that the requirement of a sufficiently high unification scale to ensure a proton lifetime compatible with experimental constraints plays a strong role in selecting viable candidates. Among the scalar candidates originating from either a 16 or 144 of SO(10), only SU(2) L singlets with zero hypercharge or doublets with Y = 1 /2 satisfy all constraints for SU(4) C ⊗ SU(2) L ⊗ SU(2) R and SU(3) C ⊗ SU(2) L ⊗ SU(2) R ⊗ U(1) B- L intermediate scale gauge groups. Among fermion triplets with zero hypercharge, only a triplet in the 45 with intermediate group SU(4) C ⊗ SU(2) L ⊗ SU(2) R leads to solutions with M GUT > M int and a long proton lifetime. We find three models with weak doublets and Y = 1 /2 as dark matter candidates for the SU(4) C ⊗ SU(2) L ⊗ SU(2) R and SU(4) C ⊗ SU(2) L ⊗ U(1) R intermediate scale gauge groups assuming a minimal Higgs content. We also discuss how these models may be tested at accelerators and in dark matter detection experiments.
Search for weakly interacting massive particles with the Cryogenic Dark Matter Search experiment
NASA Astrophysics Data System (ADS)
Saab, Tarek
From individual galaxies, to clusters of galaxies, to in between the cushions of your sofa, Dark Matter appears to be pervasive on every scale. With increasing accuracy, recent astrophysical measurements, from a variety of experiments, are arriving at the following cosmological model: a flat cosmology (Ωk = 0) with matter and energy densities contributing roughly 1/3 and 2/3 (Ωm = 0.35, ΩΛ = 0.65). Of the matter contribution, it appears that only ≈10% (Ωb ≈ 0.04) is attributable to baryons. Astrophysical measurements constrain the remaining matter to be non-realtivistic, interacting primarily gravitationally. Various theoretical models for such Dark Matter exist. A leading candidate for the non-baryonic matter are Weakly Interacting Massive Particles (dubbed WIMPS). These particles, and their relic density may be naturally explained within the framework of Super-Symmetry theories. Super-Symmetry also offers predictions as to the scattering rates of WIMPS with baryonic matter allowing for the design and tailoring of experiments that search specifically for the WIMPs. The Cryogenic Dark Matter Search experiment is searching for evidence of WIMP interactions in crystals of Ge and Si. Using cryogenic detector technology to measure both the phonon and ionization response to a particle recoil the CDMS detectors are able to discriminate between electron and nuclear recoils, thus reducing the large rates of electron recoil backgrounds to levels with which a Dark Matter search is not only feasible, but far-reaching. This thesis will describe in some detail the physical principles behind the CDMS detector technology, highlighting the final step in the evolution of the detector design and characterization techniques. In addition, data from a 100 day long exposure of the current run at the Stanford Underground Facility will be presented, with focus given to detector performance as well as to the implications on allowable WIMP mass-cross- section parameter space.
Magnetic interactions, weak ferromagnetism, and field-induced transitions in Nd2NiO4
NASA Astrophysics Data System (ADS)
Batlle, X.; Obradors, X.; Martnez, B.
1992-02-01
The magnetic properties of stoichiometric Nd2NiO4 have been investigated by means of dc- and ac-magnetic-susceptibility and isothermal-magnetization measurements. Five different magnetic phase transitions have been identified and characterized. A collinear antiferromagnetic ordering of Ni2+ magnetic moments exists between TN1~=320 K and Tc1~=130 K (gx mode) where an orthorhombic-to-tetragonal (Bmab to P42/ncm) structural phase transition occurs. In this temperature range, the Nd3+ ions behave as a paramagnet being polarized by the effect of an internal magnetic field associated with the Ni-Nd antiferromagnetic superexchange interaction. A weak ferromagnetic component appears below 130 K, which is consistent with the gxcyfz and gx+cyfz magnetic modes for Ni2+ proposed from a neutron-powder-diffraction experiment. An additional out-of-plane component of the internal magnetic field on the Nd3+ ions develops with this structural phase transition and strongly polarizes these ions. Two additional transitions are observed at Tc2~=68 K (very prominent) and Tc3~=45 K (very smooth), which are characterized by a sudden increase in the internal magnetic field acting on the Nd ions. This internal magnetic field is evaluated and an antiparallel ordering between the Ni and Nd weak ferromagnetic spin components is inferred. A field-induced transition has been identified. A peak on both the differential susceptibility and the real part of the ac susceptibility at TN2~=11 K marks a long-range antiferromagnetic ordering of the Nd3+ ions. The out-of-plane component of the Ni2+ magnetic moments is attributed to the antisymmetric interaction DNi-Ni, which turns out to be quite important (DNi-Ni~=-16.0 meV) as compared to La2NiO4 and La2CuO4, probably because of a greater tilting angle of the octahedra. Finally, the magnetocrystalline anisotropy associated with Nd ions is found to be high below 20 K.
Li, Zheng-Wei; You, Zhu-Hong; Chen, Xing; Gui, Jie; Nie, Ru
2016-01-01
Protein-protein interactions (PPIs) occur at almost all levels of cell functions and play crucial roles in various cellular processes. Thus, identification of PPIs is critical for deciphering the molecular mechanisms and further providing insight into biological processes. Although a variety of high-throughput experimental techniques have been developed to identify PPIs, existing PPI pairs by experimental approaches only cover a small fraction of the whole PPI networks, and further, those approaches hold inherent disadvantages, such as being time-consuming, expensive, and having high false positive rate. Therefore, it is urgent and imperative to develop automatic in silico approaches to predict PPIs efficiently and accurately. In this article, we propose a novel mixture of physicochemical and evolutionary-based feature extraction method for predicting PPIs using our newly developed discriminative vector machine (DVM) classifier. The improvements of the proposed method mainly consist in introducing an effective feature extraction method that can capture discriminative features from the evolutionary-based information and physicochemical characteristics, and then a powerful and robust DVM classifier is employed. To the best of our knowledge, it is the first time that DVM model is applied to the field of bioinformatics. When applying the proposed method to the Yeast and Helicobacter pylori (H. pylori) datasets, we obtain excellent prediction accuracies of 94.35% and 90.61%, respectively. The computational results indicate that our method is effective and robust for predicting PPIs, and can be taken as a useful supplementary tool to the traditional experimental methods for future proteomics research. PMID:27571061
A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction
NASA Technical Reports Server (NTRS)
Bockelie, Michael J.; Eiseman, Peter R.
1990-01-01
A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.
NASA Astrophysics Data System (ADS)
Zhan, Shuyue; Shi, Chunfei; Ou, Huichao; Song, Hong; Wang, Xiaoping
2016-03-01
Surface plasmon resonance (SPR) biosensing technology will likely become a type of label-free technology for transient and weak biomolecular interaction analysis (BIA); however, it needs some improvement with regard to high-speed and high-resolution measurement. We studied a type of real-time de-noising (RD) data processing method for SPR sensorgrams based on moving average; it can immediately distinguish ultra-weak signals during the process of experiment, and can display a low-noise sensorgram in real time. A flow injection analysis experiment and a CM5 sensorchip affinity experiment are designed to evaluate the characteristics of the RD method. High noise suppression ability and low signal distortion risks of the RD method have been proved. The RD method does not significantly distort signals of the sensorgram in the molecular affinity experiment, and K D values of the RD method essentially coincide with those of the raw sensorgram with a higher signal-to-noise ratio (SNR). Meanwhile, by the RD method denoising the sensorgram with an ultralow SNR that is closer to the condition of the transient and weak molecular interactions, the kinetic constant can be more accurately analyzed, whereas it cannot be realized for the raw sensorgram. The crucial function and significance of the RD method are primarily embodied in the measurement limit of SPR sensing.
Detectability of weakly interacting massive particles in the Sagittarius dwarf tidal stream
Freese, Katherine; Gondolo, Paolo; Newberg, Heidi Jo
2005-02-15
Tidal streams of the Sagittarius dwarf spheroidal galaxy (Sgr) may be showering dark matter onto the solar system and contributing {approx}(0.3-23)% of the local density of our galactic halo. If the Sagittarius galaxy contains dark matter in the form of weakly interacting massive particles (WIMPs), the extra contribution from the stream gives rise to a steplike feature in the energy recoil spectrum in direct dark matter detection. For our best estimate of stream velocity (300 km/s) and direction (the plane containing the Sgr dwarf and its debris), the count rate is maximum on June 28 and minimum on December 27 (for most recoil energies), and the location of the step oscillates yearly with a phase opposite to that of the count rate. In the CDMS experiment, for 60 GeV WIMPs, the location of the step oscillates between 35 and 42 keV, and for the most favorable stream density, the stream should be detectable at the 11{sigma} level in four years of data with 10 keV energy bins. Planned large detectors like XENON, CryoArray, and the directional detector DRIFT may also be able to identify the Sgr stream.
Rongere, P.; Morel-Desrosiers, N.; Morel, J.P. )
1994-03-01
The thermodynamic characterization of the weakly complexed model system Sm[sup 3+]-xylitol has been carried out. The standard Gibbs energy, enthalpy, entropy, volume and heat capacity of complexation of Sm[sup 3+] by xylitol have been determined in water at 25[degrees]. The stability constant and the enthalpy change have been simultaneously determined by using a calorimetric method. The thermodynamic properties characterizing solely the specific interaction between the cation and the complexing sequence of hydroxyl groups of the ligand have been isolated. The stability constant and the volume of complexation have also been estimated from a similar treatment of the apparent molar volumes. It was found that the reaction by: K = 8.1, [Delta][sub r]G[sup o] = -5.2 kJ-mol[sup [minus]1], [Delta][sub r]H[sup o] = -13.7 kJ-mol[sup [minus]1], T[Delta][sub r]S[sup o] = -8.5 kJ-mol[sup [minus]1], [Delta][sub r]V[sup o] = 8.8 cm[sup 3]-mol[sup [minus]1] and [Delta][sub r]C[sup o[sub p
Lorentz structure of weak current in ν interactions and inverse muon decay
NASA Astrophysics Data System (ADS)
Mishra, Sanjib R.
1991-04-01
Neutrino interactions uniquely convey the Lorentz structure of weak current. Two studies that probe this structure are reviewed: structure functions from νμ -and ν μ - induced charged current events; and the inverse muon decay process, νμ+e -→ μ-+ νe. In the first study, the relative absence of νμ-induced charged current events with respect to νμ-induced events at large z (> 0.45) and large y (> 0.70) (investigated by CDHS and CCFR) restricts |η| 2 = |g R/g L| 2 < 0.0015 with 90 % CL (CCFR). Within the framework of left-right symmetric models, this measurement imposes a limit upon the mixing angle of the left and right handed bosons. Unlike the limits imposed by the μ-decay and the nuclear β-decay experiments, the present limit is valid irrespective of the mass of the right handed neutrino. In the second study, recent high statistics measurements of inverse muon decay by CCFR and CHARM II yield a total cross section, σ( νμ+e -→ μ-+ νe) = (17.3±0.72(stat)±0.39(syst)]E ν10 -42 cm 2/GeV. This restricts the scalar coupling of the muon | gLLS| < 0.25 with 90% CL.
Numerical simulation of fluid-structure interaction for axial flow blade based on weak coupling
NASA Astrophysics Data System (ADS)
Zheng, X. B.; Guo, P. C.; Luo, X. Q.
2012-11-01
Numerical simulation of three-dimensional flow in whole flow passage of axial flow hydraulic turbine was conducted based on the Reynolds-averaged N-S equations and the standard k-ε model. Stress analysis of axial flow blade were carried on by elasticity unsteady FEM. The fluid domain and solid domain were calculated by sequential iteration. Based on weak coupling technology, the fluid-structure interaction analysis of the axial flow blade was conducted. Instantaneous flow field characteristic and stress distribution on blade were analyzed. According to the comparing with the results of pure flow numerical simulation, the pressure difference between press side and suction side increases after considering the FSI, to a certain extent, which will worsen cavitations performance of the blade. Meanwhile, stress distribution on the blades do not change significantly, but the maximum stress value increases markedly, and the maximum displacement reduces slightly. The research demonstrates that the FSI not only changes the distribution of the flow field in blade area, but also have a greater impact on the stress of the blades.
Shear bands at the Jamming Transition: The role of Weak Attractive Interactions
NASA Astrophysics Data System (ADS)
Irani, Ehsan; Chaudhuri, Pinaki; Heussinger, Claus
2015-03-01
We study the rheology of a particulate sytem close to jamming in the presence of weakly attractive interactions. Lees-Edwards boundary conditions are used to simulate a shear-controlled flow. In addition to Bagnold scaling at large shear rates, the attraction results in a finite yield stress in the limit of small shear rates. In the yield regime a fragile solid is formed and the rheology can be explained by a scaling argument that exploits the vicinity to the isostatic state. In the transition region the shear stress develops a minimum, which (in large enough systems) leads to the formation of persistent shear bands. These features are rationalized by a scenario that involves the competition between attraction-induced structure formation and its break-down because of shearing. Properties of shear bands are studied in order to reveal the physical mechanisms that underly the non-monotonic flow curve and the flow heterogenities in the transition region. This work may help to elucidate the origin of shear bands in different materials with finite and short-ranged attractive forces.
Akerib, D. S.
2016-04-20
Here, we present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4 × 104 kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signalmore » only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c–2, these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c–2 WIMP mass.« less
NASA Astrophysics Data System (ADS)
Akerib, D. S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Bradley, A.; Bramante, R.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chapman, J. J.; Chiller, A. A.; Chiller, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; de Viveiros, L.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gibson, K. R.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Ihm, M.; Jacobsen, R. G.; Ji, W.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Malling, D. C.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Ott, R. A.; Palladino, K. J.; Pangilinan, M.; Pease, E. K.; Phelps, P.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solovov, V. N.; Sorensen, P.; Stephenson, S.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration
2016-04-01
We present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4 ×104 kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signal only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c-2 , these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c-2 WIMP mass.
Akerib, D S; Araújo, H M; Bai, X; Bailey, A J; Balajthy, J; Beltrame, P; Bernard, E P; Bernstein, A; Biesiadzinski, T P; Boulton, E M; Bradley, A; Bramante, R; Cahn, S B; Carmona-Benitez, M C; Chan, C; Chapman, J J; Chiller, A A; Chiller, C; Currie, A; Cutter, J E; Davison, T J R; de Viveiros, L; Dobi, A; Dobson, J E Y; Druszkiewicz, E; Edwards, B N; Faham, C H; Fiorucci, S; Gaitskell, R J; Gehman, V M; Ghag, C; Gibson, K R; Gilchriese, M G D; Hall, C R; Hanhardt, M; Haselschwardt, S J; Hertel, S A; Hogan, D P; Horn, M; Huang, D Q; Ignarra, C M; Ihm, M; Jacobsen, R G; Ji, W; Kazkaz, K; Khaitan, D; Knoche, R; Larsen, N A; Lee, C; Lenardo, B G; Lesko, K T; Lindote, A; Lopes, M I; Malling, D C; Manalaysay, A; Mannino, R L; Marzioni, M F; McKinsey, D N; Mei, D-M; Mock, J; Moongweluwan, M; Morad, J A; Murphy, A St J; Nehrkorn, C; Nelson, H N; Neves, F; O'Sullivan, K; Oliver-Mallory, K C; Ott, R A; Palladino, K J; Pangilinan, M; Pease, E K; Phelps, P; Reichhart, L; Rhyne, C; Shaw, S; Shutt, T A; Silva, C; Solovov, V N; Sorensen, P; Stephenson, S; Sumner, T J; Szydagis, M; Taylor, D J; Taylor, W; Tennyson, B P; Terman, P A; Tiedt, D R; To, W H; Tripathi, M; Tvrznikova, L; Uvarov, S; Verbus, J R; Webb, R C; White, J T; Whitis, T J; Witherell, M S; Wolfs, F L H; Yazdani, K; Young, S K; Zhang, C
2016-04-22
We present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4×10^{4} kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signal only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c^{-2}, these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c^{-2} WIMP mass. PMID:27152785
Introduction to gauge theories of the strong, weak, and electromagnetic interactions
Quigg, C.
1980-07-01
The plan of these notes is as follows. Chapter 1 is devoted to a brief evocative review of current beliefs and prejudices that form the context for the discussion to follow. The idea of Gauge Invariance is introduced in Chapter 2, and the connection between conservation laws and symmetries of the Lagrangian is recalled. Non-Abelian gauge field theories are constructed in Chapter 3, by analogy with the familiar case of electromagnetism. The Yang-Mills theory based upon isospin symmetry is constructed explicitly, and the generalization is made to other gauge groups. Chapter 4 is concerned with spontaneous symmetry breaking and the phenomena that occur in the presence or absence of local gauge symmetries. The existence of massless scalar fields (Goldstone particles) and their metamorphosis by means of the Higgs mechanism are illustrated by simple examples. The Weinberg-Salam model is presented in Chapter 5, and a brief resume of applications to experiment is given. Quantum Chromodynamics, the gauge theory of colored quarks and gluons, is developed in Chapter 6. Asymptotic freedom is derived schematically, and a few simple applications of perturbative QCD ae exhibited. Details of the conjectured confinement mechanism are omitted. The strategy of grand unified theories of the strong, weak, and electromagnetic interactions is laid out in Chapter 7. Some properties and consequences of the minimal unifying group SU(5) are presented, and the gauge hierarchy problem is introduced in passing. The final chapter contains an essay on the current outlook: aspirations, unanswered questions, and bold scenarios.
Weak protein interactions and pH- and temperature-dependent aggregation of human Fc1
Wu, Haixia; Truncali, Kristopher; Ritchie, Julie; Kroe-Barrett, Rachel; Singh, Sanjaya; Robinson, Anne S; Roberts, Christopher J
2015-01-01
The Fc (fragment crystallizable) is a common structural region in immunoglobulin gamma (IgG) proteins, IgG-based multi-specific platforms, and Fc-fusion platform technologies. Changes in conformational stability, protein-protein interactions, and aggregation of NS0-produced human Fc1 were quantified experimentally as a function of pH (4 to 6) and temperature (30 to 77°C), using a combination of differential scanning calorimetry, laser light scattering, size-exclusion chromatography, and capillary electrophoresis. The Fc1 was O-glycosylated at position 3 (threonine), and confirmed to correspond to the intact IgG1 by comparison with Fc1 produced by cleavage of the parent IgG1. Changing the pH caused large effects for thermal unfolding transitions, but it caused surprisingly smaller effects for electrostatic protein-protein interactions. The aggregation behavior was qualitatively similar across different solution conditions, with soluble dimers and larger oligomers formed in most cases. Aggregation rates spanned approximately 5 orders of magnitude and could be divided into 2 regimes: (i) Arrhenius, unfolding-limited aggregation at temperatures near or above the midpoint-unfolding temperature of the CH2 domain; (ii) a non-Arrhenius regime at lower temperatures, presumably as a result of the temperature dependence of the unfolding enthalpy for the CH2 domain. The non-Arrhenius regime was most pronounced for lower temperatures. Together with the weak protein-protein repulsions, these highlight challenges that are expected for maintaining long-term stability of biotechnology products that are based on human Fc constructs. PMID:26267255
Mitrev, Y; Simova, S; Jeannerat, D
2016-04-01
Weak molecular interactions can be localized and quantified using a single NMR experiment analysing concentration gradients generated in agar gels. The spectra from various cross-sections along the gradient were obtained using a slice-selective pulse sequence realisable with standard NMR equipment. PMID:27009847
Metal-metal interactions in weakly coupled mixed-valence E- and Z-diferrocenylethylene complexes.
Chen, Y J; Pan, D S; Chiu, C F; Su, J X; Lin, S J; Kwan, K S
2000-03-01
To study metal-to-metal interactions in mixed-valence states of two weakly coupling ferrocenyl groups assembled in E or Z conformation on an ethylenic double bond, E-1,2-dimethyldiferrocenylethylene (1), Z-1,2-dimethyldi-ferrocenylethylene (2), and 1,2-diferrocenylcyclohexene (3) were synthesized and structurally characterized. Crystals of 1 are triclinic, P1, with a = 7.494(9) A, b = 10.801(3) A, c = 11.971(2) A, alpha = 102.17(2) degrees, beta = 106.12(9) degrees, gamma = 90.42(2) degrees, V = 907.8 A3, and Z = 2. Crystals of 2 are monoclinic, P2(1)/c, with a = 13.601(8) A, b = 11.104(4) A, c = 13.732(1) A, beta = 114.26(7) degrees, V = 1890.8(3) A3, and Z = 4. Crystals of 3 are orthorhombic, P2(1)2(1)2(1), with a = 5.766(2) A, b = 13.090(1) A, c = 26.695(2) A, V = 2014.9(3) A3, and Z = 4. Intervalence transition spectra (IT) and electrochemical data have been determined and compared with those of diferrocenyl-benzene (para, ortho, and meta). The comproportionation constants in nitrobenzene at 25 degrees C were found to be 490 and 813 for 1 and 3, respectively. That of 2 was not measured because of the fact that 2+ isomerizes rapidly in all solvents tested, yielding nearly a racemic mixture of E and Z conformers. This finding helps to clear the paradoxical phenomenon between experimental results of mixed-valence complexes of E- and Z-1,2-bis(1'-ethyl-1-ferrocenyl)-1,2-dimethylethylene and theories. The stability of the mixed-valence species was discussed in terms of resonance delocalization, Coulomb repulsion energy, inductive effect, magnetic interaction, structural factors, and statistical factor. According to our analysis based on the Hush formalism, the contribution due to Coulomb repulsion energy dominates the overall stability of the mixed-valence state in 1+, 2+, and 3+. Stabilization that arises from resonance delocalization is only minor and contributes less than 4% to the overall stability, even in 3+ where linked Cp rings and the ethylenic plane are
Static weak dipole moments of the τ lepton via renormalizable scalar leptoquark interactions
NASA Astrophysics Data System (ADS)
Bolaños, A.; Moyotl, A.; Tavares-Velasco, G.
2014-03-01
The weak dipole moments of elementary fermions are calculated at the one-loop level in the framework of a renormalizable scalar leptoquark model that forbids baryon number violating processes and so is free from the strong constraints arising from experimental data. In this model there are two scalar leptoquarks accommodated in a SUL(2)×UY(1) doublet: One of these leptoquarks is nonchiral and has electric charge of 5/3e, whereas the other one is chiral and has electric charge 2/3e. In particular, a nonchiral leptoquark contributes to the weak properties of an up fermion via a chirality-flipping term proportional to the mass of the virtual fermion, and can also induce a nonzero weak electric dipole moment provided that the leptoquark couplings are complex. The numerical analysis is focused on the weak properties of the τ lepton since they offer good prospects for experimental study. The constraints on leptoquark couplings are briefly discussed for a nonchiral leptoquark with nondiagonal couplings to the second and third fermion generations, a third-generation nonchiral leptoquark, and a third-generation chiral leptoquark. It is found that although the chirality-flipping term can enhance the weak properties of the τ lepton via the top quark contribution, such an enhancement would be offset by the strong constraints on the leptoquark couplings. So, the contribution of scalar leptoquarks to the weak magnetic dipole moment of the τ lepton are smaller than the standard model (SM) contributions but can be of similar size to those arising in some SM extensions. A nonchiral leptoquark can also give contributions to the weak electric dipole moment larger than the SM one but well below the experimental limit. We also discuss the case of the off-shell weak dipole moments and, for completeness, analyze the behavior of the τ electromagnetic properties.
Xu, T.F.; Guo, X.M.; Jing, X.L.; Wu, W.C.; Liu, C.S.
2011-04-15
We study the gap solitons and nonlinear Bloch waves of interacting bosons in one-dimensional optical lattices, taking into account the interaction from the weak to the strong limits. It is shown that composition relation between the gap solitons and nonlinear Bloch waves exists for the whole span of the interaction strength. The linear stability analysis indicates that the gap solitons are stable when their energies are near the bottom of the linear Bloch band gap. By increasing the interaction strength, the stable gap solitons can become unstable. It is argued that the stable gap solitons can easily be formed in a weakly interacting system with energies near the bottom of the lower-level linear Bloch band gaps.
NASA Technical Reports Server (NTRS)
Kory, Carol L.
1999-01-01
The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made
NASA Astrophysics Data System (ADS)
Stwalley, W. C.; Verma, K. K.; Rajaei-Rizi, A.; Bahns, J. T.; Harding, D. R.
This paper illustrates (using the molecules LiH, Li2 and Na2) how laser-induced fluorescence can be used to greatly expand the range of observed vibrational levels in ground electronic states. This expanded vibrational range leads to the determination of virtually the full well of the potential energy curve. This also leads to improved determination of the dissociation limit and serves as a severe test for highly accurate ab initio calculations now available for many small molecules.
NASA Technical Reports Server (NTRS)
Stwalley, W. C.; Verma, K. K.; Rajaei-Rizi, A.; Bahns, J. T.; Harding, D. R.
1982-01-01
This paper illustrates (using the molecules LiH, Li2 and Na2) how laser-induced fluorescence can be used to greatly expand the range of observed vibrational levels in ground electronic states. This expanded vibrational range leads to the determination of virtually the full well of the potential energy curve. This also leads to improved determination of the dissociation limit and serves as a severe test for highly accurate ab initio calculations now available for many small molecules.
NASA Astrophysics Data System (ADS)
Brass, David Alan
The measurement of weak adhesive energies has previously been difficult to obtain. To measure these energies, I designed a technique that uses the combined sensitivities of both a quartz crystal resonator and the inflation of an elastomeric polymer membrane. The surfaces of the quartz crystal and/or the membrane are modified with water swollen polymer brushes, which are used to eliminate nonspecific adhesion. These brushes are then end-modified with adhesive functional groups. An analysis is developed for the frequency response of a quartz crystal resonator as the membrane layer is placed in contact with the surface of these swollen brushes. The shear wave generated at the resonator surface couples into the membrane layer with an efficiency that is strongly dependent on the thickness of the swollen brush layer. The calculated shift decreases substantially for increases in the brush thickness of ten to twenty nanometers, giving a net frequency response that is extremely sensitive to the degree of swelling of the brush. An optimum capping layer thickness is determined by balancing the resonant frequency shift against dissipative effects that weaken the crystal resonance. Detailed calculations are presented for the specific case of poly(ethylene glycol) (PEG) brushes swollen by water and capped by a poly(styrene-ethylene/butene-styrene) (SEBS) elastomeric, water-permeable membrane. These calculations show that the method is sensitive to the properties of the brush layer. This surface acoustic wave technique was coupled with an inflation method that enabled quantification of the adhesion between the membrane and the brush coated surface. This adhesive interaction is obtained from the contact angle made between the quartz and membrane surfaces and the tension on the membrane. An analysis of the membrane profile based on the numerical solution of the axisymmetric Laplace equation is developed and used to investigate both adhesive and non-adhesive situations with both an
Buratto, Roberto; Mammoli, Daniele; Chiarparin, Elisabetta; Williams, Glyn; Bodenhausen, Geoffrey
2014-01-01
Ligands that have an affinity for protein targets can be screened very effectively by exploiting favorable properties of long-lived states (LLS) in NMR spectroscopy. In this work, we describe the use of LLS for competitive binding experiments to measure accurate dissociation constants of fragments that bind weakly to the ATP binding site of the N-terminal ATPase domain of heat shock protein 90 (Hsp90), a therapeutic target for cancer treatment. The LLS approach allows one to characterize ligands with an exceptionally wide range of affinities, since it can be used for ligand concentrations [L] that are several orders of magnitude smaller than the dissociation constants KD. This property makes the LLS method particularly attractive for the initial steps of fragment-based drug screening, where small molecular fragments that bind weakly to a target protein must be identified, which is a difficult task for many other biophysical methods. PMID:25196717
Siler, C G F; Madix, R J; Friend, C M
2016-07-01
A major challenge in heterogeneous catalysis is controlling reaction selectivity, especially in complex environments. When more than one species is present in the gas mixture, the competition for binding sites on the surface of a catalyst is an important factor in determining reaction selectivity and activity. We establish an experimental hierarchy for the binding of a series of reaction intermediates on Au(111) and demonstrate that this hierarchy accounts for reaction selectivity on both the single crystal surface and under operating catalytic conditions at atmospheric pressure using a nanoporous Au catalyst. A partial set of measurements of relative binding has been measured by others on other catalyst materials, including Ag, Pd and metal oxide surfaces; a comparison demonstrates the generality of this concept and identifies differences in the trends. Theoretical calculations for a subset of reactants on Au(111) show that weak van der Waals interactions are key to predicting the hierarchy of binding strengths for alkoxides bound to Au(111). This hierarchy is key to the control of the selectivity for partial oxidation of alcohols to esters on both Au surfaces and under working catalytic conditions using nanoporous gold. The selectivity depends on the competition for active sites among key intermediates. New results probing the effect of fluorine substitution are also presented to extend the relation of reaction selectivity to the hierarchy of binding. Motivated by an interest in synthetic manipulation of fluorinated organics, we specifically investigated the influence of the -CF3 group on alcohol reactivity and selectivity. 2,2,2-Trifluoroethanol couples on O-covered Au(111) to yield CF3CH2O-C([double bond, length as m-dash]O)(CF3), but in the presence of methanol or ethanol it preferentially forms the respective 2,2,2-trifluoroethoxy-esters. The ester is not the dominant product in any of these cases, though, indicating that the rate of β-H elimination from
Accurate formula for dissipative interaction in frequency modulation atomic force microscopy
Suzuki, Kazuhiro; Matsushige, Kazumi; Yamada, Hirofumi; Kobayashi, Kei; Labuda, Aleksander
2014-12-08
Much interest has recently focused on the viscosity of nano-confined liquids. Frequency modulation atomic force microscopy (FM-AFM) is a powerful technique that can detect variations in the conservative and dissipative forces between a nanometer-scale tip and a sample surface. We now present an accurate formula to convert the dissipation power of the cantilever measured during the experiment to damping of the tip-sample system. We demonstrated the conversion of the dissipation power versus tip-sample separation curve measured using a colloidal probe cantilever on a mica surface in water to the damping curve, which showed a good agreement with the theoretical curve. Moreover, we obtained the damping curve from the dissipation power curve measured on the hydration layers on the mica surface using a nanometer-scale tip, demonstrating that the formula allows us to quantitatively measure the viscosity of a nano-confined liquid using FM-AFM.
Accurate formula for dissipative interaction in frequency modulation atomic force microscopy
NASA Astrophysics Data System (ADS)
Suzuki, Kazuhiro; Kobayashi, Kei; Labuda, Aleksander; Matsushige, Kazumi; Yamada, Hirofumi
2014-12-01
Much interest has recently focused on the viscosity of nano-confined liquids. Frequency modulation atomic force microscopy (FM-AFM) is a powerful technique that can detect variations in the conservative and dissipative forces between a nanometer-scale tip and a sample surface. We now present an accurate formula to convert the dissipation power of the cantilever measured during the experiment to damping of the tip-sample system. We demonstrated the conversion of the dissipation power versus tip-sample separation curve measured using a colloidal probe cantilever on a mica surface in water to the damping curve, which showed a good agreement with the theoretical curve. Moreover, we obtained the damping curve from the dissipation power curve measured on the hydration layers on the mica surface using a nanometer-scale tip, demonstrating that the formula allows us to quantitatively measure the viscosity of a nano-confined liquid using FM-AFM.
Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan
2016-06-21
We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results. PMID:27240749
Garrone, Edoardo; Otero Areán, Carlos
2005-10-01
This tutorial review describes the use of variable temperature infrared spectroscopy of adsorbed species (VTIR), a recent method for studying the thermodynamics of weak solid-gas interactions. Examples show how a fundamental relationship of thermodynamics (the van't Hoff equation, used long since in several fields of physical chemistry) can describe equilibrium processes at the solid-gas interface. The VTIR method is fully exploited by measuring absorbance of an IR band, temperature and pressure over a wide temperature range: an estimation of the interaction energy is, however, possible even ignoring the equilibrium pressure. Precise thermodynamic characterization of solid-gas interactions is required in several fields: on the applied side, gas sensing, separation and storage, which involve such areas as work-place security, air pollution control and the energy sector; regarding fundamental knowledge, weak solid-gas interactions are relevant to a number of fields, including hydrogen bonding, coordination chemistry and surface phenomena in a broad sense. Infrared (IR) spectroscopy of (gas) molecules adsorbed on a solid is frequently used to characterize both, the adsorbed species and the adsorbing centres at the solid surface. The potential of the technique can be greatly enhanced by obtaining IR spectra over a temperature range, and simultaneously measuring IR absorbance, temperature and equilibrium pressure. When this is done, variable temperature infrared (VTIR) spectroscopy can be used not only for a more detailed surface characterization, but also for precise studies on the thermodynamics of solid-gas interactions. Furthermore, when weak interactions are concerned, the technique shows favourable features compared to adsorption calorimetry, or to other classical methods. The potential of the VTIR method is highlighted by reviewing recently reported studies on dihydrogen, dinitrogen and carbon monoxide adsorption on zeolites. To facilitate understanding, an
Not Available
1991-01-01
This report discusses research in high energy physics on the following topics: rare b decays; flavor changing top decays;neutrino physics; standard model; cp violation; heavy ion collisions; electron-positron interactions; electron-hadron interactions; hadron-hadron interactions; deep inelastic scattering; and grand unified models. (LSP)
Hermann, Max; Schunke, Anja C; Schultz, Thomas; Klein, Reinhard
2016-01-01
Large image deformations pose a challenging problem for the visualization and statistical analysis of 3D image ensembles which have a multitude of applications in biology and medicine. Simple linear interpolation in the tangent space of the ensemble introduces artifactual anatomical structures that hamper the application of targeted visual shape analysis techniques. In this work we make use of the theory of stationary velocity fields to facilitate interactive non-linear image interpolation and plausible extrapolation for high quality rendering of large deformations and devise an efficient image warping method on the GPU. This does not only improve quality of existing visualization techniques, but opens up a field of novel interactive methods for shape ensemble analysis. Taking advantage of the efficient non-linear 3D image warping, we showcase four visualizations: 1) browsing on-the-fly computed group mean shapes to learn about shape differences between specific classes, 2) interactive reformation to investigate complex morphologies in a single view, 3) likelihood volumes to gain a concise overview of variability and 4) streamline visualization to show variation in detail, specifically uncovering its component tangential to a reference surface. Evaluation on a real world dataset shows that the presented method outperforms the state-of-the-art in terms of visual quality while retaining interactive frame rates. A case study with a domain expert was performed in which the novel analysis and visualization methods are applied on standard model structures, namely skull and mandible of different rodents, to investigate and compare influence of phylogeny, diet and geography on shape. The visualizations enable for instance to distinguish (population-)normal and pathological morphology, assist in uncovering correlation to extrinsic factors and potentially support assessment of model quality. PMID:26390470
Interaction of impurity ions with a weakly non-Maxwellian simple hydrogenic plasma. [None
Terry, W.K.
1988-03-01
The average acceleration of an ensemble of /open quotes/test particles/close quotes/ in a plasma is called the /open quotes/dynamical friction/close quotes/; the average rate at which their velocity vectors spread out in velocity-space diffusion-rate tensor. These quantities are derived for impurity ions intereacting with a weakly non-Maxwellian simple hydrogenic plasma. The distribution functions for the plasma ions and electrons are written explicitly.
A two-locus interaction causes interspecific hybrid weakness in rice
Chen, Chen; Chen, Hao; Lin, You-Shun; Shen, Jin-Bo; Shan, Jun-Xiang; Qi, Peng; Shi, Min; Zhu, Mei-Zhen; Huang, Xue-Hui; Feng, Qi; Han, Bin; Jiang, Liwen; Gao, Ji-Ping; Lin, Hong-Xuan
2014-01-01
Reproductive barriers perform a vital role during speciation. Hybrid weakness, the poorer development of hybrids compared with their parents, hinders gene exchange between different species at the postzygotic stage. Here we show that two incompatible dominant loci (Hwi1 and Hwi2) involving three genes are likely to determine the high temperature-dependent expression of hybrid weakness in interspecific hybrids of rice. Hwi1 comprises two leucine-rich repeat receptor-like kinase (LRR–RLK) genes, 25L1 and 25L2, which are specific to wild rice (Oryza rufipogon) and induce hybrid weakness. Hwi2, a rare allele that is predominantly distributed in indica rice (Oryza sativa), encodes a secreted putative subtilisin-like protease. Functional analysis indicated that pyramiding of Hwi1 and Hwi2 activates the autoimmune response in the basal nodes of hybrids, interrupting root formation and then impairing shoot growth. These findings bring new insights into our understanding of reproductive isolation and may benefit rice breeding. PMID:24556665
Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.
2014-01-28
Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.
NASA Astrophysics Data System (ADS)
Liu, Qianlong; Reifsnider, Kenneth
2012-11-01
The basis of dielectrophoresis (DEP) is the prediction of the force and torque on particles. The classical approach to the prediction is based on the effective moment method, which, however, is an approximate approach, assumes infinitesimal particles. Therefore, it is well-known that for finite-sized particles, the DEP approximation is inaccurate as the mutual field, particle, wall interactions become strong, a situation presently attracting extensive research for practical significant applications. In the present talk, we provide accurate calculations of the force and torque on the particles from first principles, by directly resolving the local geometry and properties and accurately accounting for the mutual interactions for finite-sized particles with both dielectric polarization and conduction in a sinusoidally steady-state electric field. Since the approach has a significant advantage, compared to other numerical methods, to efficiently simulate many closely packed particles, it provides an important, unique, and accurate technique to investigate complex DEP phenomena, for example heterogeneous mixtures containing particle chains, nanoparticle assembly, biological cells, non-spherical effects, etc. This study was supported by the Department of Energy under funding for an EFRC (the HeteroFoaM Center), grant no. DE-SC0001061.
Oyeyemi, Victor B; Krisiloff, David B; Keith, John A; Libisch, Florian; Pavone, Michele; Carter, Emily A
2014-01-28
Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs. PMID:25669533
NASA Astrophysics Data System (ADS)
Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.
2014-01-01
Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.
Argudo, David; Bethel, Neville P; Marcoline, Frank V; Grabe, Michael
2016-07-01
Biological membranes deform in response to resident proteins leading to a coupling between membrane shape and protein localization. Additionally, the membrane influences the function of membrane proteins. Here we review contributions to this field from continuum elastic membrane models focusing on the class of models that couple the protein to the membrane. While it has been argued that continuum models cannot reproduce the distortions observed in fully-atomistic molecular dynamics simulations, we suggest that this failure can be overcome by using chemically accurate representations of the protein. We outline our recent advances along these lines with our hybrid continuum-atomistic model, and we show the model is in excellent agreement with fully-atomistic simulations of the nhTMEM16 lipid scramblase. We believe that the speed and accuracy of continuum-atomistic methodologies will make it possible to simulate large scale, slow biological processes, such as membrane morphological changes, that are currently beyond the scope of other computational approaches. This article is part of a Special Issue entitled: Membrane Proteins edited by J.C. Gumbart and Sergei Noskov. PMID:26853937
iTagPlot: an accurate computation and interactive drawing tool for tag density plot
Kim, Sung-Hwan; Ezenwoye, Onyeka; Cho, Hwan-Gue; Robertson, Keith D.; Choi, Jeong-Hyeon
2015-01-01
Motivation: Tag density plots are very important to intuitively reveal biological phenomena from capture-based sequencing data by visualizing the normalized read depth in a region. Results: We have developed iTagPlot to compute tag density across functional features in parallel using multicores and a grid engine and to interactively explore it in a graphical user interface. It allows us to stratify features by defining groups based on biological function and measurement, summary statistics and unsupervised clustering. Availability and implementation: http://sourceforge.net/projects/itagplot/. Contact: jechoi@gru.edu and jeochoi@gmail.com Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25792550
Three-dimensional Euler time accurate simulations of fan rotor-stator interactions
NASA Technical Reports Server (NTRS)
Boretti, A. A.
1990-01-01
A numerical method useful to describe unsteady 3-D flow fields within turbomachinery stages is presented. The method solves the compressible, time dependent, Euler conservation equations with a finite volume, flux splitting, total variation diminishing, approximately factored, implicit scheme. Multiblock composite gridding is used to partition the flow field into a specified arrangement of blocks with static and dynamic interfaces. The code is optimized to take full advantage of the processing power and speed of the Cray Y/MP supercomputer. The method is applied to the computation of the flow field within a single stage, axial flow fan, thus reproducing the unsteady 3-D rotor-stator interaction.
Li, Sicheng; Smith, Daniel G A; Patkowski, Konrad
2015-07-01
We assessed the performance of a large variety of modern density functional theory approaches for the adsorption of carbon dioxide on molecular models of pyridinic N-doped graphene. Specifically, we selected eight polyheterocyclic aromatic compounds ranging from pyridine and pyrazine to 1,6-diazacoronene and investigated their complexes with CO2 for a large range of intermolecular distances and including both in-plane and stacked orientations. The benchmark interaction energies were computed at the complete-basis-set limit MP2 level plus a CCSD(T) coupled-cluster correction in a moderate but carefully selected basis set. Using a set of 96 benchmark CCSD(T)-level interaction energies as a reference, we investigated the accuracy of DFT-based approaches as a function of the density functional, the dispersion correction, the basis set, and the counterpoise correction or lack thereof. While virtually all DFT variants exhibit some deterioration of accuracy for distances slightly shorter than the van der Waals minima, we were able to identify several schemes such as B2PLYP-D3 and M05-2X-D3 whose average errors on the entire benchmark data set are in the 5-10% range. The top DFT performers were subsequently used to investigate the energy profile for a carbon dioxide transition through model N-doped graphene pores. All investigated methods confirmed that the largest, N4H4 pore allows for a barrierless CO2 transition to the other side of a graphene sheet. PMID:26055458
NASA Technical Reports Server (NTRS)
Cain, A. B.; Thompson, M. W.
1986-01-01
The growth of the momentum thickness and the modal disturbance energies are examined to study the nature and onset of nonlinearity in a temporally growing free shear layer. A shooting technique is used to find solutions to the linearized eigenvalue problem, and pseudospectral weakly nonlinear simulations of this flow are obtained for comparison. The roll-up of a fundamental disturbance follows linear theory predictions even with a 20 percent disturbance amplitude. A weak nonlinear interaction of the disturbance creates a finite-amplitude mean shear stress which dominates the growth of the layer momentum thickness, and the disturbance growth rate changes until the fundamental disturbance dominates. The fundamental then becomes an energy source for the harmonic, resulting in an increase in the growth rate of the subharmonic over the linear prediction even when the fundamental has no energy to give. Also considered are phase relations and the wall influence.
The Coulomb interaction in Helium-3: Interplay of strong short-range and weak long-range potentials
NASA Astrophysics Data System (ADS)
Kirscher, J.; Gazit, D.
2016-04-01
Quantum chromodynamics and the electroweak theory at low energies are prominent instances of the combination of a short-range and a long-range interaction. For the description of light nuclei, the large nucleon-nucleon scattering lengths produced by the strong interaction, and the reduction of the weak interaction to the Coulomb potential, play a crucial role. Helium-3 is the first bound nucleus comprised of more than one proton in which this combination of forces can be studied. We demonstrate a proper renormalization of Helium-3 using the pionless effective field theory as the formal representation of the nuclear regime as strongly interacting fermions. The theory is found consistent at leading and next-to-leading order without isospin-symmetry-breaking 3-nucleon interactions and a non-perturbative treatment of the Coulomb interaction. The conclusion highlights the significance of the regularization method since a comparison to previous work is contradictory if the difference in those methods is not considered. With a perturbative Coulomb interaction, as suggested by dimensional analysis, we find the Helium-3 system properly renormalized, too. For both treatments, renormalization-scheme independence of the effective field theory is demonstrated by regulating the potential and a variation of the associated cutoff.
NASA Astrophysics Data System (ADS)
Schroeder, Sidsel D.; Mackeprang, Kasper; Kjaergaard, Henrik G.
2013-06-01
The weak intramolecular OH\\cdots π interactions in allyl carbinol and methallyl carbinol have been studied using a combination of NIR spectroscopy and theory. The third OH-stretching overtone region of vapor phase allyl carbinol and methallyl carbinol have been recorded with intracavity laser photoacoustic spectroscopy to study the effect of an enhanced OH\\cdots π interaction in methallyl carbinol arising from the electron donating methyl group. Local mode calculations were employed to assign the observed bands. The OH-stretching transition frequency of methallyl carbinol was observed to be red shifted relative to the OH-stretching transition frequency of allyl carbinol. A red shift of the transition frequency is in this context normally interpreted as a signature of hydrogen bonding. Whether the OH\\cdots π interaction can be categorized as a hydrogen bond will be discussed in this talk.
Bai, Qifeng; Yao, Xiaojun
2016-01-01
Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1. PMID:26887338
NASA Technical Reports Server (NTRS)
Eby, P. B.
1978-01-01
The construction of a clock based on the beta decay process is proposed to test for any violations by the weak interaction of the strong equivalence principle bu determining whether the weak interaction coupling constant beta is spatially constant or whether it is a function of gravitational potential (U). The clock can be constructed by simply counting the beta disintegrations of some suitable source. The total number of counts are to be taken a measure of elapsed time. The accuracy of the clock is limited by the statistical fluctuations in the number of counts, N, which is equal to the square root of N. Increasing N gives a corresponding increase in accuracy. A source based on the electron capture process can be used so as to avoid low energy electron discrimination problems. Solid state and gaseous detectors are being considered. While the accuracy of this type of beta decay clock is much less than clocks based on the electromagnetic interaction, there is a corresponding lack of knowledge of the behavior of beta as a function of gravitational potential. No predictions from nonmetric theories as to variations in beta are available as yet, but they may occur at the U/sg C level.
NASA Astrophysics Data System (ADS)
Bai, Qifeng; Yao, Xiaojun
2016-02-01
Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1.
Ramagopal, Udupi A.; Ramakumar, Suryanarayanarao; Sahal, Dinkar; Chauhan, Virander S.
2001-01-01
Design of helical super secondary structural motifs is expected to provide important scaffolds to incorporate functional sites, thus allowing the engineering of novel miniproteins with function. An α,β-dehydrophenylalanine containing 21-residue apolar peptide was designed to mimic the helical hairpin motif by using a simple geometrical design strategy. The synthetic peptide folds into the desired structure as assessed crystallographically at 1.0-Å resolution. The two helices of the helical-hairpin motif, connected by a flexible (Gly)4 linker, are docked to each other by the concerted influence of weak interactions. The folding of the peptide without binary patterning of amino acids, disulfide bonds, or metal ions is a remarkable observation. The results demonstrate that preferred interactions among the hydrophobic residues selectively discriminate their putative partners in space, leading to the unique folding of the peptide, also a hallmark of the unique folding of hydrophobic core in globular proteins. We demonstrate here the engineering of molecules by using weak interactions pointing to their possible further exploitation in the de novo design of protein super secondary structural elements. PMID:11158562
NASA Astrophysics Data System (ADS)
Jin, Shouwen; Wang, Daqi
2014-05-01
Eight crystalline organic acid-base adducts derived from alkane bridged bis(N-benzimidazole) and organic acids (2,4,6-trinitrophenol, p-nitrobenzoic acid, m-nitrobenzoic acid, 3,5-dinitrobenzoic acid, 5-sulfosalicylic acid and oxalic acid) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Of the eight compounds five are organic salts (1, 4, 6, 7 and 8) and the other three (2, 3, and 5) are cocrystals. In all of the adducts except 1 and 8, the ratio of the acid and the base is 2:1. All eight supramolecular assemblies involve extensive intermolecular classical hydrogen bonds as well as other noncovalent interactions. The role of weak and strong noncovalent interactions in the crystal packing is ascertained. These weak interactions combined, all the complexes displayed 3D framework structure. The results presented herein indicate that the strength and directionality of the classical N+-H⋯O-, O-H⋯O, and O-H⋯N hydrogen bonds (ionic or neutral) and other nonbonding associations between acids and ditopic benzimidazoles are sufficient to bring about the formation of cocrystals or organic salts.
Landau pole in the Standard Model with weakly interacting scalar fields
NASA Astrophysics Data System (ADS)
Hamada, Yuta; Kawana, Kiyoharu; Tsumura, Koji
2015-07-01
We consider the Standard Model with a new scalar field X which is an nX representation of the SU (2)L with a hypercharge YX. The renormalization group running effects on the new scalar quartic coupling constants are evaluated. Even if we set the scalar quartic coupling constants to be zero at the scale of the new scalar field, the coupling constants are induced by the one-loop effect of the weak gauge bosons. Once non-vanishing couplings are generated, the couplings rapidly increase by renormalization group effect of the quartic coupling constant itself. As a result, the Landau pole appears below Planck scale if nX ≥ 4. We find that the scale of the obtained Landau pole is much lower than that evaluated by solving the one-loop beta function of the gauge coupling constants.
Vlasov simulations of plasma-wall interactions in a magnetized and weakly collisional plasma
Devaux, S.; Manfredi, G.
2006-08-15
A Vlasov code is used to model the transition region between an equilibrium plasma and an absorbing wall in the presence of a tilted magnetic field, for the case of a weakly collisional plasma ({lambda}{sub mfp}>>{rho}{sub i}, where {lambda}{sub mfp} is the ion-neutral mean-free path and {rho}{sub i} is the ion Larmor radius). The phase space structure of the plasma-wall transition is analyzed in detail and theoretical estimates of the magnetic presheath width are tested numerically. It is shown that the distribution near the wall is far from Maxwellian, so that temperature measurements should be interpreted with care. Particular attention is devoted to the angular distribution of ions impinging on the wall, which is an important parameter to determine the level of wall erosion and sputtering.
Auto-generation in wall turbulence by the interaction of weak eddies
NASA Astrophysics Data System (ADS)
Goudar, Manu V.; Breugem, W.-P.; Elsinga, G. E.
2016-03-01
For channel flow, we explore how commonly found weak eddies can still auto-generate and produce new eddies. Before, only strong eddies (above a threshold strength) were considered to auto-generate. Such strong eddies are rarely observed in actual turbulent flows however. Here, the evolution of two weak conditional eddies with different initial strengths, initial sizes, and initial stream-wise spacing between them is studied. The numerical procedure followed is similar to Zhou et al. ["Mechanisms for generating coherent packets of hairpin vortices in channel flow," J. Fluid Mech. 387, 353 (1999)]. The two eddies are found to merge into a single stronger eddy when the initial upstream eddy is taller than the downstream eddy, which further auto-generates when the initial stream-wise separation is small (<120 wall units). However, it is observed that non-merging cases with small initial stream-wise separation also auto-generated. In the initial condition, the two conditional eddies are placed near to each other so their velocity fields (low-speed streaks and ejection events) get superimposed and amplified as a function of stream-wise spacing. To examine this effect, a divergence free low-speed streak is superimposed on an eddy. It is found that these low-speed streak simulations do not auto-generate. On the other hand, a rapid lift-up of an eddy by ejection events plays a role in the onset of auto-generation, which also leads to a modified interpretation of auto-generation mechanism. It differed from the existing auto-generation mechanism at the later stages of auto-generation where blockage of mean flow and shear layer deformation is considered instead of vortex dynamics.
Agnese, R.
2016-02-17
The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Our results are presented from the second CDMSlite run with an exposure of 70 kg days, which reached an energy threshold for electron recoils as low as 56 eV. Furthermore, a fiducialization cut reduces backgrounds below those previously reported by CDMSlite. Lastly, new parameter space for the WIMP-nucleon spin-independent cross section is excluded forWIMP masses between 1.6 and 5.5 GeV/c2.
Mukherjee, Ashis K
2008-06-15
The molecular weights of two phospholipase A(2) (PLA(2))-interacting polypeptides (kaouthiotoxins (KTXs)-KTX-A and KTX-B) purified from the venom of monocled cobra Naja kaouthia, were estimated by mass spectrometry as 7722 and 7627Da, respectively. Binary sequence alignment showed that both KTXs share substantial sequence homology with weak neurotoxins from cobra venom and they were devoid of any enzymatic activity. Their pI was determined at pH 8.1 showing basic nature of these proteins. KTXs displayed cell-specific cytotoxicity on mammalian and insect cells. PMID:18456298
NASA Astrophysics Data System (ADS)
Agnese, R.; Anderson, A. J.; Aramaki, T.; Asai, M.; Baker, W.; Balakishiyeva, D.; Barker, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Calkins, R.; Cerdeno, D. G.; Chagani, H.; Chen, Y.; Cooley, J.; Cornell, B.; Cushman, P.; Daal, M.; Di Stefano, P. C. F.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Ghaith, M.; Godfrey, G. L.; Golwala, S. R.; Hall, J.; Harris, H. R.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jardin, D.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Leder, A.; Loer, B.; Lopez Asamar, E.; Lukens, P.; Mahapatra, R.; Mandic, V.; Mast, N.; Mirabolfathi, N.; Moffatt, R. A.; Morales Mendoza, J. D.; Oser, S. M.; Page, K.; Page, W. A.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redl, P.; Reisetter, A.; Ricci, Y.; Roberts, A.; Rogers, H. E.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, R. W.; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Toback, D.; Underwood, R.; Upadhyayula, S.; Villano, A. N.; Welliver, B.; Wilson, J. S.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.; SuperCDMS Collaboration
2016-02-01
The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Results are presented from the second CDMSlite run with an exposure of 70 kg day, which reached an energy threshold for electron recoils as low as 56 eV. A fiducialization cut reduces backgrounds below those previously reported by CDMSlite. New parameter space for the WIMP-nucleon spin-independent cross section is excluded for WIMP masses between 1.6 and 5.5 GeV /c2 .
Agnese, R; Anderson, A J; Aramaki, T; Asai, M; Baker, W; Balakishiyeva, D; Barker, D; Basu Thakur, R; Bauer, D A; Billard, J; Borgland, A; Bowles, M A; Brink, P L; Bunker, R; Cabrera, B; Caldwell, D O; Calkins, R; Cerdeno, D G; Chagani, H; Chen, Y; Cooley, J; Cornell, B; Cushman, P; Daal, M; Di Stefano, P C F; Doughty, T; Esteban, L; Fallows, S; Figueroa-Feliciano, E; Ghaith, M; Godfrey, G L; Golwala, S R; Hall, J; Harris, H R; Hofer, T; Holmgren, D; Hsu, L; Huber, M E; Jardin, D; Jastram, A; Kamaev, O; Kara, B; Kelsey, M H; Kennedy, A; Leder, A; Loer, B; Lopez Asamar, E; Lukens, P; Mahapatra, R; Mandic, V; Mast, N; Mirabolfathi, N; Moffatt, R A; Morales Mendoza, J D; Oser, S M; Page, K; Page, W A; Partridge, R; Pepin, M; Phipps, A; Prasad, K; Pyle, M; Qiu, H; Rau, W; Redl, P; Reisetter, A; Ricci, Y; Roberts, A; Rogers, H E; Saab, T; Sadoulet, B; Sander, J; Schneck, K; Schnee, R W; Scorza, S; Serfass, B; Shank, B; Speller, D; Toback, D; Underwood, R; Upadhyayula, S; Villano, A N; Welliver, B; Wilson, J S; Wright, D H; Yellin, S; Yen, J J; Young, B A; Zhang, J
2016-02-19
The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Results are presented from the second CDMSlite run with an exposure of 70 kg day, which reached an energy threshold for electron recoils as low as 56 eV. A fiducialization cut reduces backgrounds below those previously reported by CDMSlite. New parameter space for the WIMP-nucleon spin-independent cross section is excluded for WIMP masses between 1.6 and 5.5 GeV/c^{2}. PMID:26943526
NASA Astrophysics Data System (ADS)
Lonardoni, D.; Pederiva, F.; Gandolfi, S.
2014-01-01
Background: An accurate assessment of the hyperon-nucleon interaction is of great interest in view of recent observations of very massive neutron stars. The challenge is to build a realistic interaction that can be used over a wide range of masses and in infinite matter starting from the available experimental data on the binding energy of light hypernuclei. To this end, accurate calculations of the hyperon binding energy in a hypernucleus are necessary. Purpose: We present a quantum Monte Carlo study of Λ and ΛΛ hypernuclei up to A =91. We investigate the contribution of two- and three-body Λ-nucleon forces to the Λ binding energy. Method: Ground state energies are computed solving the Schrödinger equation for nonrelativistic baryons by means of the auxiliary field diffusion Monte Carlo algorithm extended to the hypernuclear sector. Results: We show that a simple adjustment of the parameters of the ΛNN three-body force yields a very good agreement with available experimental data over a wide range of hypernuclear masses. In some cases no experiments have been performed yet, and we give new predictions. Conclusions: The newly fitted ΛNN force properly describes the physics of medium-heavy Λ hypernuclei, correctly reproducing the saturation property of the hyperon separation energy.
Gunasekara, Nirosha; Sykes, Brian; Hugh, Judith
2012-05-18
Highlights: Black-Right-Pointing-Pointer MUC1 binds the Src-SH3 domain potentially triggering Src dependent cell migration. Black-Right-Pointing-Pointer NMR Spectroscopy was used to monitor MUC1-CD and Src SH3 domain titrations. Black-Right-Pointing-Pointer MUC1-CD peptides bind with a low affinity (K{sub d} of 2-3 mM) to a non-canonical site. Black-Right-Pointing-Pointer Weak interactions may mediate dynamic processes like migration. Black-Right-Pointing-Pointer The MUC1-CD and Src-SH3 interaction may be a prime target to inhibit cell migration. -- Abstract: Breast cancer causes death through cancer cell migration and subsequent metastasis to distant organs. In vitro, the MUC1 mucin can mediate breast cancer cell migration by binding to intercellular adhesion molecule-1 (ICAM-1). This migration is dependent on MUC1 cytoplasmic domain (MUC1-CD) activation of the non-receptor tyrosine kinase, Src, possibly through competitive displacement of an inhibitory Src intramolecular SH3 binding. Therefore, we characterized the binding site and affinity of the MUC1-CD for Src-SH3 using multidimensional nuclear magnetic resonance (NMR) spectroscopy to monitor the titration of the {sup 15}N labeled Src-SH3 domain with synthetic native and mutant peptides of MUC1-CD. The results revealed that the dissociation constant (K{sub d}) for the interaction of the native MUC1-CD peptides and Src-SH3 domain was weak with a K{sub d} of 2-3 mM. Notably, the SH3 residues most perturbed upon peptide binding were located outside the usual hydrophobic binding cleft in a previously described alternate binding site on the Src-SH3, suggesting that MUC1-CD binds to a non-canonical site. The binding characteristics outlined here suggest that the interaction between Src-SH3 and MUC1-CD represents a novel weak electrostatic interaction of the type which is increasingly recognized as important in transient and dynamic protein complexes required for cell migration and signal transduction. As such, this
Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A
2015-02-01
As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G(**), B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol(-1), decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol(-1). PMID:24274986
Ayabe, Kazuki; Sato, Kazunobu; Nishida, Shinsuke; Ise, Tomoaki; Nakazawa, Shigeaki; Sugisaki, Kenji; Morita, Yasushi; Toyota, Kazuo; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji
2012-07-01
determined by simulating the random-orientation CW ESR spectra of 1. In addition, we have carried out Q-band pulsed ELDOR (ELectron-electron DOuble Resonance) experiments to confirm whether the obtained values for D(12) and J(12) are accurate. The distance is in a fuzzy region for the distance-measurements capability of the conventional, powerful ELDOR spectroscopy. The strong and weak points of the ESN spectroscopy with a single microwave frequency applicable to weakly exchange-coupled multi-electron systems are discussed in comparison with conventional ELDOR spectroscopy. The theoretical spin dipolar tensor and exchange interaction of the TEMPO biradical, as obtained by sophisticated quantum chemical calculations, agree with the experimental ones. PMID:22641222
Liu, Hui; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue
2016-11-01
The potential energy curves were calculated for the 24 Λ-S states correlating with the lowest four dissociation channels of the BO(+) cation. The potential energy curves were also computed for the 60 Ω states generated from the 24 Λ-S states. Calculations were made for internuclear separations from 0.08 to 1.05nm using the CASSCF method, which was followed by the icMRCI approach with the correlation-consistent basis sets. Core-valence correlation, scalar relativistic and basis extrapolation were accounted for. Of the 24 Λ-S states, only three states (2(5)Π, 1(5)Σ(-), and 2(5)Σ(-)) were found to be repulsive; only the 1(5)Δ state was found to be a very weakly-bound state; and the E(1)Π, 2(3)Π, and 1(5)Π states were found to be very strong bound. In addition, the B(1)Σ(+) and 3(1)Σ(+) states have double wells by the avoided crossing between the two states. The a(3)Π, 1(3)Σ(-), and 2(3)Σ(-) states are inverted with the spin-orbit coupling effect included. The spectroscopic parameters were determined and the vibrational properties of several Λ-S states were predicted. Comparison with available experimental data shows that the methodology employed is highly accurate for this system. PMID:27289351
Associated production of weak bosons and jets by multiple parton interactions
Eboli, O.; Halzen, F.; Mizukoshi, J.K.
1998-02-01
The sources of W+n-jet events in hadron collisions are higher-order QCD processes, but also multiple-parton interactions. A subprocess producing a W+k-jet final state, followed by one producing l jets in the same nucleon-nucleon interaction, will result in a W+n-jet event if k+l=n. In the simplest case a W+2-jet event can be produced by a quark-antiquark annihilation into W and a 2-jet event occurring in the same proton-antiproton interaction. We compute that this happens at the 10{percent} level of the higher-order QCD processes for the type of cuts made by the Fermilab Tevatron experiments. For jet p{sub T} values of order 5{endash}10 GeV, multiple-parton interactions dominate higher-order QCD-processes. The emergence of this new source of W+n-jet events towards lower p{sub T} simulates the running of {alpha}{sub s}; it is imperative to remove these processes from the event sample in order to extract information on the strong coupling constant. Also, BFKL studies of low-p{sub T} jet cross sections are held hostage to a detailed understanding of the multiple-parton interactions. We perform the calculations required to achieve these goals. A detailed experimental analysis of the data may, for the first time, determine the effective areas occupied by quarks and gluons in the nucleon. These are not necessarily identical. We also compute the multiple-parton contribution to Z+n-jet events. {copyright} {ital 1998} {ital The American Physical Society}
NASA Astrophysics Data System (ADS)
Sato, Takeshi; Nakai, Hiromi
2009-12-01
A new method to calculate the atom-atom dispersion coefficients in a molecule is proposed for the use in density functional theory with dispersion (DFT-D) correction. The method is based on the local response approximation due to Dobson and Dinte [Phys. Rev. Lett. 76, 1780 (1996)], with modified dielectric model recently proposed by Vydrov and van Voorhis [J. Chem. Phys. 130, 104105 (2009)]. The local response model is used to calculate the distributed multipole polarizabilities of atoms in a molecule, from which the dispersion coefficients are obtained by an explicit frequency integral of the Casimir-Polder type. Thus obtained atomic polarizabilities are also used in the damping function for the short-range singularity. Unlike empirical DFT-D methods, the local response dispersion (LRD) method is able to calculate the dispersion energy from the ground-state electron density only. It is applicable to any geometry, free from physical constants such as van der Waals radii or atomic polarizabilities, and computationally very efficient. The LRD method combined with the long-range corrected DFT functional (LC-BOP) is applied to calculations of S22 weakly bound complex set [Phys. Chem. Chem. Phys. 8, 1985 (2006)]. Binding energies obtained by the LC-BOP+LRD agree remarkably well with ab initio references.
NASA Astrophysics Data System (ADS)
Sato, Takeshi; Nakai, Hiromi
2009-12-01
A new method to calculate the atom-atom dispersion coefficients in a molecule is proposed for the use in density functional theory with dispersion (DFT-D) correction. The method is based on the local response approximation due to Dobson and Dinte [Phys. Rev. Lett. 76, 1780 (1996)], with modified dielectric model recently proposed by Vydrov and van Voorhis [J. Chem. Phys. 130, 104105 (2009)]. The local response model is used to calculate the distributed multipole polarizabilities of atoms in a molecule, from which the dispersion coefficients are obtained by an explicit frequency integral of the Casimir-Polder type. Thus obtained atomic polarizabilities are also used in the damping function for the short-range singularity. Unlike empirical DFT-D methods, the local response dispersion (LRD) method is able to calculate the dispersion energy from the ground-state electron density only. It is applicable to any geometry, free from physical constants such as van der Waals radii or atomic polarizabilities, and computationally very efficient. The LRD method combined with the long-range corrected DFT functional (LC-BOP) is applied to calculations of S22 weakly bound complex set [Phys. Chem. Chem. Phys. 8, 1985 (2006)]. Binding energies obtained by the LC-BOP + LRD agree remarkably well with ab initio references.
NASA Technical Reports Server (NTRS)
Kim, K.-S.; Lee, Y.; Alvi, F. S.; Settles, G. S.; Horstman, C. C.
1990-01-01
A joint experimental and computational study of skin friction in weak-to-strong swept shock wave/turbulent boundary-layer interactions has been carried out. A planar shock wave is generated by a sharp fin at angles of attack alpha = 10 deg and 16 deg at M(infinity) = 3 and 16 and 20 deg at M(infinity) = 4. Measurements are made using the Laser Interferometer Skin Friction meter, which optically detects the rate of thinning of an oil film applied to the test surface. The results show a systematic rise in the peak c(f) at the rear part of the interaction, where the separated flow atttaches. For the stronget case studied, this peak is an order of magnitude higher than the incoming freestream c(f)level.
Sakhr, Jamal; Whelan, Niall D.; Dumont, Randall S.
2006-11-15
The semiclassical limit of the quantum few-body problem has not been studied in general terms from the point of view of periodic orbit theory. In a previous paper, we studied noninteracting two-body systems [Phys. Rev. A 62, 042109 (2000)] and discussed the fact that the periodic orbits occur in continuous families. Interactions destroy the periodic orbit families leaving a discrete set of isolated periodic orbits. In this paper, we consider the effect of weak two-body interactions, which can be thought of as symmetry-breaking perturbations and can thus be analyzed using a theory developed by Creagh [Ann. Phys. (N.Y.) 248, 1 (1996)]. The Poeschl-Teller two-body system confined in a square well is analyzed to illustrate the use of the formalism. It is shown that the effect of the interaction can be evaluated for all two-particle periodic orbits, and that the coarse-grained quantum density of states can be fully reproduced from simply summing the perturbed contributions of each periodic orbit family. Good numerical estimates of the quantum singlet energies can actually be obtained, but it is found that that perturbed trace formulas cannot reproduce the multiplet splittings predicted from quantum mechanics. Several interesting properties are observed depending on the range of the interaction and on whether the interaction is attractive or repulsive.
NASA Astrophysics Data System (ADS)
Arjoranta, Juho; Heikkilä, Tero T.
2016-01-01
We study the effect of the intrinsic (Rashba or Dresselhaus) spin-orbit interaction in superconductor-nanowire-superconductor (SNS) weak links in the presence of a spin-splitting field that can result either from an intrinsic exchange field or the Zeeman effect of an applied field. We solve the full nonlinear Usadel equations numerically [The code used for calculating the results in this paper is available in https://github.com/wompo/Usadel-for-nanowires] and analyze the resulting supercurrent through the weak link and the behavior of the density of states in the center of the wire. We point out how the presence of the spin-orbit interaction gives rise to a long-range spin triplet supercurrent, which remains finite even in the limit of very large exchange fields. In particular, we show how rotating the field leads to a sequence of transitions between the 0 and π states as a function of the angle between the exchange field and the spin-orbit field. Simultaneously, the triplet pairing leads to a zero-energy peak in the density of states. We proceed by solving the linearized Usadel equations, showing the correspondence to the solutions of the full equations and detail the emergence of the long-range supercurrent components. Our studies are relevant for ongoing investigations of supercurrent in semiconductor nanowires in the limit of several channels and in the presence of disorder.
Linke, J M; Odenbach, S
2015-05-01
The anisotropy of the magnetoviscous effect of a ferrofluid has been studied in a specially designed slit die viscometer, which allows three distinct orientations of the magnetic field with respect to the fluid flow. The corresponding Miesowicz viscosity coefficients were determined in dependence of the shear rate and the magnetic field intensity to gain a comprehensive magnetorheological characterization of the fluid. The particles in the fluid have a mean diameter of 13 nm corresponding to an interaction parameter of λ ≈ 1.3 for magnetite. Thus, the fluid can be expected to show a transition from non-interacting individual particles to microstructures with chain-like associated particles when the magnetic field intensity is increased and the shear rate is decreased. The observed field and shear dependent anisotropy of the magnetoviscous effect is explained coherently in terms of these microstructural changes in the fluid. PMID:25837303
NASA Astrophysics Data System (ADS)
Linke, J. M.; Odenbach, S.
2015-05-01
The anisotropy of the magnetoviscous effect of a ferrofluid has been studied in a specially designed slit die viscometer, which allows three distinct orientations of the magnetic field with respect to the fluid flow. The corresponding Miesowicz viscosity coefficients were determined in dependence of the shear rate and the magnetic field intensity to gain a comprehensive magnetorheological characterization of the fluid. The particles in the fluid have a mean diameter of 13 nm corresponding to an interaction parameter of λ ≈ 1.3 for magnetite. Thus, the fluid can be expected to show a transition from non-interacting individual particles to microstructures with chain-like associated particles when the magnetic field intensity is increased and the shear rate is decreased. The observed field and shear dependent anisotropy of the magnetoviscous effect is explained coherently in terms of these microstructural changes in the fluid.
NASA Astrophysics Data System (ADS)
Xanthos, Savvas; Gong, Minwei; Andreopoulos, Yiannis
2010-01-01
Further analysis of the experimental data of the velocity gradient tensor first published by Xanthos et al. [J. Fluid Mech. 584, 301 (2007)] has been carried out and new results are reported here to provide additional insights on the effects of expansion waves interacting with isotropic turbulence. The flow field was generated by the reflection of an incoming shock wave at the open end of a large scale shock tube facility which interacted with the induced flow behind the incident shock wave which passed through a turbulence generating grid. In the present configuration the interaction is free from streamline curvature effects, which cause additional effects on turbulence. The strength of the applied expansive straining was 240 s-1. Rectangular pattern grids of different mesh sizes were used to generate isotropic and homogeneous turbulence with turbulent Reynolds number Reλ based on Taylor's microscale between 450 and 488. Lateral vorticity fluctuations and fluctuations of enstrophy and all stretching vector components are drastically reduced during the interaction. Residual attenuation in the postinteraction flow field was found only in the lateral vorticity fluctuations and in the longitudinal stretching term S11Ω1. Helicity and the helicity angle were computed from the data and the orientation angle of the vorticity vector in reference to the velocity vector was determined. Large fluctuations of the helicity angle were observed which extend from 0° to 180° with most probable values close to 30° and 130° and a mean value of 85°. Rotational dissipation rate was found to be high at these angles. The time-dependent signals of enstrophy, vortex stretching/tilting vector, and dissipation rate were found to exhibit a rather strong intermittent behavior which is characterized by high amplitude bursts followed by low level activities. It was found that the observed strong dissipative events are mostly associated with strong activities in the longitudinal stretching
Spectral function in electro-weak interactions and its impact on neutrino oscillation experiments
Jen, C.-M.
2015-10-15
Neutrino oscillation experiments have entered the high-precision era in the last few years. The oscillation parameters, as a measure of the neutrino properties, are extracted from the energy-dependent oscillation probability function. Different types of nuclear dynamics deeply influence the determination of neutrino energies in neutrino oscillation experiments. As a consequence, a comprehensive understanding of various nuclear dynamics interprets the scenario behind the neutrino interaction with nucleus and nuclei. The initial ground-state structure of the target nucleus is categorized in one typical nuclear dynamics, and its realistic description is generally referred as the spectral function (SF). Implementing the SF for each target nucleus into the GENIE neutrino event generator is the preliminary step necessary to obtain a reliable determination of the kinematics of all detectable final-products from neutrino interactions. At the intermedium-range of neutrino energies (∼ 1 GeV), the kinematic energy reconstruction is the vastly used approach and consists in identifying final-products as coming from the charged-current quasi-elastic-like (CCQE-like) neutrino interactions.
Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method
Krishtal, A.; Van Alsenoy, C.; Geerlings, P.
2014-05-14
We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.
Spectral function in electro-weak interactions and its impact on neutrino oscillation experiments
NASA Astrophysics Data System (ADS)
Jen, C.-M.
2015-10-01
Neutrino oscillation experiments have entered the high-precision era in the last few years. The oscillation parameters, as a measure of the neutrino properties, are extracted from the energy-dependent oscillation probability function. Different types of nuclear dynamics deeply influence the determination of neutrino energies in neutrino oscillation experiments. As a consequence, a comprehensive understanding of various nuclear dynamics interprets the scenario behind the neutrino interaction with nucleus and nuclei. The initial ground-state structure of the target nucleus is categorized in one typical nuclear dynamics, and its realistic description is generally referred as the spectral function (SF). Implementing the SF for each target nucleus into the GENIE neutrino event generator is the preliminary step necessary to obtain a reliable determination of the kinematics of all detectable final-products from neutrino interactions. At the intermedium-range of neutrino energies (˜ 1 GeV), the kinematic energy reconstruction is the vastly used approach and consists in identifying final-products as coming from the charged-current quasi-elastic-like (CCQE-like) neutrino interactions.
Sun, Y. Y.; Kim, Y. H.; Lee, K.; Zhang, S. B.
2008-01-01
Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.
Topics in phenomenology of unified gauge theories of weak, electromagnetic, and strong interactions
Kang, Y.S.
1982-11-01
Three phenomenological analyses on the current unification theories of elementary particle interactions are presented. In Chapter I, the neutral current phenomenology of a class of supersymmetric SU(2) x U(1) x U tilde(1) models is analyzed. A model with the simplest fermion and Higgs structure allowing a realistic mass spectrum is considered first. Its neutral current sector is parametrized in terms of two mixing angles and the strength of the new U tilde(1) interactions. Expressions for low-energy model-independent parameters are derived and compared with those of the standard model. Bounds on the neutral gauge boson masses are obtained from the data for various neutrino interactions, eD scattering, and the asymmetry in e/sup +/e/sup -/ ..-->.. ..mu../sup +/..mu../sup -/. In Chapter II, the evolution of fermion mass in grand unified theories is reexamined. In particular, the question of gauge invariance of mass ratios in left-right asymmetric theories is considered. A simple expression is derived for the evolution of the Higgs-fermion-fermion coupling which essentially governs the scale dependence of fermion mass. At the one loop level the expression is gauge invariant and involves only the representation content of left- and right-handed fermions but not that of Higgs. The corresponding expression for supersymmetric theories is also given. In Chapter III, the production and the subsequent decays of a heavy lepton pair L/sup + -/ near the Z peak in e/sup +/e/sup -/ annihilation are considered as a test of the standard model. The longitudinal polarization is derived from the spin-dependent production cross-section, and the decays L ..-->.. ..pi.. nu and L ..-->.. l nu nu are used as helicity analyzers.
Oyeyemi, Victor B.; Pavone, Michele; Carter, Emily A.
2011-11-03
Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: (1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; (2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and (3) DFT-B3LYP calculations of minimumenergy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of C*C and C*H bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules.
Aspects of the Flipped Unification of Strong, Weak and Electromagnetic Interactions
NASA Astrophysics Data System (ADS)
Kelley, Stephen
We explore phenomenological aspects of a recently -proposed Flipped SU(5) times U(1) supersymmetric GUT which incorporates an economical and natural mechanism for splitting Higgs doublets and triplets, and can be derived from string theory. Using experimental values of sin^2theta_{W } and the strong QCD coupling, we estimate the grand unification scale M_{G} , where the strong and weak coupling strengths are equal, and the superunification scale M_ {SU}, where all couplings are equal. We find typical values of M_{G} ~ 10^{15} to 10^{17} GeV, with M_{SU} somewhat higher and close to the value suggested by string models. We discuss different mechanisms for baryon decay, finding that the dominant one is gauge boson exchange giving rise to pto e^+pi^0, |nupi^+ and nto e^+pi^-, | nupi^0 with partial lifetimes ~10^{35+/- 2}y. We show that a large GUT symmetry-breaking scale M_{G} is naturally generated by radiative corrections to the effective potential if a small amount ~ m_{W} of soft supersymmetry breaking is generated dynamically at a large scale. We conclude that such spontaneous symmetry breaking causes sizable D-term contributions O(m _{W}) to all low energy scalar masses which may provide a means to discriminate among various candidate gauge groups. We analyze the low-energy effective theory obtained using the renormalization group equations, demonstrating that electroweak symmetry breaking is obtained if m_{t}~ 60 to 90 GeV. We analyze the spectrum of sparticles, with particular attention to neutralinos. Analysis of the dark matter properties of the theory shows that the LSP decays before cosmological nucleosynthesis, repopulating the fermionic "flatino" partner of the flaton, giving a viable candidate for metastable dark matter. Finally, we show that the definition of the unified field provided by Maharishi's Vedic Science supports the identification of the unified field with pure consciousness, and we present structural parallels between the sequence of
Weakly Self-interacting Dark Matter and the Structure of Dark Halos
NASA Astrophysics Data System (ADS)
Yoshida, Naoki; Springel, Volker; White, Simon D. M.; Tormen, Giuseppe
2000-12-01
We study the formation of dark halos in a ΛCDM universe under the assumption that cold dark matter (CDM) particles have a finite cross section for elastic collisions. We compare evolution when CDM mean free paths are comparable to halo sizes with the collisionless and fluid limits. We show that a few collisions per particle per Hubble time at halo center can substantially affect the central density profile. Cross sections an order of magnitude larger produce sufficient relaxation for rich clusters to develop core radii in the range 100-200 h-1 kpc. The structural evolution of halos is a competition between collisional relaxation caused by individual particle interactions and violent relaxation resulting from the infall and merging processes by which clusters grow. Although our simulations concentrate on systems of cluster size, we can scale our results to address the halo structure expected for dwarf galaxies. We find that collision cross sections sufficiently large to significantly modify the cores of such galaxies produce cluster cores that are too large and/or too round to be consistent with observation. Thus, the simplest model for self-interacting dark matter is unable to improve fits to published dwarf galaxy rotation curves without violating other observational constraints.
Weak protein-protein interactions revealed by immiscible filtration assisted by surface tension.
Berry, Scott M; Chin, Emily N; Jackson, Shawn S; Strotman, Lindsay N; Goel, Mohit; Thompson, Nancy E; Alexander, Caroline M; Miyamoto, Shigeki; Burgess, Richard R; Beebe, David J
2014-02-15
Biological mechanisms are often mediated by transient interactions between multiple proteins. The isolation of intact protein complexes is essential to understanding biochemical processes and an important prerequisite for identifying new drug targets and biomarkers. However, low-affinity interactions are often difficult to detect. Here, we use a newly described method called immiscible filtration assisted by surface tension (IFAST) to isolate proteins under defined binding conditions. This method, which gives a near-instantaneous isolation, enables significantly higher recovery of transient complexes compared to current wash-based protocols, which require reequilibration at each of several wash steps, resulting in protein loss. The method moves proteins, or protein complexes, captured on a solid phase through one or more immiscible-phase barriers that efficiently exclude the passage of nonspecific material in a single operation. We use a previously described polyol-responsive monoclonal antibody to investigate the potential of this new method to study protein binding. In addition, difficult-to-isolate complexes involving the biologically and clinically important Wnt signaling pathway were isolated. We anticipate that this simple, rapid method to isolate intact, transient complexes will enable the discoveries of new signaling pathways, biomarkers, and drug targets. PMID:24215910
Berry, Scott M.; Chin, Emily N.; Jackson, Shawn S.; Strotman, Lindsay N.; Goel, Mohit; Thompson, Nancy E.; Alexander, Caroline M.; Miyamoto, Shigeki; Burgess, Richard R.; Beebe, David J.
2013-01-01
Biological mechanisms are often mediated by transient interactions between multiple proteins. The isolation of intact protein complexes is essential to understanding biochemical processes and an important prerequisite for identifying new drug targets and biomarkers. However, low-affinity interactions are often difficult to detect. Here, we use a newly described method called immiscible filtration assisted by surface tension (IFAST) to isolate proteins under defined binding conditions. This method, that gives a near-instantaneous isolation, enables significantly higher recovery of transient complexes as compared to current wash-based protocols, which require re-equilibration at each of several wash steps, resulting in protein loss. The method moves proteins, or protein complexes, captured on a solid phase through one or more immiscible phase barriers that efficiently exclude the passage of non-specific material in a single operation. We use a previously described polyol-responsive monoclonal antibody (PR-mAb) to investigate the potential of this new method to study protein-binding. In addition, difficult-to-isolate complexes involving the biologically and clinically important Wnt signaling pathway were isolated. We anticipate that this simple, rapid method to isolate intact, transient complexes will enable the discoveries of new signaling pathways, biomarkers, and drug targets. PMID:24215910
Tunable insulator-quantum Hall transition in a weakly interacting two-dimensional electron system
2013-01-01
We have performed low-temperature measurements on a gated two-dimensional electron system in which electron–electron (e-e) interactions are insignificant. At low magnetic fields, disorder-driven movement of the crossing of longitudinal and Hall resistivities (ρxx and ρxy) can be observed. Interestingly, by applying different gate voltages, we demonstrate that such a crossing at ρxx ~ ρxy can occur at a magnetic field higher, lower, or equal to the temperature-independent point in ρxx which corresponds to the direct insulator-quantum Hall transition. We explicitly show that ρxx ~ ρxy occurs at the inverse of the classical Drude mobility 1/μD rather than the crossing field corresponding to the insulator-quantum Hall transition. Moreover, we show that the background magnetoresistance can affect the transport properties of our device significantly. Thus, we suggest that great care must be taken when calculating the renormalized mobility caused by e-e interactions. PMID:23819745
NASA Astrophysics Data System (ADS)
Uewaki, Jun-ichi; Kamikubo, Hironari; Kurita, Jun-ichi; Hiroguchi, Noriteru; Moriuchi, Hiroshi; Yoshida, Michiteru; Kataoka, Mikio; Utsunomiya-Tate, Naoko; Tate, Shin-ichi
2013-06-01
High mobility group box protein 2 (HMGB2) contains homologous tandem HMG box DNA-binding domains, boxes A and B. These two boxes are linked by a short basic linker having a sequence characteristic of an intrinsically disordered element. The combined use of NMR and small angle X-ray scattering (SAXS) showed that the two boxes assume a preferred orientation to make their DNA binding surface in opposite directions, although the linker does not keep any specific conformation. A series of site directed mutations to the residues in the linker showed that a network of CH-π interactions connects the N-terminal part of the linker to box A. The mutants having impaired intramolecular CH-π interactions changed the interdomain dynamics and their dynamic averaged orientation relative to the wild-type. This work demonstrates that the apparently unstructured linker plays a role in defining the preferential domain orientation through the intramolecular CH-π interactions, even though the interactions are weak and transient.
NASA Astrophysics Data System (ADS)
Sonnenschein, Andrew Harry
1999-01-01
The nature and extent of the mysterious ``dark matter'' has been one of the central puzzles in cosmology over the last decade. Current evidence suggests that the universe has a matter content of about 0.3 of the critical density. The theory of Big Bang nucleosynthesis allows only 20% of this matter to be made of protons and neutrons, hinting that the remaining 80% of the mass is in the form of a new elementary particle. One possibility is that this dark matter is made of the lightest neutralino suggested by supersymmetry, which should be stable and have a mass in the range 30-10000 GeV/c 2. These particles would have only weak interactions with ordinary matter, with the typical cross section for scattering on a nucleon below 10 -41 cm2. The particles would constitute a ``dark halo'' in our galaxy and could be discovered through their interactions with detectors on Earth. Since the typical interaction rate would be below 0.1 event/kg-day, the main experimental problem is to reduce the interference from environmental background radiation. The most troublesome interference comes from photons produced by the decay of radioactive elements present at trace levels in the detectors and other apparatus. One way to discriminate between signal events from WIMP- nucleus scattering and background events from photon interactions is to measure the ratio of ionization to heat deposited in a semiconductor detector. This differs by a factor of ~3 between the two cases. The Cryogenic Dark Matter Search (CDMS) experiment is based on the simultaneous measurement of ionization and phonons in germanium and silicon crystals cooled to 25 mK. This measurement allows >99% discrimination against photon interactions above 10 keV of deposited energy. We present data from two 165 g germanium detectors operated at the Stanford Underground Facility, with a total exposure equivalent to 6.4 kg-days. From this data set, we derive limits on the cross sections and masses of weakly interacting dark
Weak interaction between germanene and GaAs(0001) by H intercalation: A route to exfoliation
Kaloni, T. P.; Schwingenschlögl, U.
2013-11-14
Epitaxial germanene on a semiconducting GaAs(0001) substrate is studied by ab initio calculations. The germanene-substrate interaction is found to be strong for direct contact but can be substantially reduced by H intercalation at the interface. Our results indicate that it is energetically possible to take the germanene off the GaAs(0001) substrate. While mounted on the substrate, the electronic structure shows a distinct Dirac cone shift above the Fermi energy with a splitting of 175 meV. On the other hand, we find for a free standing sheet a band gap of 24 meV, which is due to the intrinsic spin orbit coupling.
Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes.
Nowakowska, Sylwia; Wäckerlin, Aneliia; Kawai, Shigeki; Ivas, Toni; Nowakowski, Jan; Fatayer, Shadi; Wäckerlin, Christian; Nijs, Thomas; Meyer, Ernst; Björk, Jonas; Stöhr, Meike; Gade, Lutz H; Jung, Thomas A
2015-01-01
Condensation processes are of key importance in nature and play a fundamental role in chemistry and physics. Owing to size effects at the nanoscale, it is conceptually desired to experimentally probe the dependence of condensate structure on the number of constituents one by one. Here we present an approach to study a condensation process atom-by-atom with the scanning tunnelling microscope, which provides a direct real-space access with atomic precision to the aggregates formed in atomically defined 'quantum boxes'. Our analysis reveals the subtle interplay of competing directional and nondirectional interactions in the emergence of structure and provides unprecedented input for the structural comparison with quantum mechanical models. This approach focuses on-but is not limited to-the model case of xenon condensation and goes significantly beyond the well-established statistical size analysis of clusters in atomic or molecular beams by mass spectrometry. PMID:25608225
Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes
NASA Astrophysics Data System (ADS)
Nowakowska, Sylwia; Wäckerlin, Aneliia; Kawai, Shigeki; Ivas, Toni; Nowakowski, Jan; Fatayer, Shadi; Wäckerlin, Christian; Nijs, Thomas; Meyer, Ernst; Björk, Jonas; Stöhr, Meike; Gade, Lutz H.; Jung, Thomas A.
2015-01-01
Condensation processes are of key importance in nature and play a fundamental role in chemistry and physics. Owing to size effects at the nanoscale, it is conceptually desired to experimentally probe the dependence of condensate structure on the number of constituents one by one. Here we present an approach to study a condensation process atom-by-atom with the scanning tunnelling microscope, which provides a direct real-space access with atomic precision to the aggregates formed in atomically defined ‘quantum boxes’. Our analysis reveals the subtle interplay of competing directional and nondirectional interactions in the emergence of structure and provides unprecedented input for the structural comparison with quantum mechanical models. This approach focuses on—but is not limited to—the model case of xenon condensation and goes significantly beyond the well-established statistical size analysis of clusters in atomic or molecular beams by mass spectrometry.
Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes
Nowakowska, Sylwia; Wäckerlin, Aneliia; Kawai, Shigeki; Ivas, Toni; Nowakowski, Jan; Fatayer, Shadi; Wäckerlin, Christian; Nijs, Thomas; Meyer, Ernst; Björk, Jonas; Stöhr, Meike; Gade, Lutz H.; Jung, Thomas A.
2015-01-01
Condensation processes are of key importance in nature and play a fundamental role in chemistry and physics. Owing to size effects at the nanoscale, it is conceptually desired to experimentally probe the dependence of condensate structure on the number of constituents one by one. Here we present an approach to study a condensation process atom-by-atom with the scanning tunnelling microscope, which provides a direct real-space access with atomic precision to the aggregates formed in atomically defined ‘quantum boxes’. Our analysis reveals the subtle interplay of competing directional and nondirectional interactions in the emergence of structure and provides unprecedented input for the structural comparison with quantum mechanical models. This approach focuses on—but is not limited to—the model case of xenon condensation and goes significantly beyond the well-established statistical size analysis of clusters in atomic or molecular beams by mass spectrometry. PMID:25608225
NASA Astrophysics Data System (ADS)
Davletshin, A. I.; Khalitova, T. F.
2016-01-01
A mathematical model of spatial hydrodynamic interaction of gas bubbles in liquid in an acoustic field taking into account small deformations of their surfaces is proposed. It is a system of ordinary differential equations of the second order in radii of the bubbles, the position vectors of their centers and the amplitudes of deviation of their shape from the spherical one in the form of spherical harmonics. The equations derived are of the first order of accuracy in A / R and of the fourth order in R / D, where R is the characteristic radius of the bubbles, A is the amplitude of characteristic deviation of their surface from the spherical one in the form of spherical harmonics, D is the characteristic distance between bubbles. The derivation of the equations is carried out by the method of spherical functions with the use of the Bernoulli integral, the kinematic and dynamic boundary conditions on the surface of the bubbles. The effects of viscosity and compressibility of the liquid are considered approximately, the gas in the bubbles is assumed homobaric.
Weak trophic interactions among birds, insects and white oak saplings (Quercus alba)
Lichtenberg, J.S.; Lichtenberg, D.A.
2002-01-01
We examined the interactions among insectivorous birds, arthropods and white oak saplings (Quercus alba L.) in a temperate deciduous forest under 'open' and 'closed' canopy environments. For 2 y, we compared arthropod densities, leaf damage and sapling growth. Saplings from each canopy environment were assigned to one of four treatments: (1) reference, (2) bird exclosure, (3) insecticide and (4) exclosure + insecticide. Sap-feeding insects were the most abundant arthropod feeding guild encountered and birds reduced sap-feeder densities in 1997, but not in 1998. Although there was no detectable influence of birds on leaf-chewer densities in either year, leaf damage to saplings was greater within bird exclosures than outside of bird exclosures in 1997. Insecticide significantly reduced arthropod densities and leaf damage to saplings, but there was no corresponding increase in sapling growth. Growth and biomass were greater for saplings in more open canopy environments for both years. Sap-feeder densities were higher on closed canopy than open canopy saplings in 1997, but canopy environment did not influence the effects of birds on lower trophic levels. Although previous studies have found birds to indirectly influence plant growth and biomass, birds did not significantly influence the growth or biomass of white oak saplings during our study.
Xia, Peng; Wang, Zhikai; Liu, Xing; Wu, Bing; Wang, Juncheng; Ward, Tarsha; Zhang, Liangyu; Ding, Xia; Gibbons, Gary; Shi, Yunyu; Yao, Xuebiao
2012-10-01
In eukaryotes, microtubules are essential for cellular plasticity and dynamics. Here we show that P300/CBP-associated factor (PCAF), a kinetochore-associated acetyltransferase, acts as a negative modulator of microtubule stability through acetylation of EB1, a protein that controls the plus ends of microtubules. PCAF acetylates EB1 on K220 and disrupts the stability of a hydrophobic cavity on the dimerized EB1 C terminus, which was previously reported to interact with plus-end tracking proteins (TIPs) containing the SxIP motif. As determined with an EB1 acetyl-K220-specific antibody, K220 acetylation is dramatically increased in mitosis and localized to the spindle microtubule plus ends. Surprisingly, persistent acetylation of EB1 delays metaphase alignment, resulting in impaired checkpoint silencing. Consequently, suppression of Mad2 overrides mitotic arrest induced by persistent EB1 acetylation. Thus, our findings identify dynamic acetylation of EB1 as a molecular mechanism to orchestrate accurate kinetochore-microtubule interactions in mitosis. These results establish a previously uncharacterized regulatory mechanism governing localization of microtubule plus-end tracking proteins and thereby the plasticity and dynamics of cells. PMID:23001180
NASA Astrophysics Data System (ADS)
Varela, J.; Pantellini, F.; Moncuquet, M.
2016-01-01
The aim of this study is to simulate the interaction of the solar wind with the Hermean magnetosphere when the interplanetary magnetic field is weak, performing a parametric study for all the range of hydrodynamic values of the solar wind predicted on Mercury for the ENLIL + GONG WSA + Cone SWRC model: density from 12 to 180 cm-3, velocity from 200 to 500 km/s and temperatures from 2 ·104 to 18 ·104 K, and compare the results with a real MESSENGER orbit as reference case. We use the code PLUTO in spherical coordinates and an asymmetric multipolar expansion for the Hermean magnetic field. The study shows for all simulations a stand off distance larger than the Mercury radius and the presence of close magnetic field lines on the day side of the planet, so the dynamic pressure of the solar wind is not high enough to push the magnetopause on the planet surface if the interplanetary magnetic field is weak. The simulations with large dynamic pressure lead to a large compression of the Hermean magnetic field modifying its topology in the inner magnetosphere as well as the plasma flows from the magnetosheath towards the planet surface.
An ultrastable conjugate of silver nanoparticles and protein formed through weak interactions
NASA Astrophysics Data System (ADS)
Brahmkhatri, Varsha P.; Chandra, Kousik; Dubey, Abhinav; Atreya, Hanudatta S.
2015-07-01
In recent years, silver nanoparticles (AgNPs) have attracted significant attention owing to their unique physicochemical, optical, conductive and antimicrobial properties. One of the properties of AgNPs which is crucial for all applications is their stability. In the present study we unravel a mechanism through which silver nanoparticles are rendered ultrastable in an aqueous solution in complex with the protein ubiquitin (Ubq). This involves a dynamic and reversible association and dissociation of ubiquitin from the surface of AgNP. The exchange occurs at a rate much greater than 25 s-1 implying a residence time of <40 ms for the protein. The AgNP-Ubq complex remains stable for months due to steric stabilization over a wide pH range compared to unconjugated AgNPs. NMR studies reveal that the protein molecules bind reversibly to AgNP with an approximate dissociation constant of 55 μM and undergo fast exchange. At pH > 4 the positively charged surface of the protein comes in contact with the citrate capped AgNP surface. Further, NMR relaxation-based experiments suggest that in addition to the dynamic exchange, a conformational rearrangement of the protein takes place upon binding to AgNP. The ultrastability of the AgNP-Ubq complex was found to be useful for its anti-microbial activity, which allowed the recycling of this complex multiple times without the loss of stability. Altogether, the study provides new insights into the mechanism of protein-silver nanoparticle interactions and opens up new avenues for its application in a wide range of systems.In recent years, silver nanoparticles (AgNPs) have attracted significant attention owing to their unique physicochemical, optical, conductive and antimicrobial properties. One of the properties of AgNPs which is crucial for all applications is their stability. In the present study we unravel a mechanism through which silver nanoparticles are rendered ultrastable in an aqueous solution in complex with the protein
Dynamic adsorption of weakly interacting polymer/surfactant mixtures at the air/water interface.
Angus-Smyth, Anna; Campbell, Richard A; Bain, Colin D
2012-08-28
The dynamic adsorption of polymer/surfactant mixtures containing poly(ethylene oxide) (PEO) with either tetradecyltrimethylammonium bromide (C(14)TAB) or sodium dodecyl sulfate (SDS) has been studied at the expanding air/water interface created by an overflowing cylinder, which has a surface age of 0.1-1 s. The composition of the adsorption layer is obtained by a new approach that co-models data obtained from ellipsometry and only one isotopic contrast from neutron reflectometry (NR) without the need for any deuterated polymer. The precision and accuracy of the polymer surface excess obtained matches the levels achieved from NR measurements of different isotopic contrasts involving deuterated polymer, and requires much less neutron beamtime. The PEO concentration was fixed at 100 ppm and the electrolyte concentration at 0.1 M while the surfactant concentration was varied over three orders of magnitude. For both systems, at low bulk surfactant concentrations, adsorption of the polymer is diffusion-controlled while surfactant adsorption is under mixed kinetic/diffusion control. Adsorption of PEO is inhibited once the surfactant coverage exceeds 2 μmol m(-2). For PEO/C(14)TAB, polymer adsorption drops abruptly to zero over a narrow range of surfactant concentration. For PEO/SDS, inhibition of polymer adsorption is much more gradual, and a small amount remains adsorbed even at bulk surfactant concentrations above the cmc. The difference in behavior of the two mixtures is ascribed to favorable interactions between the PEO and SDS in the bulk solution and at the surface. PMID:22746543
NASA Astrophysics Data System (ADS)
Muha, Boris; Čanić, Sunčica
2016-06-01
We study a nonlinear, moving boundary fluid-structure interaction (FSI) problem between an incompressible, viscous Newtonian fluid, modeled by the 2D Navier-Stokes equations, and an elastic structure modeled by the shell or plate equations. The fluid and structure are coupled via the Navier slip boundary condition and balance of contact forces at the fluid-structure interface. The slip boundary condition might be more realistic than the classical no-slip boundary condition in situations, e.g., when the structure is "rough", and in modeling FSI dynamics near, or at a contact. Cardiovascular tissue and cell-seeded tissue constructs, which consist of grooves in tissue scaffolds that are lined with cells, are examples of "rough" elastic interfaces interacting with an incompressible, viscous fluid. The problem of heart valve closure is an example of a FSI problem with a contact involving elastic interfaces. We prove the existence of a weak solution to this class of problems by designing a constructive proof based on the time discretization via operator splitting. This is the first existence result for fluid-structure interaction problems involving elastic structures satisfying the Navier slip boundary condition.
Shan, Chung-Lin
2014-08-01
In this paper, we extended our earlier work on the reconstruction of the (time-averaged) one-dimensional velocity distribution of Galactic Weakly Interacting Massive Particles (WIMPs) and introduce the Bayesian fitting procedure to the theoretically predicted velocity distribution functions. In this reconstruction process, the (rough) velocity distribution reconstructed by using raw data from direct Dark Matter detection experiments directly, i.e. measured recoil energies, with one or more different target materials, has been used as ''reconstructed-input'' information. By assuming a fitting velocity distribution function and scanning the parameter space based on the Bayesian analysis, the astronomical characteristic parameters, e.g. the Solar and Earth's Galactic velocities, will be pinned down as the output results.
NASA Astrophysics Data System (ADS)
Sagui, Celeste; Pedersen, Lee G.; Darden, Thomas A.
2004-01-01
The accurate simulation of biologically active macromolecules faces serious limitations that originate in the treatment of electrostatics in the empirical force fields. The current use of "partial charges" is a significant source of errors, since these vary widely with different conformations. By contrast, the molecular electrostatic potential (MEP) obtained through the use of a distributed multipole moment description, has been shown to converge to the quantum MEP outside the van der Waals surface, when higher order multipoles are used. However, in spite of the considerable improvement to the representation of the electronic cloud, higher order multipoles are not part of current classical biomolecular force fields due to the excessive computational cost. In this paper we present an efficient formalism for the treatment of higher order multipoles in Cartesian tensor formalism. The Ewald "direct sum" is evaluated through a McMurchie-Davidson formalism [L. McMurchie and E. Davidson, J. Comput. Phys. 26, 218 (1978)]. The "reciprocal sum" has been implemented in three different ways: using an Ewald scheme, a particle mesh Ewald (PME) method, and a multigrid-based approach. We find that even though the use of the McMurchie-Davidson formalism considerably reduces the cost of the calculation with respect to the standard matrix implementation of multipole interactions, the calculation in direct space remains expensive. When most of the calculation is moved to reciprocal space via the PME method, the cost of a calculation where all multipolar interactions (up to hexadecapole-hexadecapole) are included is only about 8.5 times more expensive than a regular AMBER 7 [D. A. Pearlman et al., Comput. Phys. Commun. 91, 1 (1995)] implementation with only charge-charge interactions. The multigrid implementation is slower but shows very promising results for parallelization. It provides a natural way to interface with continuous, Gaussian-based electrostatics in the future. It is
Kang, Yu; Gohlke, Ulrich; Engström, Olof; Hamark, Christoffer; Scheidt, Tom; Kunstmann, Sonja; Heinemann, Udo; Widmalm, Göran; Santer, Mark; Barbirz, Stefanie
2016-07-27
Understanding interactions of bacterial surface polysaccharides with receptor protein scaffolds is important for the development of antibiotic therapies. The corresponding protein recognition domains frequently form low-affinity complexes with polysaccharides that are difficult to address with experimental techniques due to the conformational flexibility of the polysaccharide. In this work, we studied the tailspike protein (TSP) of the bacteriophage Sf6. Sf6TSP binds and hydrolyzes the high-rhamnose, serotype Y O-antigen polysaccharide of the Gram-negative bacterium Shigella flexneri (S. flexneri) as a first step of bacteriophage infection. Spectroscopic analyses and enzymatic cleavage assays confirmed that Sf6TSP binds long stretches of this polysaccharide. Crystal structure analysis and saturation transfer difference (STD) NMR spectroscopy using an enhanced method to interpret the data permitted the detailed description of affinity contributions and flexibility in an Sf6TSP-octasaccharide complex. Dodecasaccharide fragments corresponding to three repeating units of the O-antigen in complex with Sf6TSP were studied computationally by molecular dynamics simulations. They showed that distortion away from the low-energy solution conformation found in the octasaccharide complex is necessary for ligand binding. This is in agreement with a weak-affinity functional polysaccharide-protein contact that facilitates correct placement and thus hydrolysis of the polysaccharide close to the catalytic residues. Our simulations stress that the flexibility of glycan epitopes together with a small number of specific protein contacts provide the driving force for Sf6TSP-polysaccharide complex formation in an overall weak-affinity interaction system. PMID:27045683
Chappelow, Jonathan; Tomaszewski, John E.; Feldman, Michael; Shih, Natalie; Madabhushi, Anant
2011-01-01
We present an interactive program called HistoStitcher© for accurate and rapid reassembly of histology fragments into a pseudo-whole digitized histological section. HistoStitcher© provides both an intuitive graphical interface to assist the operator in performing the stitch of adjacent histology fragments by selecting pairs of anatomical landmarks, and a set of computational routines for determining and applying an optimal linear transformation to generate the stitched image. Reconstruction of whole histological sections from images of slides containing smaller fragments is required in applications where preparation of whole sections of large tissue specimens is not feasible or efficient, and such whole mounts are required to facilitate (a) disease annotation and (b) image registration with radiological images. Unlike manual reassembly of image fragments in a general purpose image editing program (such as Photoshop), HistoStitcher© provides memory efficient operation on high resolution digitized histology images and a highly flexible stitching process capable of producing more accurate results in less time. Further, by parameterizing the series of transformations determined by the stitching process, the stitching parameters can be saved, loaded at a later time, refined, or reapplied to multi-resolution scans, or quickly transmitted to another site. In this paper, we describe in detail the design of HistoStitcher© and the mathematical routines used for calculating the optimal image transformation, and demonstrate its operation for stitching high resolution histology quadrants of a prostate specimen to form a digitally reassembled whole histology section, for 8 different patient studies. To evaluate stitching quality, a 6 point scoring scheme, which assesses the alignment and continuity of anatomical structures important for disease annotation, is employed by three independent expert pathologists. For 6 studies compared with this scheme, reconstructed sections
Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane
Lam, Royce K.; Smith, Jacob W.; Sheardy, Alex T.; Rizzuto, Anthony M.; Saykally, Richard J.; Shih, Orion; Prendergast, David
2014-06-21
The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles’ calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments.
NASA Astrophysics Data System (ADS)
Jex, Michal; Lotoreichik, Vladimir
2016-02-01
Let Λ ⊂ ℝ2 be a non-closed piecewise-C1 curve, which is either bounded with two free endpoints or unbounded with one free endpoint. Let u±|Λ ∈ L2(Λ) be the traces of a function u in the Sobolev space H1(ℝ2∖Λ) onto two faces of Λ. We prove that for a wide class of shapes of Λ the Schrödinger operator Hω Λ with δ'-interaction supported on Λ of strength ω ∈ L∞(Λ; ℝ) associated with the quadratic form H 1 ( R 2 ∖ Λ ) ∋ u ↦ ∫ R 2 |" separators=" ∇ u | 2 d x - ∫ Λ ω |" separators=" u + | Λ - u - | Λ | 2 d s has no negative spectrum provided that ω is pointwise majorized by a strictly positive function explicitly expressed in terms of Λ. If, additionally, the domain ℝ2∖Λ is quasi-conical, we show that σ ( Hω Λ ) = [ 0 , + ∞ ) . For a bounded curve Λ in our class and non-varying interaction strength ω ∈ ℝ, we derive existence of a constant ω∗ > 0 such that σ ( Hω Λ ) = [ 0 , + ∞ ) for all ω ∈ (-∞, ω∗]; informally speaking, bound states are absent in the weak coupling regime.
Ciccolini, M.; Denner, A.; Dittmaier, S.
2007-10-19
Radiative corrections of strong and electroweak interactions are presented at next-to-leading order for the production of a Higgs boson plus two hard jets via weak interactions at the CERN Large Hadron Collider. The calculation includes all weak-boson fusion and quark-antiquark annihilation diagrams as well as the corresponding interferences. The electroweak corrections, which are discussed here for the first time, reduce the cross sections by 5% and thus are of the same order of magnitude as the QCD corrections.
Kamionkowski, Marc; Profumo, Stefano
2008-12-31
Recent studies have considered modifications to the standard weakly interacting massive particle scenario in which the pair annihilation cross section (times relative velocity v) is enhanced by a factor 1/upsilon to approximately 10(-3) in the Galaxy, enough to explain several puzzling Galactic radiation signals. We show that in these scenarios a burst of weakly interacting massive particle annihilation occurs in the first collapsed dark-matter halos. We show that severe constraints to the annihilation cross section derive from measurements of the diffuse extragalactic radiation and from ionization and heating of the intergalactic medium. PMID:19437633
Roncaratti, L. F. Leal, L. A.; Silva, G. M. de; Pirani, F.; Aquilanti, V.; Gargano, R.
2014-10-07
We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.
Zhang, L; Wu, F; Lee, S C; Zhao, H; Zhang, L
2014-08-01
Absorption of an orally administered drug with pH-dependent solubility may be altered when it is coadministered with a gastric acid-reducing agent (ARA). Assessing a drug's potential for pH-dependent drug-drug interactions (DDIs), considering study design elements for such DDI studies, and interpreting and communicating study results in the drug labeling to guide drug dosing are important for drug development. We collected pertinent information related to new molecular entities approved from January 2003 to May 2013 by the US Food and Drug Administration for which clinical DDI studies with ARAs were performed. On the basis of assessments of data on pH solubility and in vivo DDIs with ARAs, we proposed a conceptual framework for assessing the need for clinical pH-dependent DDI studies for weak base drugs (WBDs). Important study design considerations include selection of ARAs and timing of dosing of an ARA relative to the WBD in a DDI study. Labeling implications for drugs having DDIs with ARAs are also illustrated. PMID:24733008
Buts, L; Dao-Thi, M H; Loris, R; Wyns, L; Etzler, M; Hamelryck, T
2001-05-25
The legume lectins are widely used as a model system for studying protein-carbohydrate and protein-protein interactions. They exhibit a fascinating quaternary structure variation, which becomes important when they interact with multivalent glycoconjugates, for instance those on cell surfaces. Recently, it has become clear that certain lectins form weakly associated oligomers. This phenomenon may play a role in the regulation of receptor crosslinking and subsequent signal transduction. The crystal structure of DB58, a dimeric lectin from the legume Dolichos biflorus reveals a separate dimer of a previously unobserved type, in addition to a tetramer consisting of two such dimers. This tetramer resembles that formed by DBL, the seed lectin from the same plant. A single amino acid substitution in DB58 affects the conformation and flexibility of a loop in the canonical dimer interface. This disrupts the formation of a stable DBL-like tetramer in solution, but does not prohibit its formation in suitable conditions, which greatly increases the possibilities for the cross-linking of multivalent ligands. The non-canonical DB58 dimer has a buried symmetrical alpha helix, which can be present in the crystal in either of two antiparallel orientations. Two existing structures and datasets for lectins with similar quaternary structures were reconsidered. A central alpha helix could be observed in the soybean lectin, but not in the leucoagglutinating lectin from Phaseolus vulgaris. The relative position and orientation of the carbohydrate-binding sites in the DB58 dimer may affect its ability to crosslink mulitivalent ligands, compared to the other legume lectin dimers. PMID:11491289
Fleischmann, Martin; Jones, James S; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred
2016-09-21
Reactions of the trinuclear Lewis acid perfluoro-ortho-phenylene)mercury [(o-HgC6F4)3] (1) with the polypnictogen complex [CpMo(CO)2(η(3)-P3)] (2) containing a cyclo-P3 ligand and the series of E2 complexes [{CpMo(CO)2}2(μ,η(2):η(2)-E2)] (E = P(3a), As(3b), Sb(3c), Bi(3d)) are reported. In all cases, the reaction products show very weak interactions between the En ligand complexes and the Lewis acid 1, as evidenced by their highly dynamic behaviour in solution and the formation of adducts in the solid state showing HgE contacts below the respective sum of the van der Waals radii. The complexes 2 (P3), 3a (P2) and 3b (As2) show interactions of only one pnictogen atom with all three Hg atoms of 1. The complex 3c (Sb2) forms two adducts with 1 showing either a side-on coordination of the Sb2 dumbbell towards Hg or an end-on coordination of both Sb atoms towards two independent molecules of 1. The Bi2 complex 3d shows an almost parallel alignment of the Bi2 dumbbell situated above the center of the planar Lewis acid 1. The arrangements of the E2 complex series towards 1 are rationalized with the help of electrostatic potential maps obtained by DFT calculations. Finally the structural characterizations of a new modification of the free Sb2 complex 3c, the Bi2 complex 3d, the starting material of its preparation [Bi{CpMo(CO)3}3] (4) and an unprecedented 'Cr4As5' cluster 5 are presented. PMID:27461890
NASA Astrophysics Data System (ADS)
Andriichenko, N. N.; Ermilov, A. Yu.
2013-08-01
The optimum version of the DFT-D class of methods (BHHLYP-D2, 6-31G*) is chosen to describe binding in a Xe-phenol system with the aim of subsequent KM/MM calculations for complex Xe-containing protein systems. It is shown that the stability of the Xe-phenol system is due to weak dispersion interactions not described in conventional approaches using the density functional. The MP2 approach using the (aug)-cc-pVTZ basis and Stuttgart pseudopotential, which yield the best reproduction of the characteristics of a Xe2 xenon dimer, is chosen as the reference standard. It is noted that the 2010 DFT-D3 methods underestimate the binding energy by a factor of nearly three, while DFT methods without dispersion corrections do not reproduce the stability of Xe2 and Xe-phenol systems. It is found that in the best version of calculations, BHHLYP-D2, the binding energy in Xe-phenol complex is estimated to be 2.7 kcal/mol versus the 3.1 kcal/mol found using the comparative approach. It is concluded that BHHLYP-D2 adequately reproduces the difference between the two conformers of the Xe-phenol complex and trend toward an increase in binding energy in the series of aromatic amino acids (phenylalanine, tyrosine, and tryptophan). DFT-D can also indicate the existence of excess conformers that are missing in systems according to more precise descriptions (MP2/(aug)-cc-pVTZ).
Mardirossian, Narbe; Head-Gordon, Martin
2016-09-13
The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. Overall, the main strength of the hybrid Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). As an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses. PMID:27537680
One-Pot N2C/C2C/N2N Ligation To Trap Weak Protein-Protein Interactions.
Zhao, Lei; Ehrt, Christiane; Koch, Oliver; Wu, Yao-Wen
2016-07-01
Weak transient protein-protein interactions (PPIs) play an essential role in cellular dynamics. However, it is challenging to obtain weak protein complexes owing to their short lifetime. Herein we present a general and facile method for trapping weak PPIs in an unbiased manner using proximity-induced ligations. To expand the chemical ligation spectrum, we developed novel N2N (N-terminus to N-terminus) and C2C (C-terminus to C-terminus) ligation approaches. By using N2C (N-terminus to C-terminus), N2N, and C2C ligations in one pot, the interacting proteins were linked. The weak Ypt1:GDI interaction drove C2C ligation with t1/2 of 4.8 min and near quantitative conversion. The Ypt1-GDI conjugate revealed that binding of Ypt1 G-domain causes opening of the lipid-binding site of GDI, which can accommodate one prenyl group, giving insights into Rab membrane recycling. Moreover, we used this strategy to trap the KRas homodimer, which plays an important role in Ras signaling. PMID:27213482
Dzuba, V. A.; Flambaum, V. V.; Harabati, C.
2011-11-15
The relations between matrix elements of different (P,T)-odd weak interactions are derived. We demonstrate that similar relations hold for parity-nonconserving transition amplitudes and electron electric dipole moments (EDMs) of atoms and molecules. This allows one to express P- and T-odd effects in many-electron systems caused by different symmetry-breaking mechanisms via each other using simple analytical formulas. We use these relations for the interpretation of the anapole moment measurements in cesium and thallium and for the analysis of the relative contributions of the scalar-pseudoscalar CP-odd weak interaction and electron EDMs to the EDMs of Cs, Tl, Fr, and other atoms and many polar molecules (YbF, PbO, ThO, etc.). Model-independent limits on electron EDMs and the parameter of the scalar-pseudoscalar CP-odd interaction are found from the analysis of the EDM measurements for Tl and YbF.
Pick, Fraser S; Thompson, John R; Savard, Didier S; Leznoff, Daniel B; Fryzuk, Michael D
2016-04-18
A ferrocene-based bis(phosphinoamine) fc(NHP(i)Pr2)2 has been deprotonated and used in salt metathesis reactions to form dimeric complexes ([fc(NP(i)Pr2)2]M)2 (M = Fe, Co). A novel coordination environment for Co(II) is observed including a weak but significant Fe-Co interaction, which was characterized using X-ray crystallography, Mössbauer spectroscopy, and VT-magnetometry. Density functional theory (DFT) calculations including natural bond order analysis provides further support for the interaction and suggests a combination of Fe → Co and Co → Fe interactions. PMID:27019020
A statistical model of ChIA-PET data for accurate detection of chromatin 3D interactions
Paulsen, Jonas; Rødland, Einar A.; Holden, Lars; Holden, Marit; Hovig, Eivind
2014-01-01
Identification of three-dimensional (3D) interactions between regulatory elements across the genome is crucial to unravel the complex regulatory machinery that orchestrates proliferation and differentiation of cells. ChIA-PET is a novel method to identify such interactions, where physical contacts between regions bound by a specific protein are quantified using next-generation sequencing. However, determining the significance of the observed interaction frequencies in such datasets is challenging, and few methods have been proposed. Despite the fact that regions that are close in linear genomic distance have a much higher tendency to interact by chance, no methods to date are capable of taking such dependency into account. Here, we propose a statistical model taking into account the genomic distance relationship, as well as the general propensity of anchors to be involved in contacts overall. Using both real and simulated data, we show that the previously proposed statistical test, based on Fisher's exact test, leads to invalid results when data are dependent on genomic distance. We also evaluate our method on previously validated cell-line specific and constitutive 3D interactions, and show that relevant interactions are significant, while avoiding over-estimating the significance of short nearby interactions. PMID:25114054
NASA Technical Reports Server (NTRS)
Fennelly, A. J.
1981-01-01
The TH epsilon mu formalism, used in analyzing equivalence principle experiments of metric and nonmetric gravity theories, is adapted to the description of the electroweak interaction using the Weinberg-Salam unified SU(2) x U(1) model. The use of the TH epsilon mu formalism is thereby extended to the weak interactions, showing how the gravitational field affects W sub mu (+ or -1) and Z sub mu (0) boson propagation and the rates of interactions mediated by them. The possibility of a similar extension to the strong interactions via SU(5) grand unified theories is briefly discussed. Also, using the effects of the potentials on the baryon and lepton wave functions, the effects of gravity on transition mediated in high-A atoms which are electromagnetically forbidden. Three possible experiments to test the equivalence principle in the presence of the weak interactions, which are technologically feasible, are then briefly outline: (1) K-capture by the FE nucleus (counting the emitted X-ray); (2) forbidden absorption transitions in high-A atoms' vapor; and (3) counting the relative Beta-decay rates in a suitable alpha-beta decay chain, assuming the strong interactions obey the equivalence principle.
Geringer-Sameth, Alex; Koushiappas, Savvas M
2011-12-01
Dwarf spheroidal galaxies are known to be excellent targets for the detection of annihilating dark matter. We present new limits on the annihilation cross section of weakly interacting massive particles based on the joint analysis of seven Milky Way dwarfs using a frequentist Neyman construction and Pass 7 data from the Fermi Gamma-Ray Space Telescope. We exclude generic weakly interacting massive particle candidates annihilating into bb with a mass less than 40 GeV that reproduce the observed relic abundance. To within 95% systematic errors on the dark matter distribution within the dwarfs, the mass lower limit can be as low as 19 GeV or as high as 240 GeV. For annihilation into τ+ τ-, these limits become 19, 13, and 80 GeV, respectively. PMID:22242988
Jing, Yumei; Huang, Shaoyun; Zhang, Kai; Wu, Jinxiong; Guo, Yunfan; Peng, Hailin; Liu, Zhongfan; Xu, H Q
2016-01-28
The electron transport properties of a topological insulator Bi2Se3 thin film are studied in Hall-bar geometry. The film with a thickness of 10 nm is grown by van der Waals epitaxy on fluorophlogopite mica and Hall-bar devices are fabricated from the as-grown film directly on the mica substrate. Weak antilocalization and electron-electron interaction effects are observed and analyzed at low temperatures. The phase-coherence length extracted from the measured weak antilocalization characteristics shows a strong power-law increase with decreasing temperature and the transport in the film is shown to occur via coupled multiple (topological surface and bulk states) channels. The conductivity of the film shows a logarithmical decrease with decreasing temperature and thus the electron-electron interaction plays a dominant role in quantum corrections to the conductivity of the film at low temperatures. PMID:26733366
NASA Astrophysics Data System (ADS)
Jing, Yumei; Huang, Shaoyun; Zhang, Kai; Wu, Jinxiong; Guo, Yunfan; Peng, Hailin; Liu, Zhongfan; Xu, H. Q.
2016-01-01
The electron transport properties of a topological insulator Bi2Se3 thin film are studied in Hall-bar geometry. The film with a thickness of 10 nm is grown by van der Waals epitaxy on fluorophlogopite mica and Hall-bar devices are fabricated from the as-grown film directly on the mica substrate. Weak antilocalization and electron-electron interaction effects are observed and analyzed at low temperatures. The phase-coherence length extracted from the measured weak antilocalization characteristics shows a strong power-law increase with decreasing temperature and the transport in the film is shown to occur via coupled multiple (topological surface and bulk states) channels. The conductivity of the film shows a logarithmical decrease with decreasing temperature and thus the electron-electron interaction plays a dominant role in quantum corrections to the conductivity of the film at low temperatures.
Not Available
1991-12-31
This report discusses research in high energy physics on the following topics: rare b decays; flavor changing top decays;neutrino physics; standard model; cp violation; heavy ion collisions; electron-positron interactions; electron-hadron interactions; hadron-hadron interactions; deep inelastic scattering; and grand unified models. (LSP)
Cao, Zhen; Voth, Gregory A.
2015-12-28
It is essential to be able to systematically construct coarse-grained (CG) models that can efficiently and accurately reproduce key properties of higher-resolution models such as all-atom. To fulfill this goal, a mapping operator is needed to transform the higher-resolution configuration to a CG configuration. Certain mapping operators, however, may lose information related to the underlying electrostatic properties. In this paper, a new mapping operator based on the centers of charge of CG sites is proposed to address this issue. Four example systems are chosen to demonstrate this concept. Within the multiscale coarse-graining framework, CG models that use this mapping operator are found to better reproduce the structural correlations of atomistic models. The present work also demonstrates the flexibility of the mapping operator and the robustness of the force matching method. For instance, important functional groups can be isolated and emphasized in the CG model.
Xiao, Li; Wang, Changhao; Ye, Xiang; Luo, Ray
2016-08-25
Continuum solvation modeling based upon the Poisson-Boltzmann equation (PBE) is widely used in structural and functional analysis of biomolecules. In this work, we propose a charge-central interpretation of the full nonlinear PBE electrostatic interactions. The validity of the charge-central view or simply charge view, as formulated as a vacuum Poisson equation with effective charges, was first demonstrated by reproducing both electrostatic potentials and energies from the original solvated full nonlinear PBE. There are at least two benefits when the charge-central framework is applied. First the convergence analyses show that the use of polarization charges allows a much faster converging numerical procedure for electrostatic energy and forces calculation for the full nonlinear PBE. Second, the formulation of the solvated electrostatic interactions as effective charges in vacuum allows scalable algorithms to be deployed for large biomolecular systems. Here, we exploited the charge-view interpretation and developed a particle-particle particle-mesh (P3M) strategy for the full nonlinear PBE systems. We also studied the accuracy and convergence of solvation forces with the charge-view and the P3M methods. It is interesting to note that the convergence of both the charge-view and the P3M methods is more rapid than the original full nonlinear PBE method. Given the developments and validations documented here, we are working to adapt the P3M treatment of the full nonlinear PBE model to molecular dynamics simulations. PMID:27146097
Su, Lei; Song, Wei-Chao; Zhao, Jiong-Peng; Liu, Fu-Chen
2016-07-01
A new single-chain-magnet (SCM), [Co4(OMe)3(HCO2)2(L)3·DMF]n, (L = 4-(pyridin-4-yl)benzolate) (2), was constructed by changing the spacers of a weak ferromagnetic single-chain magnet [Co8(OMe)6(HCO2)4(isonic)6·H2O]n (1). By contrasting the magnetism of the two complexes, it is found that the longer the linker the stronger the magnetic properties. PMID:27333437
Niknam, A. R.; Hashemzadeh, M.; Shokri, B.
2009-03-15
The effect of the weakly relativistic ponderomotive force in the interaction of an intense laser pulse with an underdense plasma is studied. This force modifies the electron density distribution. Furthermore, the existence of intense laser pulses in plasma causes the electron relativistic mass to appear and, consequently, the plasma frequency decreases. It is clear that the electron temperature also affects the dielectric permittivity of plasma. By considering the weakly relativistic and ponderomotive effects, the nonlinear dielectric permittivity of plasma is obtained. Taking into account the Maxwell equations and the nonlinear dielectric permittivity, the electric and magnetic field profiles in plasma are investigated. It is shown that the electromagnetic field profiles deviate from sinusoidal structure. Also, the steepening of the electron density profile decreases by increasing the electron temperature and decreasing the laser pulse intensity. The wavelength of oscillations decreases by increasing the energy flux. Finally, it is found that the electric and magnetic field profiles are lengthened by increasing the electron temperature.
Sutton, Christopher; Gray, Matthew T.; Brunsfeld, Max; Parrish, Robert M.; Sherrill, C. David; Sears, John S.; Brédas, Jean-Luc E-mail: thomas.koerzdoerfer@uni-potsdam.de; Körzdörfer, Thomas E-mail: thomas.koerzdoerfer@uni-potsdam.de
2014-02-07
We investigate the torsion potentials in two prototypical π-conjugated polymers, polyacetylene and polydiacetylene, as a function of chain length using different flavors of density functional theory. Our study provides a quantitative analysis of the delocalization error in standard semilocal and hybrid density functionals and demonstrates how it can influence structural and thermodynamic properties. The delocalization error is quantified by evaluating the many-electron self-interaction error (MESIE) for fractional electron numbers, which allows us to establish a direct connection between the MESIE and the error in the torsion barriers. The use of non-empirically tuned long-range corrected hybrid functionals results in a very significant reduction of the MESIE and leads to an improved description of torsion barrier heights. In addition, we demonstrate how our analysis allows the determination of the effective conjugation length in polyacetylene and polydiacetylene chains.
Touboul, David; Maillard, Ludovic; Grässlin, Anja; Moumne, Roba; Seitz, Markus; Robinson, John; Zenobi, Renato
2009-02-01
Mass spectrometry, and especially electrospray ionization, is now an efficient tool to study noncovalent interactions between proteins and inhibitors. It is used here to study the interaction of some weak inhibitors with the NCoA-1/STAT6 protein with K(D) values in the microM range. High signal intensities corresponding to some nonspecific electrostatic interactions between NCoA-1 and the oppositely charged inhibitors were observed by nanoelectrospray mass spectrometry, due to the use of high ligand concentrations. Diverse strategies have already been developed to deal with nonspecific interactions, such as controlled dissociation in the gas phase, mathematical modeling, or the use of a reference protein to monitor the appearance of nonspecific complexes. We demonstrate here that this last methodology, validated only in the case of neutral sugar-protein interactions, i.e., where dipole-dipole interactions are crucial, is not relevant in the case of strong electrostatic interactions. Thus, we developed a novel strategy based on half-maximal inhibitory concentration (IC(50)) measurements in a competitive assay with readout by nanoelectrospray mass spectrometry. IC(50) values determined by MS were finally converted into dissociation constants that showed very good agreement with values determined in the liquid phase using a fluorescence polarization assay. PMID:18996720
Nehaniv, Chrystopher L; Rhodes, John; Egri-Nagy, Attila; Dini, Paolo; Morris, Eric Rothstein; Horváth, Gábor; Karimi, Fariba; Schreckling, Daniel; Schilstra, Maria J
2015-07-28
Interaction computing is inspired by the observation that cell metabolic/regulatory systems construct order dynamically, through constrained interactions between their components and based on a wide range of possible inputs and environmental conditions. The goals of this work are to (i) identify and understand mathematically the natural subsystems and hierarchical relations in natural systems enabling this and (ii) use the resulting insights to define a new model of computation based on interactions that is useful for both biology and computation. The dynamical characteristics of the cellular pathways studied in systems biology relate, mathematically, to the computational characteristics of automata derived from them, and their internal symmetry structures to computational power. Finite discrete automata models of biological systems such as the lac operon, the Krebs cycle and p53-mdm2 genetic regulation constructed from systems biology models have canonically associated algebraic structures (their transformation semigroups). These contain permutation groups (local substructures exhibiting symmetry) that correspond to 'pools of reversibility'. These natural subsystems are related to one another in a hierarchical manner by the notion of 'weak control'. We present natural subsystems arising from several biological examples and their weak control hierarchies in detail. Finite simple non-Abelian groups are found in biological examples and can be harnessed to realize finitary universal computation. This allows ensembles of cells to achieve any desired finitary computational transformation, depending on external inputs, via suitably constrained interactions. Based on this, interaction machines that grow and change their structure recursively are introduced and applied, providing a natural model of computation driven by interactions. PMID:26078349
Hashemifar, Somaye; Xu, Jinbo
2014-01-01
Motivation: High-throughput experimental techniques have produced a large amount of protein–protein interaction (PPI) data. The study of PPI networks, such as comparative analysis, shall benefit the understanding of life process and diseases at the molecular level. One way of comparative analysis is to align PPI networks to identify conserved or species-specific subnetwork motifs. A few methods have been developed for global PPI network alignment, but it still remains challenging in terms of both accuracy and efficiency. Results: This paper presents a novel global network alignment algorithm, denoted as HubAlign, that makes use of both network topology and sequence homology information, based upon the observation that topologically important proteins in a PPI network usually are much more conserved and thus, more likely to be aligned. HubAlign uses a minimum-degree heuristic algorithm to estimate the topological and functional importance of a protein from the global network topology information. Then HubAlign aligns topologically important proteins first and gradually extends the alignment to the whole network. Extensive tests indicate that HubAlign greatly outperforms several popular methods in terms of both accuracy and efficiency, especially in detecting functionally similar proteins. Availability: HubAlign is available freely for non-commercial purposes at http://ttic.uchicago.edu/∼hashemifar/software/HubAlign.zip Contact: jinboxu@gmail.com Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25161231
NASA Astrophysics Data System (ADS)
Crivellini, A.
2016-02-01
This paper deals with the numerical performance of a sponge layer as a non-reflective boundary condition. This technique is well known and widely adopted, but only recently have the reasons for a sponge failure been recognised, in analysis by Mani. For multidimensional problems, the ineffectiveness of the method is due to the self-reflections of the sponge occurring when it interacts with an oblique acoustic wave. Based on his theoretical investigations, Mani gives some useful guidelines for implementing effective sponge layers. However, in our opinion, some practical indications are still missing from the current literature. Here, an extensive numerical study of the performance of this technique is presented. Moreover, we analyse a reduced sponge implementation characterised by undamped partial differential equations for the velocity components. The main aim of this paper relies on the determination of the minimal width of the layer, as well as of the corresponding strength, required to obtain a reflection error of no more than a few per cent of that observed when solving the same problem on the same grid, but without employing the sponge layer term. For this purpose, a test case of computational aeroacoustics, the single airfoil gust response problem, has been addressed in several configurations. As a direct consequence of our investigation, we present a well documented and highly validated reference solution for the far-field acoustic intensity, a result that is not well established in the literature. Lastly, the proof of the accuracy of an algorithm for coupling sub-domains solved by the linear and non-liner Euler governing equations is given. This result is here exploited to adopt a linear-based sponge layer even in a non-linear computation.
Camera, Stefano; Fornasa, Mattia; Fornengo, Nicolao; Regis, Marco
2013-07-01
Both cosmic shear and cosmological gamma-ray emission stem from the presence of dark matter (DM) in the universe: DM structures are responsible for the bending of light in the weak-lensing regime and those same objects can emit gamma rays, either because they host astrophysical sources (active galactic nuclei or star-forming galaxies) or directly by DM annihilations (or decays, depending on the properties of the DM particle). Such gamma rays should therefore exhibit strong correlation with the cosmic shear signal. In this Letter, we compute the cross-correlation angular power spectrum of cosmic shear and gamma rays produced by the annihilation/decay of weakly interacting massive particle DM, as well as by astrophysical sources. We show that this observable provides novel information on the composition of the extragalactic gamma-ray background (EGB), since the amplitude and shape of the cross-correlation signal strongly depend on which class of sources is responsible for the gamma-ray emission. If the DM contribution to the EGB is significant (at least in a definite energy range), although compatible with current observational bounds, its strong correlation with the cosmic shear makes such signal potentially detectable by combining Fermi Large Area Telescope data with forthcoming galaxy surveys, like the Dark Energy Survey and Euclid. At the same time, the same signal would demonstrate that the weak-lensing observables are indeed due to particle DM matter and not to possible modifications of general relativity.
Freely Decaying Weak Turbulence for Sea Surface Gravity Waves
NASA Astrophysics Data System (ADS)
Onorato, M.; Osborne, A. R.; Serio, M.; Resio, D.; Pushkarev, A.; Zakharov, V. E.; Brandini, C.
2002-09-01
We study the long-time evolution of deep-water ocean surface waves in order to better understand the behavior of the nonlinear interaction processes that need to be accurately predicted in numerical models of wind-generated ocean surface waves. Of particular interest are those nonlinear interactions which are predicted by weak turbulence theory to result in a wave energy spectrum of the form of |k|-2.5. We numerically implement the primitive Euler equations for surface waves and demonstrate agreement between weak turbulence theory and the numerical results.
Freely decaying weak turbulence for sea surface gravity waves.
Onorato, M; Osborne, A R; Serio, M; Resio, D; Pushkarev, A; Zakharov, V E; Brandini, C
2002-09-30
We study the long-time evolution of deep-water ocean surface waves in order to better understand the behavior of the nonlinear interaction processes that need to be accurately predicted in numerical models of wind-generated ocean surface waves. Of particular interest are those nonlinear interactions which are predicted by weak turbulence theory to result in a wave energy spectrum of the form of [k](-2.5). We numerically implement the primitive Euler equations for surface waves and demonstrate agreement between weak turbulence theory and the numerical results. PMID:12366050
Blowup of a weak beam due to interaction with a strong beam in an electron storage ring
Kheifets, S.
1983-07-01
The theoretical description of the beam-beam interaction presented here takes into account all the important features of the beam-beam phenomenon: the nonlinear beam-beam force and its dependnce on both transverse coordinates, damping of the oscillations, presence of noise in the particle motion, in particular the quantum noise in its synchrotron radiation, actual machine functions, layout and the number B of interaction points, and to some extent imperfections present in the machine. The model deals not with a separate particle, but with the beam as a whole using phase space distribution functions and the average (unperturbed and perturbed) characteristics of the bunch.
NASA Astrophysics Data System (ADS)
Zhang, Dong-Rui; Jiang, Wei-Zhou; Wei, Si-Na; Yang, Rong-Yao; Xiang, Qian-Fei
2016-05-01
It has been a puzzle whether quarks may exist in the interior of massive neutron stars, since the hadron-quark phase transition softens the equation of state (EOS) and reduce the neutron star (NS) maximum mass very significantly. In this work, we consider the light U-boson that increases the NS maximum mass appreciably through its weak coupling to fermions. The inclusion of the U-boson may thus allow the existence of the quark degrees of freedom in the interior of large mass neutron stars. Unlike the consequence of the U-boson in hadronic matter, the stiffening role of the U-boson in the hybrid EOS is not sensitive to the choice of the hadron phase models. In addition, we have also investigated the effect of the effective QCD correction on the hybrid EOS. This correction may reduce the coupling strength of the U-boson that is needed to satisfy NS maximum mass constraint. While the inclusion of the U-boson also increases the NS radius significantly, we find that appropriate in-medium effects of the U-boson may reduce the NS radii significantly, satisfying both the NS radius and mass constraints well.
NASA Astrophysics Data System (ADS)
Yue, Q.; Zhao, W.; Kang, K. J.; Cheng, J. P.; Li, Y. J.; Lin, S. T.; Chang, J. P.; Chen, N.; Chen, Q. H.; Chen, Y. H.; Chuang, Y. C.; Deng, Z.; Du, Q.; Gong, H.; Hao, X. Q.; He, H. J.; He, Q. J.; Huang, H. X.; Huang, T. R.; Jiang, H.; Li, H. B.; Li, J. M.; Li, J.; Li, J.; Li, X.; Li, X. Y.; Li, Y. L.; Liao, H. Y.; Lin, F. K.; Liu, S. K.; Lü, L. C.; Ma, H.; Mao, S. J.; Qin, J. Q.; Ren, J.; Ren, J.; Ruan, X. C.; Shen, M. B.; Singh, L.; Singh, M. K.; Soma, A. K.; Su, J.; Tang, C. J.; Tseng, C. H.; Wang, J. M.; Wang, L.; Wang, Q.; Wong, H. T.; Wu, S. Y.; Wu, Y. C.; Wu, Y. C.; Xianyu, Z. Z.; Xiao, R. Q.; Xing, H. Y.; Xu, F. Z.; Xu, Y.; Xu, X. J.; Xue, T.; Yang, L. T.; Yang, S. W.; Yi, N.; Yu, C. X.; Yu, H.; Yu, X. Z.; Zeng, X. H.; Zeng, Z.; Zhang, L.; Zhang, Y. H.; Zhao, M. G.; Zhou, Z. Y.; Zhu, J. J.; Zhu, W. B.; Zhu, X. Z.; Zhu, Z. H.; CDEX Collaboration
2014-11-01
We report results of a search for light dark matter weakly interacting massive particles (WIMPs) with CDEX-1 experiment at the China Jinping Underground Laboratory, based on 53.9 kg-days of data from a p -type point-contact germanium detector enclosed by a NaI(Tl) crystal scintillator as anti-Compton detector. The event rate and spectrum above the analysis threshold of 475 eVee are consistent with the understood background model. Part of the allowed regions for WIMP-nucleus coherent elastic scattering at WIMP mass of 6-20 GeV are probed and excluded. Independent of interaction channels, this result contradicts the interpretation that the anomalous excesses of the CoGeNT experiment are induced by dark matter, since identical detector techniques are used in both experiments.
Agnese, R.; Anderson, A. J.; Asai, M.; Balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, Priscilla B.; Daal, M.; Di Stefano, P. C.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, Jeter C.; Harris, H. R.; Hertel, S. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Kiveni, M.; Koch, K.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, N.; Moffatt, R. A.; Moore, D. C.; Nadeau, P.; Nelson, R. H.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redi, P.; Reisetter, A.; Ricci, Y.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, Richard; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.
2014-01-27
SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV/c^{2}.
NASA Astrophysics Data System (ADS)
Agnese, R.; Anderson, A. J.; Asai, M.; Balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, P.; Daal, M.; Di Stefano, P. C. F.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, J.; Harris, H. R.; Hertel, S. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Kiveni, M.; Koch, K.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, N.; Moffatt, R. A.; Moore, D. C.; Nadeau, P.; Nelson, R. H.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redl, P.; Reisetter, A.; Ricci, Y.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, R. W.; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.; SuperCDMS Collaboration
2014-01-01
SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of 170 eVee (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV /c2.
Hilbert, L.B. Jr.; Fredrich, J.T.; Bruno, M.S.; Deitrick, G.L.; Rouffignac, E.P. de
1996-05-01
In this paper the authors present the results of a coupled nonlinear finite element geomechanics model for reservoir compaction and well-to-well interactions for the high-porosity, low strength diatomite reservoirs of the Belridge field near Bakersfield, California. They show that well damage and failures can occur under the action of two distinct mechanisms: shear deformations induced by pore compaction, and subsidence, and shear deformations due to well-to-well interactions during production or water injection. They show such casting damage or failure can be localized to weak layers that slide or slip under shear due to subsidence. The magnitude of shear displacements and surface subsidence agree with field observations.
NASA Astrophysics Data System (ADS)
Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Herzog, P.; Knecht, A.; Köster, U.; Kraev, I. S.; Porobic, T.; Prashanth, P. N.; Towner, I. S.; Tramm, C.; Zákoucký, D.; Severijns, N.
2014-09-01
Background: Precision measurements at low energy search for physics beyond the standard model in a way complementary to searches for new particles at colliders. In the weak sector the most general β-decay Hamiltonian contains, besides vector and axial-vector terms, also scalar, tensor, and pseudoscalar terms. Current limits on the scalar and tensor coupling constants from neutron and nuclear β decay are on the level of several percent. Purpose: Extracting new information on tensor coupling constants by measuring the β-asymmetry parameter in the pure Gamow-Teller decay of Cu67, thereby testing the V-A structure of the weak interaction. Method: An iron sample foil into which the radioactive nuclei were implanted was cooled down to mK temperatures in a 3He-4He dilution refrigerator. An external magnetic field of 0.1 T, in combination with the internal hyperfine magnetic field, oriented the nuclei. The anisotropic β radiation was observed with planar high-purity germanium detectors operating at a temperature of about 10 K. An on-line measurement of the β asymmetry of Cu68 was performed as well for normalization purposes. Systematic effects were investigated using geant4 simulations. Results: The experimental value, Ã=0.587(14), is in agreement with the standard model value of 0.5991(2) and is interpreted in terms of physics beyond the standard model. The limits obtained on possible tensor-type charged currents in the weak interaction Hamiltonian are -0.045<(CT+CT')/CA<0.159 (90% C.L.). Conclusions: The obtained limits are comparable to limits from other correlation measurements in nuclear β decay and contribute to further constraining tensor coupling constants.
NASA Astrophysics Data System (ADS)
Kim, Woojin; Lee, Injae; Choi, Haecheon
2015-11-01
We present a weak coupling approach for the fluid-structure interaction using a discrete-forcing immersed boundary method. The incompressible Navier-Stokes equations and the motion of a solid body are based on the Eulerian and Lagrangian coordinates, respectively. A semi-implicit Euler method is applied to the governing equation of a solid body for obtaining provisional position and velocity of a solid body prior to implicitly solving each governing equation. Then, both equations are implicitly solved to obtain a sufficiently large computational time step size. The present weak-coupling approach shows a second-order temporal accuracy and stable solutions for the problems with a low density ratio (fluid to solid) without requiring an iterative method. With the present method, we simulate several fluid-structure interaction problems including the flows around a freely vibrating circular cylinder, a flexible beam attached to a circular cylinder, a flapping flag, a flexible plate, and an elastic vocal fold. The results obtained agree well with those from previous studies. All the simulations are conducted at maximum CFL numbers of 1.0-1.5. Supported by NRF-2012M2A8A4055647 and NRF-2014M3C1B1033848.
Weakly supervised glasses removal
NASA Astrophysics Data System (ADS)
Wang, Zhicheng; Zhou, Yisu; Wen, Lijie
2015-03-01
Glasses removal is an important task on face recognition, in this paper, we provide a weakly supervised method to remove eyeglasses from an input face image automatically. We choose sparse coding as face reconstruction method, and optical flow to find exact shape of glasses. We combine the two processes iteratively to remove glasses more accurately. The experimental results reveal that our method works much better than these algorithms alone, and it can remove various glasses to obtain natural looking glassless facial images.
Brown, Grant E; Elvidge, Chris K; Ferrari, Maud C O; Chivers, Douglas P
2012-11-15
The ability of prey to recognize predators is a fundamental prerequisite to avoid being eaten. Indeed, many prey animals learn to distinguish species that pose a threat from those that do not. Once the prey has learned the identity of one predator, it may generalize this recognition to similar predators with which the prey has no experience. The ability to generalize reduces the costs associated with learning and further enhances the ability of the prey to avoid relevant threats. For many aquatic organisms, recognition of predators is based on odor signatures, consequently any anthropogenic alteration in water chemistry has the potential to impair recognition and learning of predators. Here we explored whether episodic acidification could influence the ability of juvenile rainbow trout to learn to recognize an unknown predator and then generalize this recognition to a closely related predator. Trout were conditioned to recognize the odor of pumpkinseed sunfish under circumneutral (~pH 7) conditions, and then tested for recognition of pumpkinseed or longear sunfish under both neutral or weakly acidic (~pH 6) conditions. When tested for a response to pumpkinseed odor, we found no significant effect of predator odor pH: trout responded similarly regardless of pH. Moreover, under neutral conditions, trout were able to generalize their recognition to the odor of longear sunfish. However, the trout could not generalize their recognition of the longear sunfish under acidic conditions. Given the widespread occurrence of anthropogenic acidification, acid-mediated impairment of predator recognition and generalization may be a pervasive problem for freshwater salmonid populations and other aquatic organisms. PMID:23063639
Furusawa, Shun; Yamada, Shoichi; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Suzuki, Hideyuki
2014-05-02
We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability. The time evolutions of shock waves are calculated with a simple light-bulb approximation for the neutrino transport and a multi-nuclei equation of state. The neutrino absorptions and inelastic interactions with deuterons, tritons, helions and alpha particles are taken into account in the hydrodynamical simulations in addition to the ordinary charged-current interactions with nucleons. Axial symmetry is assumed but no equatorial symmetry is imposed. We show that the heating rates of deuterons reach as high as ∼ 10% of those of nucleons around the bottom of the gain region. On the other hands, alpha particles heat the matter near the shock wave, which is important when the shock wave expands and density and temperature of matter become low. It is also found that the models with heating by light nuclei have different evolutions from those without it in non-linear evolution phase. The matter in the gain region has various densities and temperatures and there appear regions that are locally rich in deuterons and alpha particles. These results indicate that the inelastic reactions of light nuclei, especially deuterons, should be incorporated in the simulations of core-collapse supernovae.
NASA Astrophysics Data System (ADS)
Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Yamada, Shoichi; Suzuki, Hideyuki
2014-05-01
We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability. The time evolutions of shock waves are calculated with a simple light-bulb approximation for the neutrino transport and a multi-nuclei equation of state. The neutrino absorptions and inelastic interactions with deuterons, tritons, helions and alpha particles are taken into account in the hydrodynamical simulations in addition to the ordinary charged-current interactions with nucleons. Axial symmetry is assumed but no equatorial symmetry is imposed. We show that the heating rates of deuterons reach as high as ˜ 10% of those of nucleons around the bottom of the gain region. On the other hands, alpha particles heat the matter near the shock wave, which is important when the shock wave expands and density and temperature of matter become low. It is also found that the models with heating by light nuclei have different evolutions from those without it in non-linear evolution phase. The matter in the gain region has various densities and temperatures and there appear regions that are locally rich in deuterons and alpha particles. These results indicate that the inelastic reactions of light nuclei, especially deuterons, should be incorporated in the simulations of core-collapse supernovae.
Observation of a double C-H···π interaction in the CH2ClF···HCCH weakly bound complex.
Elmuti, Lena F; Peebles, Rebecca A; Peebles, Sean A; Steber, Amanda L; Neill, Justin L; Pate, Brooks H
2011-08-21
The structure of the CH(2)ClF···HCCH dimer has been determined using both chirped-pulse and resonant cavity Fourier-transform microwave spectroscopy. The complex has C(s) symmetry and contains both a double C-H···π interaction, in which one π-bond acts as acceptor to two hydrogen atoms from the CH(2)ClF donor, and a weak C-H···Cl interaction, with acetylene as the donor. Analysis of the rotational spectra of four isotopologues (CH(2)(35)ClF···H(12)C(12)CH, CH(2)(37)ClF···H(12)C(12)CH, CH(2)(35)ClF···H(13)C(13)CH, and CH(2)(37)ClF-H(13)C(13)CH) has led to a structure with C-H···π distances of 3.236(6) Å and a C-H···Cl distance of 3.207(22) Å, in good agreement with ab initio calculations at the MP2/6-311++G(2d,2p) level. Both weak contacts are longer than those observed in similar complexes containing a single C-H···π interaction that lies in the C(s) plane; however, this appears to be the first double C-H···π contact to be studied by microwave spectroscopy, so there is little data for direct comparison. The rotational and chlorine nuclear quadrupole coupling constants for the most abundant isotopologue are: A = 5262.899(14) MHz, B = 1546.8074(10) MHz, C = 1205.4349(7) MHz, χ(aa) = 28.497(5) MHz, χ(bb) = -65.618(13) MHz, and χ(cc) = 37.121(8) MHz. PMID:21597626
NASA Astrophysics Data System (ADS)
Hanke, Felix; Dyer, Matthew S.; Björk, Jonas; Persson, Mats
2012-10-01
We have investigated the performance of popular density functionals that include van der Waals interactions for the experimentally well-characterized problem of ethene (C2H4) adsorbed on the low-index surfaces of copper. This set of functionals does not only include three van der Waals density functionals—vdwDF-PBE, vdwDF-revPBE and optB86b-vdwDF—and two dispersion-corrected functionals—Grimme and TS-but also local and semi-local functionals such as LDA and PBE. The adsorption system of ethene on copper was chosen because it is a weakly chemisorbed system for which the vdW interactions are expected to give a significant contribution to the adsorption energy. Overall the density functionals that include vdW interactions increased substantially the adsorption energies compared to the PBE density functional but predicted the same adsorption sites and very similar C-C bonding distances except for two of the van der Waals functionals. The top adsorption site was predicted almost exclusively for all functionals on the (110), (100) and (111) surfaces, which is in agreement with experiment for the (110) surface but not for the (100) surface. On the (100) surface, all functionals except two van der Waals density functionals singled out the observed cross-hollow site from the calculated C-C bonding distances and adsorption heights. On the top sites on the (110) surface and the cross-hollow site on the Cu(100) surface, the ethene molecule was found to form a weak chemisorption bond. On the (111) surface, all functionals gave a C-C bonding distance and an adsorption height more typical for physisorption, in agreement with experiments.
Suzuki, M.
1988-04-01
Dynamical mechanism of composite W and Z is studied in a 1/N field theory model with four-fermion interactions in which global weak SU(2) symmetry is broken explicitly by electromagnetic interaction. Issues involved in such a model are discussed in detail. Deviation from gauge coupling due to compositeness and higher order loop corrections are examined to show that this class of models are consistent not only theoretically but also experimentally.
Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari
2010-01-01
THE SERIES OF HALOANILINIUM AND HALOPYRIDINIUM SALTS: 4-IPhNH₃Cl (1), 4-IPhNH₃Br (5), 4-IPhNH₃H₂PO₄ (6), 4-ClPhNH₃H₂PO₄ (8), 3-IPyBnCl (9), 3-IPyHCl (10) and 3-IPyH-5NIPA (3-iodopyridinium 5-nitroisophthalate, 13), where hydrogen or/and halogen bonding represents the most relevant non-covalent interactions, has been prepared and characterized by single crystal X-ray diffraction. This series was further complemented by extracting some relevant crystal structures: 4-BrPhNH₃Cl (2, CCDC ref. code TAWRAL), 4-ClPhNH₃Cl (3, CURGOL), 4-FPhNH₃Cl (4, ANLCLA), 4-BrPhNH₃H₂PO₄, (7, UGISEI), 3-BrPyHCl, (11, CIHBAX) and 3-ClPyHCl, (12, VOQMUJ) from Cambridge Structural Database for sake of comparison. Based on the X-ray data it was possible to highlight the balance between non-covalent forces acting in these systems, where the relative strength of the halogen bonding C-X...A⁻ (X = I, Br or Cl) and the ratio between the halogen and hydrogen bonds [C-X...A⁻ : D-H...A⁻] varied across the series. PMID:20502514
Feng, Qian; Wei, Kongchang; Lin, Sien; Xu, Zhen; Sun, Yuxin; Shi, Peng; Li, Gang; Bian, Liming
2016-09-01
Although considered promising materials for assisting organ regeneration, few hydrogels meet the stringent requirements of clinical translation on the preparation, application, mechanical property, bioadhesion, and biocompatibility of the hydrogels. Herein, we describe a facile supramolecular approach for preparing gelatin hydrogels with a wide array of desirable properties. Briefly, we first prepare a supramolecular gelatin macromer via the efficient host-guest complexation between the aromatic residues of gelatin and free diffusing photo-crosslinkable acrylated β-cyclodextrin (β-CD) monomers. The subsequent crosslinking of the macromers produces highly resilient supramolecular gelatin hydrogels that are solely crosslinked by the weak host-guest interactions between the gelatinous aromatic residues and β-cyclodextrin (β-CD). The obtained hydrogels are capable of sustaining excessive compressive and tensile strain, and they are capable of quick self healing after mechanical disruption. These hydrogels can be injected in the gelation state through surgical needles and re-molded to the targeted geometries while protecting the encapsulated cells. Moreover, the weak host-guest crosslinking likely facilitate the infiltration and migration of cells into the hydrogels. The excess β-CDs in the hydrogels enable the hydrogel-tissue adhesion and enhance the loading and sustained delivery of hydrophobic drugs. The cell and animal studies show that such hydrogels support cell recruitment, differentiation, and bone regeneration, making them promising carrier biomaterials of therapeutic cells and drugs via minimally invasive procedures. PMID:27294539
NASA Astrophysics Data System (ADS)
Paesani, F.; Gianturco, F. A.
2002-06-01
The coupling between the intermolecular motion and the internal vibrational coordinate in the He-CO system is computed at the post-Hartree-Fock level using the DFT+DISP model already employed by us for similar systems and reviewed here in the main text. The quality of the computation of such weak effects is compared with other, earlier model calculations and then used for the evaluation of the vibrational relaxation cross sections of the CO molecule diluted in 4He gas. A further assessment of the vibrational coupling is carried out by computing, with a stochastic approach that employs the Diffusion Monte Carlo method, the effects on the vibrational frequency of the CO impurity from its immersion in 4He droplets of variable size. Both sets of results are analyzed and discussed to gauge the reliability of the computed coupling vis-a-vis one of those suggested by earlier calculations. This study provides further evidence on the difficulty of quantitatively obtaining from calculations the extremely small effects connected with molecular vibrational features in this system and caused by the weak interaction between the title molecule and a quantum solvent like 4He.
NASA Astrophysics Data System (ADS)
Goriely, S.; Bauswein, A.; Just, O.; Pllumbi, E.; Janka, H.-Th.
2015-10-01
We investigate β-interactions of free nucleons and their impact on the electron fraction (Ye) and r-process nucleosynthesis in ejecta characteristic of binary neutron star mergers (BNSMs). For that we employ trajectories from a relativistic BNSM model to represent the density-temperature evolutions in our parametric study. In the high-density environment, positron captures decrease the neutron richness at the high temperatures predicted by the hydrodynamic simulation. Circumventing the complexities of modelling three-dimensional neutrino transport, (anti)neutrino captures are parametrized in terms of prescribed neutrino luminosities and mean energies, guided by published results and assumed as constant in time. Depending sensitively on the adopted νe-bar{ν }_e luminosity ratio, neutrino processes increase Ye to values between 0.25 and 0.40, still allowing for a successful r-process compatible with the observed solar abundance distribution and a significant fraction of the ejecta consisting of r-process nuclei. If the νe luminosities and mean energies are relatively large compared to the bar{ν }_e properties, the mean Ye might reach values >0.40 so that neutrino captures seriously compromise the success of the r-process. In this case, the r-abundances remain compatible with the solar distribution, but the total amount of ejected r-material is reduced to a few per cent, because the production of iron-peak elements is favoured. Proper neutrino physics, in particular also neutrino absorption, have to be included in BNSM simulations before final conclusions can be drawn concerning r-processing in this environment and concerning observational consequences like kilonovae, whose peak brightness and colour temperature are sensitive to the composition-dependent opacity of the ejecta.
2009-01-01
Mating-type genes control the entry into the sexual cycle, mating identity and sexual development in fungi. The mat A-2 and mat A-3 genes, present in the mat A idiomorph of the filamentous fungus Neurospora crassa, are required for post-fertilization functions but are not essential for mating identity. Their putative roles as transcription factors are based on the similarity of mat A-2 with the Podospora anserina SMR1 gene and an HMG motif present in the mat A-3 gene. In this work the yeast two-hybrid system was used to identify transcriptional activity and protein-protein interaction of N. crassamat A-2 and mat A-3 genes. We observed that the mat A-3 protein alone is capable of weakly activating transcription of yeast reporter genes; it also binds with low specificity to the GAL1 promoter sequence, possibly due to its HMG domain. Our results also indicate that mat A-3 is capable to form homodimers, and interact with mat A-2. Interference on yeast growth was observed on some transformants suggesting a toxic action of the mat A-2 protein. Our data on pattern of interactions of mat proteins contributes towards understanding the control of vegetative and sexual cycles in filamentous fungi. PMID:21637691
Lyukmanova, Ekaterina N; Shenkarev, Zakhar O; Shulepko, Mikhail A; Paramonov, Alexander S; Chugunov, Anton O; Janickova, Helena; Dolejsi, Eva; Dolezal, Vladimir; Utkin, Yuri N; Tsetlin, Victor I; Arseniev, Alexander S; Efremov, Roman G; Dolgikh, Dmitry A; Kirpichnikov, Mikhail P
2015-09-25
Weak toxin from Naja kaouthia (WTX) belongs to the group of nonconventional "three-finger" snake neurotoxins. It irreversibly inhibits nicotinic acetylcholine receptors and allosterically interacts with muscarinic acetylcholine receptors (mAChRs). Using site-directed mutagenesis, NMR spectroscopy, and computer modeling, we investigated the recombinant mutant WTX analogue (rWTX) which, compared with the native toxin, has an additional N-terminal methionine residue. In comparison with the wild-type toxin, rWTX demonstrated an altered pharmacological profile, decreased binding of orthosteric antagonist N-methylscopolamine to human M1- and M2-mAChRs, and increased antagonist binding to M3-mAChR. Positively charged arginine residues located in the flexible loop II were found to be crucial for rWTX interactions with all types of mAChR. Computer modeling suggested that the rWTX loop II protrudes to the M1-mAChR allosteric ligand-binding site blocking the entrance to the orthosteric site. In contrast, toxin interacts with M3-mAChR by loop II without penetration into the allosteric site. Data obtained provide new structural insight into the target-specific allosteric regulation of mAChRs by "three-finger" snake neurotoxins. PMID:26242733
Vincent, Mark A; Hillier, Ian H
2011-03-14
The structure and interaction energies of the weak non-covalent complexes of CHClF(2) and CHF(3) with HCCH have been predicted using a number of density functional based approaches, and compared with both high resolution spectroscopic data recently reported by Sexton et al. [Phys. Chem. Chem. Phys., 2010, 12, 14263-14270], and with high level benchmark calculations reported herein. We find that this is another case where the M05 and M06 families of functionals, as well as the DFT-D approach, are competitive with the more costly wavefunction based methods. We highlight the problem of deriving unique intermolecular structural parameters from the experimental microwave data. PMID:21246115
NASA Astrophysics Data System (ADS)
Akerib, D. S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Bradley, A.; Bramante, R.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chapman, J. J.; Chiller, A. A.; Chiller, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; de Viveiros, L.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gibson, K. R.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Ihm, M.; Jacobsen, R. G.; Ji, W.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Malling, D. C.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Ott, R. A.; Palladino, K. J.; Pangilinan, M.; Pease, E. K.; Phelps, P.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solovov, V. N.; Sorensen, P.; Stephenson, S.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration
2016-04-01
We present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4 ×104 kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn=9.4 ×10-41 cm2 (σp=2.9 ×10-39 cm2 ) at 33 GeV /c2 . The spin-dependent WIMP-neutron limit is the most sensitive constraint to date.
Akerib, D S; Araújo, H M; Bai, X; Bailey, A J; Balajthy, J; Beltrame, P; Bernard, E P; Bernstein, A; Biesiadzinski, T P; Boulton, E M; Bradley, A; Bramante, R; Cahn, S B; Carmona-Benitez, M C; Chan, C; Chapman, J J; Chiller, A A; Chiller, C; Currie, A; Cutter, J E; Davison, T J R; de Viveiros, L; Dobi, A; Dobson, J E Y; Druszkiewicz, E; Edwards, B N; Faham, C H; Fiorucci, S; Gaitskell, R J; Gehman, V M; Ghag, C; Gibson, K R; Gilchriese, M G D; Hall, C R; Hanhardt, M; Haselschwardt, S J; Hertel, S A; Hogan, D P; Horn, M; Huang, D Q; Ignarra, C M; Ihm, M; Jacobsen, R G; Ji, W; Kazkaz, K; Khaitan, D; Knoche, R; Larsen, N A; Lee, C; Lenardo, B G; Lesko, K T; Lindote, A; Lopes, M I; Malling, D C; Manalaysay, A; Mannino, R L; Marzioni, M F; McKinsey, D N; Mei, D-M; Mock, J; Moongweluwan, M; Morad, J A; Murphy, A St J; Nehrkorn, C; Nelson, H N; Neves, F; O'Sullivan, K; Oliver-Mallory, K C; Ott, R A; Palladino, K J; Pangilinan, M; Pease, E K; Phelps, P; Reichhart, L; Rhyne, C; Shaw, S; Shutt, T A; Silva, C; Solovov, V N; Sorensen, P; Stephenson, S; Sumner, T J; Szydagis, M; Taylor, D J; Taylor, W; Tennyson, B P; Terman, P A; Tiedt, D R; To, W H; Tripathi, M; Tvrznikova, L; Uvarov, S; Verbus, J R; Webb, R C; White, J T; Whitis, T J; Witherell, M S; Wolfs, F L H; Yazdani, K; Young, S K; Zhang, C
2016-04-22
We present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4×10^{4} kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σ_{n}=9.4×10^{-41} cm^{2} (σ_{p}=2.9×10^{-39} cm^{2}) at 33 GeV/c^{2}. The spin-dependent WIMP-neutron limit is the most sensitive constraint to date. PMID:27152786
Akerib, D. S.
2016-04-20
Here, we present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4 × 104 kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn = 9.4 × 10–41 cm2 (σp = 2.9 × 10–39 cm2) at 33 GeV/c2. Themore » spin-dependent WIMP-neutron limit is the most sensitive constraint to date.« less
Dhruv, Harshil; Loftus, Joseph C.; Narang, Pooja; Petit, Joachim L.; Fameree, Maureen; Burton, Julien; Tchegho, Giresse; Chow, Donald; Yin, Holly; Al-Abed, Yousef; Berens, Michael E.; Tran, Nhan L.; Meurice, Nathalie
2013-01-01
Deregulation of the TNF-like weak inducer of apoptosis (TWEAK)-fibroblast growth factor-inducible 14 (Fn14) signaling pathway is observed in many diseases, including inflammation, autoimmune diseases, and cancer. Activation of Fn14 signaling by TWEAK binding triggers cell invasion and survival and therefore represents an attractive pathway for therapeutic intervention. Based on structural studies of the TWEAK-binding cysteine-rich domain of Fn14, several homology models of TWEAK were built to investigate plausible modes of TWEAK-Fn14 interaction. Two promising models, centered on different anchoring residues of TWEAK (tyrosine 176 and tryptophan 231), were prioritized using a data-driven strategy. Site-directed mutagenesis of TWEAK at Tyr176, but not Trp231, resulted in the loss of TWEAK binding to Fn14 substantiating Tyr176 as the anchoring residue. Importantly, mutation of TWEAK at Tyr176 did not disrupt TWEAK trimerization but failed to induce Fn14-mediated nuclear factor κ-light chain enhancer of activated B cell (NF-κB) signaling. The validated structural models were utilized in a virtual screen to design a targeted library of small molecules predicted to disrupt the TWEAK-Fn14 interaction. 129 small molecules were screened iteratively, with identification of molecules producing up to 37% inhibition of TWEAK-Fn14 binding. In summary, we present a data-driven in silico study revealing key structural elements of the TWEAK-Fn14 interaction, followed by experimental validation, serving as a guide for the design of small molecule inhibitors of the TWEAK-Fn14 ligand-receptor interaction. Our results validate the TWEAK-Fn14 interaction as a chemically tractable target and provide the foundation for further exploration utilizing chemical biology approaches focusing on validating this system as a therapeutic target in invasive cancers. PMID:24056367
Weak Decays of Excited B Mesons
NASA Astrophysics Data System (ADS)
Grinstein, B.; Martin Camalich, J.
2016-04-01
We investigate the decays of the excited (b q ¯) mesons as probes of the short-distance structure of the weak Δ B =1 transitions. These states are unstable under the electromagnetic or strong interactions, although their widths are typically suppressed by phase space. Compared to the pseudoscalar B meson, the purely leptonic decays of the vector B* are not chirally suppressed and are sensitive to different combinations of the underlying weak effective operators. An interesting example is Bs*→ℓ+ℓ-, which has a rate that can be accurately predicted in the standard model. The branching fraction is B ˜10-11, irrespective of the lepton flavor and where the main uncertainty stems from the unmeasured and theoretically not well known Bs* width. We discuss the prospects for producing this decay mode at the LHC and explore the possibility of measuring the Bs*→ℓℓ amplitude, instead, through scattering experiments at the Bs* resonance peak.
Liu, Jie; Liu, Guangfeng; Liu, Yang; Zheng, Xiaoxin; Han, Quanxiang; Ye, Xin; Tao, Xutang
2016-06-01
Mechano-induced single-crystal-to-single-crystal (SCSC) phase transitions in crystalline materials that change their properties have received more and more attention. However, there are still too few examples to study molecular-level mechanisms in the mechano-induced SCSC phase transitions, making the systematic and in-depth understanding very difficult. We report that bis-(8-hydroxyquinolinato) palladium(II)-tetracyanoquinodimethane (PdQ2 -TCNQ) and bis-(8-hydroxyquinolinato) copper(II)-tetracyanoquinodimethane (CuQ2 -TCNQ) show very different mechano-response behaviors during the SCSC phase transition. Phase transition in CuQ2 -TCNQ can be triggered by pricking on the crystal surface, while in PdQ2 -TCNQ it can only be induced by applying pressure uniformly over the whole crystal face. The crystallography data and Hirshfeld surface analysis indicate that the weak intra-layer C-H⋅⋅⋅O, C-H⋅⋅⋅N hydrogen bonds and inter-layer stacking interactions determine the feasibility of the SCSC phase transition by mechanical stimuli. Weaker intra-layer interactions and looser inter-layer stacking make the SCSC phase transition occur much more easily in the CuQ2 -TCNQ. PMID:27124771
Kasai, Yasuhiro; Shizuku, Hideki; Takagi, Yasuomi; Warashina, Masaki; Taira, Kazunari
2002-01-01
Exploitation of ribozymes in a practical setting requires high catalytic activity and strong specificity. The hammerhead ribozyme R32 has considerable potential in this regard since it has very high catalytic activity. In this study, we have examined how R32 recognizes and cleaves a specific substrate, focusing on the mechanism behind the specificity. Comparing rates of cleavage of a substrate in a mixture that included the correct substrate and various substrates with point mutations, we found that R32 cleaved the correct substrate specifically and at a high rate. To clarify the source of this strong specificity, we quantified the weak interactions between R32 and various truncated substrates, using truncated substrates as competitive inhibitors since they were not readily cleaved during kinetic measurements of cleavage of the correct substrate, S11. We found that the strong specificity of the cleavage reaction was due to a closed form of R32 with a hairpin structure. The self-complementary structure within R32 enabled the ribozyme to discriminate between the correct substrate and a mismatched substrate. Since this hairpin motif did not increase the Km (it did not inhibit the binding interaction) or decrease the kcat (it did not decrease the cleavage rate), this kind of hairpin structure might be useful for the design of new ribozymes with strong specificity and high activity. PMID:12034825
Conservation Laws in Weak Interactions
DOE R&D Accomplishments Database
Lee, T. D.
1957-03-01
Notes are presented on four lectures given at Harvard University in March 1957 on elementary particle physics, the theta-tau problem, validity of parity conservation, tests for invariance under P, C, and T, and the two-component theory of the neutrino. (W.D.M.)
NASA Astrophysics Data System (ADS)
Calvo, Rafael; Abud, Julián E.; Sartoris, Rosana P.; Santana, Ricardo C.
2011-09-01
Binuclear (also called dimeric) compounds with pairs of antiferromagnetically coupled spins ½, S1 and S2 (Hex = -J0 S1.S2, with J0<0 for antiferromagnets), have been around for ˜60 years, providing roots to the field of molecular magnetism. In addition, as reported in recent years, weak interactions between binuclear units in a crystalline network give rise to interesting systems of interacting bosons having an energy gap, which are important in the study of quantum phenomena in many body systems coupled by stochastic distributions of interactions. Binuclear compounds have gained new relevance in the last decade with the observation of Bose-Einstein condensation. In this work, we use electron paramagnetic resonance (EPR) to study the role of weak inter-binuclear exchange couplings J’ (|J’| ≪|J0|) in the spectra, elementary excitations, and spin dynamics of a one-dimensional (1-D) array of antiferromagnetic (AFM) binuclear units in the hybrid (organic-inorganic) CuII compound [Cu(CH3COO)(phen)(H2O)]2·(NO3)2·4H2O. In this material, the acetate (CH3COO)- anion supports the intra-binuclear exchange coupling J0, and the stacking of the (phen) = 1,10-phenanthroline rings of neighbor units supports the inter-binuclear interactions J', giving rise to well-isolated chains. This has advantages over other binuclear compounds studied previously because magnetically equal units are arranged in a 1-D spatial arrangement along the direction of their symmetry axis, simplifying the analysis of the data and allowing a simpler treatment. In addition, single crystals of good quality allow detailed EPR experiments.EPR spectra were collected at ˜33.8 and ˜9.4-9.8 GHz in oriented single crystals at room temperature and in powder samples at temperatures (T) between 10 and 300 K. By varying the energy levels of the binuclear units with the magnetic field orientation, or changing the population of the excited triplet state with temperature and, consequently, the effective
Chen, Long; Jiang, Yibin; Nie, Han; Hu, Rongrong; Kwok, Hoi Sing; Huang, Fei; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
2014-10-01
In this work, two tailored luminogens (TPE-NB and TPE-PNPB) consisting of tetraphenylethene (TPE), diphenylamino, and dimesitylboryl as a π-conjugated linkage, electron donor, and electron acceptor, respectively, are synthesized and characterized. Their thermal stabilities, photophysical properties, solvachromism, fluorescence decays, electronic structures, electrochemical behaviors, and electroluminescence (EL) properties are investigated systematically, and the impacts of electron donor-acceptor (D-A) interaction on optoelectronic properties are discussed. Due to the presence of a TPE unit, both luminogens show aggregation-induced emission, but strong D-A interaction causes a decrease in emission efficiency and red-shifts in photoluminescence and EL emissions. The luminogen, TPE-PNPB, with a weak D-A interaction fluoresces strongly in solid film with a high fluorescence quantum yield of 94%. The trilayer OLED [ITO/NPB (60 nm)/TPE-PNPB (20 nm)/TPBi (40 nm)/LiF (1 nm)/Al (100 nm)] utilizing TPE-PNPB as a light emitter shows a peak luminance of 49 993 cd m(-2) and high EL efficiencies up to 15.7 cd A(-1), 12.9 lm W(-1), and 5.12%. The bilayer OLED [ITO/TPE-PNPB (80 nm)/TPBi (40 nm)/LiF (1 nm)/Al (100 nm)] adopting TPE-PNPB as a light emitter and hole transporter simultaneously affords even better EL efficiencies of 16.2 cd A(-1), 14.4 lm W(-1), and 5.35% in ambient air, revealing that TPE-PNPB is an eximious p-type light emitter. PMID:25254940
Wirnsberger, Gernot; Pillep, Bernhard M; Popitsch, Alois; Knoll, Peter; Behrens, Peter
2002-09-01
Mercury(II) halides HgX(2) (X=Cl, Br, I) were inserted into the voids of the crystalline microporous SiO(2) modifications deca-dodecasil 3R (short term: DDR), silica-theta-1 (TON), silica-ferrierite (FER) and silicalite-1 (MFI) by vapour phase loading. The properties of the occluded guest species were studied by X-ray absorption spectroscopy (X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) analysis), UV/Vis spectroscopy, and IR and Raman spectroscopy. The methods reveal the presence of HgX(2) molecules in the insertion compounds. The interactions between these electroneutral guest molecules and the electroneutral surrounding SiO(2) framework are weak. In addition, no indication of any significant guest-guest interaction between the embedded molecules was found, in contrast to the analogous iodine insertion compounds, where these become more important with increasing pore dimensionality (G. Wirnsberger et al., Angew. Chem. 1996, 108, 2951-2953; Angew. Chem. Int. Ed. Engl. 1996, 35, 2777). Analysis of the HgL(3) EXAFS confirms a coordination number of two for Hg and gives HgX bond lengths of 2.26 +/- 0.02, 2.38 +/- 0.02 and 2.57 +/- 0.02 A for the trapped HgCl(2), HgBr(2) and HgI(2) molecules, respectively. These values are very close to those of the corresponding molecules in the vapour phase and are the shortest determined for HgX(2) molecules in solid-state compounds to date (a comparably short distance only appears in the recently reported [Cu(2-pyrazinecarboxylato)(2)HgI(2)] x HgI(2) with d(Hg[bond]I)=2.577(2) A; Dong et al., Angew. Chem. 2000, 112, 4441-4443; Angew. Chem. Int. Ed. 2000, 39, 4271). Thus, there emerges a picture of almost unperturbed HgX(2) molecules, similar to those in the vapour phase or in non-coordinating solvents, in a solid crystalline matrix of high temperature stability, a very unusual state of matter. Despite the weakness of the host-guest interactions, investigations on small
NASA Astrophysics Data System (ADS)
Itonaga, K.; Motoba, T.
The recent theoretical studies of Lambda-hypernuclear weak decaysof the nonmesonic and pi-mesonic ones are developed with the aim to disclose the link between the experimental decay observables and the underlying basic weak decay interactions and the weak decay mechanisms. The expressions of the nonmesonic decay rates Gamma_{nm} and the decay asymmetry parameter alpha_1 of protons from the polarized hypernuclei are presented in the shell model framework. We then introduce the meson theoretical Lambda N -> NN interactions which include the one-meson exchanges, the correlated-2pi exchanges, and the chiral-pair-meson exchanges. The features of meson exchange potentials and their roles on the nonmesonic decays are discussed. With the adoption of the pi + 2pi/rho + 2pi/sigma + omega + K + rhopi/a_1 + sigmapi/a_1 exchange potentials, we have carried out the systematic calculations of the nonmesonic decay observables for light-to-heavy hypernuclei. The present model can account for the available experimental data of the decay rates, Gamma_n/Gamma_p ratios, and the intrinsic asymmetry parameters alpha_Lambda (alpha_Lambda is related to alpha_1) of emitted protons well and consistently within the error bars. The hypernuclear lifetimes are evaluated by converting the total weak decay rates Gamma_{tot} = Gamma_pi + Gamma_{nm} to tau, which exhibit saturation property for the hypernuclear mass A ≥ 30 and agree grossly well with experimental data for the mass range from light to heavy hypernuclei except for the very light ones. Future extensions of the model and the remaining problems are also mentioned. The pi-mesonic weak processes are briefly surveyed, and the calculations and predictions are compared and confirmed by the recent high precision FINUDA pi-mesonic decay data. This shows that the theoretical basis seems to be firmly grounded.
NASA Astrophysics Data System (ADS)
Aad, G.; Abbott, B.; Abdallah, J.; Abdelalim, A. A.; Abdesselam, A.; Abdinov, O.; Abi, B.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Acerbi, E.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Addy, T. N.; Adelman, J.; Aderholz, M.; Adomeit, S.; Adragna, P.; Adye, T.; Aefsky, S.; Aguilar-Saavedra, J. A.; Aharrouche, M.; Ahlen, S. P.; Ahles, F.; Ahmad, A.; Ahsan, M.; Aielli, G.; Akdogan, T.; Åkesson, T. P. A.; Akimoto, G.; Akimov, A. V.; Akiyama, A.; Alam, M. S.; Alam, M. A.; Albert, J.; Albrand, S.; Aleksa, M.; Aleksandrov, I. N.; Alessandria, F.; Alexa, C.; Alexander, G.; Alexandre, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Aliyev, M.; Allport, P. P.; Allwood-Spiers, S. E.; Almond, J.; Aloisio, A.; Alon, R.; Alonso, A.; Alvarez Gonzalez, B.; Alviggi, M. G.; Amako, K.; Amaral, P.; Amelung, C.; Ammosov, V. V.; Amorim, A.; Amorós, G.; Amram, N.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Andrieux, M.-L.; Anduaga, X. S.; Angerami, A.; Anghinolfi, F.; Anisenkov, A.; Anjos, N.; Annovi, A.; Antonaki, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoun, S.; Aperio Bella, L.; Apolle, R.; Arabidze, G.; Aracena, I.; Arai, Y.; Arce, A. T. H.; Archambault, J. P.; Arfaoui, S.; Arguin, J.-F.; Arik, E.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnault, C.; Artamonov, A.; Artoni, G.; Arutinov, D.; Asai, S.; Asfandiyarov, R.; Ask, S.; Åsman, B.; Asquith, L.; Assamagan, K.; Astbury, A.; Astvatsatourov, A.; Aubert, B.; Auge, E.; Augsten, K.; Aurousseau, M.; Avolio, G.; Avramidou, R.; Axen, D.; Ay, C.; Azuelos, G.; Azuma, Y.; Baak, M. A.; Baccaglioni, G.; Bacci, C.; Bach, A. M.; Bachacou, H.; Bachas, K.; Bachy, G.; Backes, M.; Backhaus, M.; Badescu, E.; Bagnaia, P.; Bahinipati, S.; Bai, Y.; Bailey, D. C.; Bain, T.; Baines, J. T.; Baker, O. K.; Baker, M. D.; Baker, S.; Banas, E.; Banerjee, P.; Banerjee, Sw.; Banfi, D.; Bangert, A.; Bansal, V.; Bansil, H. S.; Barak, L.; Baranov, S. P.; Barashkou, A.; Barbaro Galtieri, A.; Barber, T.; Barberio, E. L.; Barberis, D.; Barbero, M.; Bardin, D. Y.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnett, B. M.; Barnett, R. M.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barreiro, F.; da Costa, J. Barreiro Guimarães; Barrillon, P.; Bartoldus, R.; Barton, A. E.; Bartsch, V.; Bates, R. L.; Batkova, L.; Batley, J. R.; Battaglia, A.; Battistin, M.; Bauer, F.; Bawa, H. S.; Beale, S.; Beare, B.; Beau, T.; Beauchemin, P. H.; Beccherle, R.; Bechtle, P.; Beck, H. P.; Becker, S.; Beckingham, M.; Becks, K. H.; Beddall, A. J.; Beddall, A.; Bedikian, S.; Bednyakov, V. A.; Bee, C. P.; Begel, M.; Behar Harpaz, S.; Behera, P. K.; Beimforde, M.; Belanger-Champagne, C.; Bell, P. J.; Bell, W. H.; Bella, G.; Bellagamba, L.; Bellina, F.; Bellomo, M.; Belloni, A.; Beloborodova, O.; Belotskiy, K.; Beltramello, O.; Ben Ami, S.; Benary, O.; Benchekroun, D.; Benchouk, C.; Bendel, M.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez Garcia, J. A.; Benjamin, D. P.; Benoit, M.; Bensinger, J. R.; Benslama, K.; Bentvelsen, S.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Berghaus, F.; Berglund, E.; Beringer, J.; Bernat, P.; Bernhard, R.; Bernius, C.; Berry, T.; Bertella, C.; Bertin, A.; Bertinelli, F.; Bertolucci, F.; Besana, M. I.; Besson, N.; Bethke, S.; Bhimji, W.; Bianchi, R. M.; Bianco, M.; Biebel, O.; Bieniek, S. P.; Bierwagen, K.; Biesiada, J.; Biglietti, M.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biscarat, C.; Bitenc, U.; Black, K. M.; Blair, R. E.; Blanchard, J.-B.; Blanchot, G.; Blazek, T.; Blocker, C.; Blocki, J.; Blondel, A.; Blum, W.; Blumenschein, U.; Bobbink, G. J.; Bobrovnikov, V. B.; Bocchetta, S. S.; Bocci, A.; Boddy, C. R.; Boehler, M.; Boek, J.; Boelaert, N.; Böser, S.; Bogaerts, J. A.; Bogdanchikov, A.; Bogouch, A.; Bohm, C.; Boisvert, V.; Bold, T.; Boldea, V.; Bolnet, N. M.; Bona, M.; Bondarenko, V. G.; Bondioli, M.; Boonekamp, M.; Boorman, G.; Booth, C. N.; Bordoni, S.; Borer, C.; Borisov, A.; Borissov, G.; Borjanovic, I.; Borroni, S.; Bos, K.; Boscherini, D.; Bosman, M.; Boterenbrood, H.; Botterill, D.; Bouchami, J.; Boudreau, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Bousson, N.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bozhko, N. I.; Bozovic-Jelisavcic, I.; Bracinik, J.; Braem, A.; Branchini, P.; Brandenburg, G. W.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Brelier, B.; Bremer, J.; Brenner, R.; Bressler, S.; Breton, D.; Britton, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brodbeck, T. J.; Brodet, E.; Broggi, F.; Bromberg, C.; Bronner, J.; Brooijmans, G.; Brooks, W. K.; Brown, G.; Brown, H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Brunet, S.; Bruni, A.; Bruni, G.; Bruschi, M.; Buanes, T.; Buat, Q.; Bucci, F.; Buchanan, J.; Buchanan, N. J.; Buchholz, P.; Buckingham, R. M.; Buckley, A. G.; Buda, S. I.; Budagov, I. A.; Budick, B.; Büscher, V.; Bugge, L.; Bulekov, O.; Bunse, M.; Buran, T.; Burckhart, H.; Burdin, S.; Burgess, T.; Burke, S.; Busato, E.; Bussey, P.; Buszello, C. P.; Butin, F.; Butler, B.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Buttinger, W.; Cabrera Urbán, S.; Caforio, D.; Cakir, O.; Calafiura, P.; Calderini, G.; Calfayan, P.; Calkins, R.; Caloba, L. P.; Caloi, R.; Calvet, D.; Calvet, S.; Camacho Toro, R.; Camarri, P.; Cambiaghi, M.; Cameron, D.; Caminada, L. M.; Campana, S.; Campanelli, M.; Canale, V.; Canelli, F.; Canepa, A.; Cantero, J.; Capasso, L.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capriotti, D.; Capua, M.; Caputo, R.; Caramarcu, C.; Cardarelli, R.; Carli, T.; Carlino, G.; Carminati, L.; Caron, B.; Caron, S.; Carrillo Montoya, G. 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M.; Swedish, S.; Sykora, I.; Sykora, T.; Szeless, B.; Sánchez, J.; Ta, D.; Tackmann, K.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takahashi, Y.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A.; Tamsett, M. C.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tanaka, S.; Tanaka, Y.; Tanasijczuk, A. J.; Tani, K.; Tannoury, N.; Tappern, G. P.; Tapprogge, S.; Tardif, D.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tassi, E.; Tatarkhanov, M.; Tayalati, Y.; Taylor, C.; Taylor, F. E.; Taylor, G. N.; Taylor, W.; Teinturier, M.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Ten Kate, H.; Teng, P. K.; Terada, S.; Terashi, K.; Terron, J.; Testa, M.; Teuscher, R. J.; Thadome, J.; Therhaag, J.; Theveneaux-Pelzer, T.; Thioye, M.; Thoma, S.; Thomas, J. P.; Thompson, E. N.; Thompson, P. D.; Thompson, P. D.; Thompson, A. S.; Thomson, E.; Thomson, M.; Thun, R. P.; Tian, F.; Tibbetts, M. J.; Tic, T.; Tikhomirov, V. O.; Tikhonov, Y. A.; Timoshenko, S.; Tipton, P.; Tique Aires Viegas, F. J.; Tisserant, S.; Toczek, B.; Todorov, T.; Todorova-Nova, S.; Toggerson, B.; Tojo, J.; Tokár, S.; Tokunaga, K.; Tokushuku, K.; Tollefson, K.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, G.; Tonoyan, A.; Topfel, C.; Topilin, N. D.; Torchiani, I.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Trinh, T. N.; Tripiana, M. F.; Trischuk, W.; Trivedi, A.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trzebinski, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiakiris, M.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsung, J.-W.; Tsuno, S.; Tsybychev, D.; Tua, A.; Tudorache, A.; Tudorache, V.; Tuggle, J. M.; Turala, M.; Turecek, D.; Turk Cakir, I.; Turlay, E.; Turra, R.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Tzanakos, G.; Uchida, K.; Ueda, I.; Ueno, R.; Ugland, M.; Uhlenbrock, M.; Uhrmacher, M.; Ukegawa, F.; Unal, G.; Underwood, D. G.; Undrus, A.; Unel, G.; Unno, Y.; Urbaniec, D.; Usai, G.; Uslenghi, M.; Vacavant, L.; Vacek, V.; Vachon, B.; Vahsen, S.; Valenta, J.; Valente, P.; Valentinetti, S.; Valkar, S.; Valladolid Gallego, E.; Vallecorsa, S.; Valls Ferrer, J. A.; van der Graaf, H.; van der Kraaij, E.; Van Der Leeuw, R.; van der Poel, E.; van der Ster, D.; van Eldik, N.; van Gemmeren, P.; van Kesteren, Z.; van Vulpen, I.; Vanadia, M.; Vandelli, W.; Vandoni, G.; Vaniachine, A.; Vankov, P.; Vannucci, F.; Varela Rodriguez, F.; Vari, R.; Varnes, E. W.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vassilakopoulos, V. I.; Vazeille, F.; Vegni, G.; Veillet, J. J.; Vellidis, C.; Veloso, F.; Veness, R.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinek, E.; Vinogradov, V. B.; Virchaux, M.; Virzi, J.; Vitells, O.; Viti, M.; Vivarelli, I.; Vives Vaque, F.; Vlachos, S.; Vladoiu, D.; Vlasak, M.; Vlasov, N.; Vogel, A.; Vokac, P.; Volpi, G.; Volpi, M.; Volpini, G.; von der Schmitt, H.; von Loeben, J.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobiev, A. P.; Vorwerk, V.; Vos, M.; Voss, R.; Voss, T. T.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vu Anh, T.; Vuillermet, R.; Vukotic, I.; Wagner, W.; Wagner, P.; Wahlen, H.; Wakabayashi, J.; Walbersloh, J.; Walch, S.; Walder, J.; Walker, R.; Walkowiak, W.; Wall, R.; Waller, P.; Wang, C.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, J. C.; Wang, R.; Wang, S. M.; Warburton, A.; Ward, C. P.; Warsinsky, M.; Watkins, P. M.; Watson, A. T.; Watson, I. J.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, A. T.; Waugh, B. M.; Weber, M.; Weber, M. S.; Weber, P.; Weidberg, A. R.; Weigell, P.; Weingarten, J.; Weiser, C.; Wellenstein, H.; Wells, P. S.; Wen, M.; Wenaus, T.; Wendler, S.; Weng, Z.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Werth, M.; Wessels, M.; Weydert, C.; Whalen, K.; Wheeler-Ellis, S. J.; Whitaker, S. P.; White, A.; White, M. J.; Whitehead, S. R.; Whiteson, D.; Whittington, D.; Wicek, F.; Wicke, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wijeratne, P. A.; Wildauer, A.; Wildt, M. A.; Wilhelm, I.; Wilkens, H. G.; Will, J. Z.; Williams, E.; Williams, H. H.; Willis, W.; Willocq, S.; Wilson, J. A.; Wilson, M. G.; Wilson, A.; Wingerter-Seez, I.; Winkelmann, S.; Winklmeier, F.; Wittgen, M.; Wolter, M. W.; Wolters, H.; Wong, W. C.; Wooden, G.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wraight, K.; Wright, C.; Wright, M.; Wrona, B.; Wu, S. L.; Wu, X.; Wu, Y.; Wulf, E.; Wunstorf, R.; Wynne, B. M.; Xella, S.; Xiao, M.; Xie, S.; Xie, Y.; Xu, C.; Xu, D.; Xu, G.; Yabsley, B.; Yacoob, S.; Yamada, M.; Yamaguchi, H.; Yamamoto, A.; Yamamoto, K.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yamaoka, J.; Yamazaki, T.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, U. K.; Yang, Y.; Yang, Y.; Yang, Z.; Yanush, S.; Yao, Y.; Yasu, Y.; Ybeles Smit, G. V.; Ye, J.; Ye, S.; Yilmaz, M.; Yoosoofmiya, R.; Yorita, K.; Yoshida, R.; Young, C.; Youssef, S.; Yu, D.; Yu, J.; Yu, J.; Yuan, L.; Yurkewicz, A.; Zabinski, B.; Zaets, V. G.; Zaidan, R.; Zaitsev, A. M.; Zajacova, Z.; Zanello, L.; Zarzhitsky, P.; Zaytsev, A.; Zeitnitz, C.; Zeller, M.; Zeman, M.; Zemla, A.; Zendler, C.; Zenin, O.; Ženiš, T.; Zinonos, Z.; Zenz, S.; Zerwas, D.; Zevi della Porta, G.; Zhan, Z.; Zhang, D.; Zhang, H.; Zhang, J.; Zhang, X.; Zhang, Z.; Zhao, L.; Zhao, T.; Zhao, Z.; Zhemchugov, A.; Zheng, S.; Zhong, J.; Zhou, B.; Zhou, N.; Zhou, Y.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhuravlov, V.; Zieminska, D.; Zimmermann, R.; Zimmermann, S.; Zimmermann, S.; Ziolkowski, M.; Zitoun, R.; Živković, L.; Zmouchko, V. V.; Zobernig, G.; Zoccoli, A.; Zolnierowski, Y.; Zsenei, A.; zur Nedden, M.; Zutshi, V.; Zwalinski, L.
2012-06-01
A search for the decay of a light Higgs boson (120-140 GeV) to a pair of weakly interacting, long-lived particles in 1.94fb-1 of proton-proton collisions at s=7TeV recorded in 2011 by the ATLAS detector is presented. The search strategy requires that both long-lived particles decay inside the muon spectrometer. No excess of events is observed above the expected background and limits on the Higgs boson production times branching ratio to weakly interacting, long-lived particles are derived as a function of the particle proper decay length.
Aad, G; Abbott, B; Abdallah, J; Abdelalim, A A; Abdesselam, A; Abdinov, O; Abi, B; Abolins, M; Abouzeid, O S; Abramowicz, H; Abreu, H; Acerbi, E; Acharya, B S; Adamczyk, L; Adams, D L; Addy, T N; Adelman, J; Aderholz, M; Adomeit, S; Adragna, P; Adye, T; Aefsky, S; Aguilar-Saavedra, J A; Aharrouche, M; Ahlen, S P; Ahles, F; Ahmad, A; Ahsan, M; Aielli, G; Akdogan, T; Akesson, T P A; Akimoto, G; Akimov, A V; Akiyama, A; Alam, M S; Alam, M A; Albert, J; Albrand, S; Aleksa, M; Aleksandrov, I N; Alessandria, F; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Aliev, M; Alimonti, G; Alison, J; Aliyev, M; Allport, P P; Allwood-Spiers, S E; Almond, J; Aloisio, A; Alon, R; Alonso, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amaral, P; Amelung, C; Ammosov, V V; Amorim, A; Amorós, G; Amram, N; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Andrieux, M-L; Anduaga, X S; Angerami, A; Anghinolfi, F; Anisenkov, A; Anjos, N; Annovi, A; Antonaki, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoun, S; Aperio Bella, L; Apolle, R; Arabidze, G; Aracena, I; Arai, Y; Arce, A T H; Archambault, J P; Arfaoui, S; Arguin, J-F; Arik, E; Arik, M; Armbruster, A J; Arnaez, O; Arnault, C; Artamonov, A; Artoni, G; Arutinov, D; Asai, S; Asfandiyarov, R; Ask, S; Asman, B; Asquith, L; Assamagan, K; Astbury, A; Astvatsatourov, A; Aubert, B; Auge, E; Augsten, K; Aurousseau, M; Avolio, G; Avramidou, R; Axen, D; Ay, C; Azuelos, G; Azuma, Y; Baak, M A; Baccaglioni, G; Bacci, C; Bach, A M; Bachacou, H; Bachas, K; Bachy, G; Backes, M; Backhaus, M; Badescu, E; Bagnaia, P; Bahinipati, S; Bai, Y; Bailey, D C; Bain, T; Baines, J T; Baker, O K; Baker, M D; Baker, S; Banas, E; Banerjee, P; Banerjee, Sw; Banfi, D; Bangert, A; Bansal, V; Bansil, H S; Barak, L; Baranov, S P; Barashkou, A; Barbaro Galtieri, A; Barber, T; Barberio, E L; Barberis, D; Barbero, M; Bardin, D Y; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnett, B M; Barnett, R M; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; da Costa, J Barreiro Guimarães; Barrillon, P; Bartoldus, R; Barton, A E; Bartsch, V; Bates, R L; Batkova, L; Batley, J R; Battaglia, A; Battistin, M; Bauer, F; Bawa, H S; Beale, S; Beare, B; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, S; Beckingham, M; Becks, K H; Beddall, A J; Beddall, A; Bedikian, S; Bednyakov, V A; Bee, C P; Begel, M; Behar Harpaz, S; Behera, P K; Beimforde, M; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellina, F; Bellomo, M; Belloni, A; Beloborodova, O; Belotskiy, K; Beltramello, O; Ben Ami, S; Benary, O; Benchekroun, D; Benchouk, C; Bendel, M; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Benoit, M; Bensinger, J R; Benslama, K; Bentvelsen, S; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Berglund, E; Beringer, J; Bernat, P; Bernhard, R; Bernius, C; Berry, T; Bertella, C; Bertin, A; Bertinelli, F; Bertolucci, F; Besana, M I; Besson, N; Bethke, S; Bhimji, W; Bianchi, R M; Bianco, M; Biebel, O; Bieniek, S P; Bierwagen, K; Biesiada, J; Biglietti, M; Bilokon, H; Bindi, M; Binet, S; Bingul, A; Bini, C; Biscarat, C; Bitenc, U; Black, K M; Blair, R E; Blanchard, J-B; Blanchot, G; Blazek, T; Blocker, C; Blocki, J; Blondel, A; Blum, W; Blumenschein, U; Bobbink, G J; Bobrovnikov, V B; Bocchetta, S S; Bocci, A; Boddy, C R; Boehler, M; Boek, J; Boelaert, N; Böser, S; Bogaerts, J A; Bogdanchikov, A; Bogouch, A; Bohm, C; Boisvert, V; Bold, T; Boldea, V; Bolnet, N M; Bona, M; Bondarenko, V G; Bondioli, M; Boonekamp, M; Boorman, G; Booth, C N; Bordoni, S; Borer, C; Borisov, A; Borissov, G; Borjanovic, I; Borroni, S; Bos, K; Boscherini, D; Bosman, M; Boterenbrood, H; Botterill, D; Bouchami, J; Boudreau, J; Bouhova-Thacker, E V; Boumediene, D; Bourdarios, C; Bousson, N; Boveia, A; Boyd, J; Boyko, I R; Bozhko, N I; Bozovic-Jelisavcic, I; Bracinik, J; Braem, A; Branchini, P; Brandenburg, G W; Brandt, A; Brandt, G; Brandt, O; Bratzler, U; Brau, B; Brau, J E; Braun, H M; Brelier, B; Bremer, J; Brenner, R; Bressler, S; Breton, D; Britton, D; Brochu, F M; Brock, I; Brock, R; Brodbeck, T J; Brodet, E; Broggi, F; Bromberg, C; Bronner, J; Brooijmans, G; Brooks, W K; Brown, G; Brown, H; Bruckman de Renstrom, P A; Bruncko, D; Bruneliere, R; Brunet, S; Bruni, A; Bruni, G; Bruschi, M; Buanes, T; Buat, Q; Bucci, F; Buchanan, J; Buchanan, N J; Buchholz, P; Buckingham, R M; Buckley, A G; Buda, S I; Budagov, I A; Budick, B; Büscher, V; Bugge, L; Bulekov, O; Bunse, M; Buran, T; Burckhart, H; Burdin, S; Burgess, T; Burke, S; Busato, E; Bussey, P; Buszello, C P; Butin, F; Butler, B; Butler, J M; Buttar, C M; Butterworth, J M; Buttinger, W; Cabrera Urbán, S; Caforio, D; Cakir, O; Calafiura, P; Calderini, G; Calfayan, P; Calkins, R; Caloba, L P; Caloi, R
2012-06-22
A search for the decay of a light Higgs boson (120-140 GeV) to a pair of weakly interacting, long-lived particles in 1.94 fb(-1) of proton-proton collisions at sqrt[s] = 7 TeV recorded in 2011 by the ATLAS detector is presented. The search strategy requires that both long-lived particles decay inside the muon spectrometer. No excess of events is observed above the expected background and limits on the Higgs boson production times branching ratio to weakly interacting, long-lived particles are derived as a function of the particle proper decay length. PMID:23004585
Lebedev, V. S. Narits, A. A.
2013-10-15
Ion-pair formation processes are studied in collisions of Rydberg atoms with neutral particles possessing small electron affinities. Nonadiabatic transitions from a Rydberg covalent term to an ionic term of a quasi-molecule are considered using the modified Landau-Zener theory supplemented with calculation of survival factors of an anion decaying in the Coulomb field of a positive ion core. Using the technique of irreducible tensor operators and the momentum representation of the wavefunction of a highly excited atom, exact expressions are obtained for transition matrix elements and the ionic-covalent coupling parameter. The approach developed in the paper provides the description beyond the scope of a conventional assumption about a small variation of the wavefunction of the Rydberg atom on the range of electron coordinates determined by the characteristic radius of the wavefunction of the anion. This allows one to correctly consider long-range effects of the interaction between a weakly bound electron and the neutral core of a negative ion in processes under study. It is shown by the example of thermal collisions of Xe(nf) atoms with CH{sub 3}CN molecules that this is very important for a reliable quantitative description of anion formation with a low binding energy. The results are compared with experiments and calculations performed within the framework of a number of approximate methods.
NASA Astrophysics Data System (ADS)
Tao, Bo; Jiang, Xiang; Xia, Hua; Cheng, Hefa
2012-03-01
A 3D plywood-like nickel(II) hexaazamacrocyclic coordination polymer {[Ni(hto)(H2btec]}n (2) (hto = 1,3,6,9,11,14-hexaazatricyclo[12.2.1.16,9]octadecane, H4btec = 1,2,4,5-benzenetetracarboxylic acid) was synthesized by a slow diffusion method and characterized by X-ray crystallography and spectroscopic methods. The structure of 2 is made up of [Ni(hto)]2+ cation and H2btec2- anion in a molecular ratio of 1:1. The nickel(II) ions in the complex are bridged by the H2btec2- ligand based on weak Ni⋯O coordination interactions to form a 1D chain. The alternate cross-like 1D chains are packed in a plywood-like structure and interconnected with each other by hydrogen bonding to form a 3D network. Complex 2 exhibits fluorescent emission in the solid state at room temperature.
Carra, Claudio; Cucinotta, Francis A
2012-06-01
The eukaryotic replication protein A (RPA) has several pivotal functions in the cell metabolism, such as chromosomal replication, prevention of hairpin formation, DNA repair and recombination, and signaling after DNA damage. Moreover, RPA seems to have a crucial role in organizing the sequential assembly of DNA processing proteins along single stranded DNA (ssDNA). The strong RPA affinity for ssDNA, K(A) between 10(-9)-10(-10) M, is characterized by a low cooperativity with minor variation for changes on the nucleotide sequence. Recently, new data on RPA interactions was reported, including the binding free energy of the complex RPA70AB with dC(8) and dC(5), which has been estimated to be -10 ± 0.4 kcal mol(-1) and -7 ± 1 kcal mol(-1), respectively. In view of these results we performed a study based on molecular dynamics aimed to reproduce the absolute binding free energy of RPA70AB with the dC(5) and dC(8) oligonucleotides. We used several tools to analyze the binding free energy, rigidity, and time evolution of the complex. The results obtained by MM-PBSA method, with the use of ligand free geometry as a reference for the receptor in the separate trajectory approach, are in excellent agreement with the experimental data, with ±4 kcal mol(-1) error. This result shows that the MM-PB(GB)SA methods can provide accurate quantitative estimates of the binding free energy for interacting complexes when appropriate geometries are used for the receptor, ligand and complex. The decomposition of the MM-GBSA energy for each residue in the receptor allowed us to correlate the change of the affinity of the mutated protein with the ΔG(gas+sol) contribution of the residue considered in the mutation. The agreement with experiment is optimal and a strong change in the binding free energy can be considered as the dominant factor in the loss for the binding affinity resulting from mutation. PMID:22116609
Brautigam, Chad A.; Wynn, R. Max; Chuang, Jacinta L.; Naik, Mandar T.; Young, Brittany B.; Huang, Tai-huang; Chuang, David T.
2012-02-27
The purified mammalian branched-chain {alpha}-ketoacid dehydrogenase complex (BCKDC), which catalyzes the oxidative decarboxylation of branched-chain {alpha}-keto acids, is essentially devoid of the constituent dihydrolipoamide dehydrogenase component (E3). The absence of E3 is associated with the low affinity of the subunit-binding domain of human BCKDC (hSBDb) for hE3. In this work, sequence alignments of hSBDb with the E3-binding domain (E3BD) of the mammalian pyruvate dehydrogenase complex show that hSBDb has an arginine at position 118, where E3BD features an asparagine. Substitution of Arg-118 with an asparagine increases the binding affinity of the R118N hSBDb variant (designated hSBDb*) for hE3 by nearly 2 orders of magnitude. The enthalpy of the binding reaction changes from endothermic with the wild-type hSBDb to exothermic with the hSBDb* variant. This higher affinity interaction allowed the determination of the crystal structure of the hE3/hSBDb* complex to 2.4-{angstrom} resolution. The structure showed that the presence of Arg-118 poses a unique, possibly steric and/or electrostatic incompatibility that could impede E3 interactions with the wild-type hSBDb. Compared with the E3/E3BD structure, the hE3/hSBDb* structure has a smaller interfacial area. Solution NMR data corroborated the interactions of hE3 with Arg-118 and Asn-118 in wild-type hSBDb and mutant hSBDb*, respectively. The NMR results also showed that the interface between hSBDb and hE3 does not change significantly from hSBDb to hSBDb*. Taken together, our results represent a starting point for explaining the long standing enigma that the E2b core of the BCKDC binds E3 far more weakly relative to other {alpha}-ketoacid dehydrogenase complexes.
Zhang, Feng; Odani, Akira; Masuda, Hideki; Yamauchi, Osamu
1996-11-20
five-coordinate square-pyramidal geometry with the equatorial positions occupied by the two nitrogen atoms of bpy and the nitrogen and oxygen atoms of I(2)tyr, and the apical position is occupied by a water molecule (for 1) or a nitrate ion (for 2). The opposite site to the axial water or nitrate oxygen atom is intramolecularly occupied by the side chain aromatic ring, which is approximately parallel to the copper coordination plane with the average spacing of 3.31 or 3.30 Å for complex 1 or 2, respectively, directly exhibiting the effective stacking interaction between the aromatic rings in the solid state. Distances between the iodine and one of the pyridine rings of bpy (3.79 Å for 1 and 3.56 Å for 2) are shorter than the van der Waals distance (3.85 Å), implying that the iodine substituent may be involved in a weak bonding interaction with the pyridine ring. Effects of the iodine substituents on the stacking interactions between the diiodophenol side ring and the coordinated aromatic diamine and their possible biological relevance have been discussed. PMID:11666899
Weak Deeply Virtual Compton Scattering
Ales Psaker; Wolodymyr Melnitchouk; Anatoly Radyushkin
2007-03-01
We extend the analysis of the deeply virtual Compton scattering process to the weak interaction sector in the generalized Bjorken limit. The virtual Compton scattering amplitudes for the weak neutral and charged currents are calculated at the leading twist within the framework of the nonlocal light-cone expansion via coordinate space QCD string operators. Using a simple model, we estimate cross sections for neutrino scattering off the nucleon, relevant for future high intensity neutrino beam facilities.
NASA Astrophysics Data System (ADS)
Rybynok, V. O.; Kyriacou, P. A.
2007-10-01
Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media.
Accurate quantum chemical calculations
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
Weakly relativistic plasma expansion
Fermous, Rachid Djebli, Mourad
2015-04-15
Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamical multi-fluid equations, we investigated the expansion of both dense and under-dense plasmas. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. Numerical investigations have shown that relativistic effects are important for under-dense plasma and are characterized by a finite ion front velocity. Dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.
Zhang, Chi; Liu, Song; Zhou, Yaoqi
2006-04-01
Molecular networks in cells are organized into functional modules, where genes in the same module interact densely with each other and participate in the same biological process. Thus, identification of modules from molecular networks is an important step toward a better understanding of how cells function through the molecular networks. Here, we propose a simple, automatic method, called MC(2), to identify functional modules by enumerating and merging cliques in the protein-interaction data from large-scale experiments. Application of MC(2) to the S. cerevisiae protein-interaction data produces 84 modules, whose sizes range from 4 to 69 genes. The majority of the discovered modules are significantly enriched with a highly specific process term (at least 4 levels below root) and a specific cellular component in Gene Ontology (GO) tree. The average fraction of genes with the most enriched GO term for all modules is 82% for specific biological processes and 78% for specific cellular components. In addition, the predicted modules are enriched with coexpressed proteins. These modules are found to be useful for annotating unknown genes and uncovering novel functions of known genes. MC(2) is efficient, and takes only about 5 min to identify modules from the current yeast gene interaction network with a typical PC (Intel Xeon 2.5 GHz CPU and 512 MB memory). The CPU time of MC(2) is affordable (12 h) even when the number of interactions is increased by a factor of 10. MC(2) and its results are publicly available on http://theory.med.buffalo.edu/MC2. PMID:16602686
Weak Decays of Excited B Mesons.
Grinstein, B; Martin Camalich, J
2016-04-01
We investigate the decays of the excited (bq[over ¯]) mesons as probes of the short-distance structure of the weak ΔB=1 transitions. These states are unstable under the electromagnetic or strong interactions, although their widths are typically suppressed by phase space. Compared to the pseudoscalar B meson, the purely leptonic decays of the vector B^{*} are not chirally suppressed and are sensitive to different combinations of the underlying weak effective operators. An interesting example is B_{s}^{*}→ℓ^{+}ℓ^{-}, which has a rate that can be accurately predicted in the standard model. The branching fraction is B∼10^{-11}, irrespective of the lepton flavor and where the main uncertainty stems from the unmeasured and theoretically not well known B_{s}^{*} width. We discuss the prospects for producing this decay mode at the LHC and explore the possibility of measuring the B_{s}^{*}→ℓℓ amplitude, instead, through scattering experiments at the B_{s}^{*} resonance peak. PMID:27104698
Shikano, Yutaka
2011-03-28
I show that the weak value theory is useful from the viewpoints of the experimentally verifiability, consistency, capacity for explanation as to many quantum paradoxes, and practical advantages. As an example, the initial state in the Hardy paradox can be experimentally verified using the weak value via the weak measurement.
Cardoen, Wim; Gdanitz, Robert J
2005-07-01
We compute the potential-energy curve of the hydrogen fluoride molecule (HF) using a novel variant of the explicitly correlated multireference averaged coupled-pair functional method with a carefully selected basis set and reference space. After correcting for scalar relativistic effects and spin-orbit coupling, the potential is used to compute the dissociation energy, the equilibrium bond distance, the harmonic frequency, the anharmonicity, and the vibrational levels up to the dissociation limit. The errors in the equilibrium geometry constants compare favorably with the most elaborate (single reference) calculations of the literature. Starting at the region of RA/angstroms approximately 2,...,3, where the covalent HF bond begins to break and where single-reference methods become impractical, our potential begins to slightly underestimate the atomic interaction, which is reflected in an estimated error in the well depth of -0.2 kcal/mol. PMID:16050742
Pogodin, Sergey; López, Núria
2014-07-01
The theoretical study of catalysis would substantialy benefit from the use of atomistic simulations that can provide information beyond mean-field approaches. To date, the nanoscale understanding of surface reactions has been only qualitatively achieved by means of kinetic Monte Carlo coupled to density functional theory, KMC-DFT. Here, we examine a widely employed model for oxygen interaction with the RuO2(110) surface, a highly anisotropic system. Our analysis reveals several covert problems that render as questionable the model's predictions. We suggest an advanced approach that considers all the relevant elementary steps and configurations while smoothing the intrinsic errors in the DFT description of oxygen. Under these conditions, KMC provides quantitative agreement to temperature-programmed desorption experiments. These results illustrate how KMC-based simulations can be pushed forward so that they evolve toward being the standard methodology to study complex chemistry at the nanoscale. PMID:25061545
2014-01-01
The theoretical study of catalysis would substantialy benefit from the use of atomistic simulations that can provide information beyond mean-field approaches. To date, the nanoscale understanding of surface reactions has been only qualitatively achieved by means of kinetic Monte Carlo coupled to density functional theory, KMC-DFT. Here, we examine a widely employed model for oxygen interaction with the RuO2(110) surface, a highly anisotropic system. Our analysis reveals several covert problems that render as questionable the model’s predictions. We suggest an advanced approach that considers all the relevant elementary steps and configurations while smoothing the intrinsic errors in the DFT description of oxygen. Under these conditions, KMC provides quantitative agreement to temperature-programmed desorption experiments. These results illustrate how KMC-based simulations can be pushed forward so that they evolve toward being the standard methodology to study complex chemistry at the nanoscale. PMID:25061545
Kraft, T; Yu, L C; Kuhn, H J; Brenner, B
1992-01-01
In the presence of the nucleotide analog adenosine 5'-[gamma-thio]triphosphate (ATP[gamma S]), effects of Ca2+ on stiffness and equatorial x-ray diffraction patterns of single skinned fibers of the rabbit psoas muscle were studied. It is shown that cross-bridges in the presence of ATP[gamma S] have properties of the weak-binding states of the ATP hydrolysis cycle. Raising the Ca2+ concentration up to pCa 4.5 has little effect on actin affinity of cross-bridges in the presence of ATP[gamma S]. However, the rate constants for cross-bridge dissociation and reassociation from and to actin are reduced by about 2 orders of magnitude. In addition, nucleotide affinity of the cross-bridge is much smaller at high Ca2+ concentrations. Implications for interpretation of fiber stiffness recorded during isotonic shortening and the rising phase of a tetanus are discussed. PMID:1454820
Cook, C M; Persinger, M A
2001-04-01
We tested the hypothesis that proportionally more people with above average numbers of complex partial epileptic-like experiences before the experiment would report a proximal presence during applications of a weak (1 microTesla), frequency-modulated magnetic field over the right hemisphere. Each of 16 subjects sat in a darkened, quiet room and was exposed for 20 min. to complex fields, applied through a helmet, either along the right hemisphere or across both hemispheres. None of the 8 subjects with below average scores reported a presence during the applications of the magnetic fields while 75% and 60% of the 8 subjects with above average scores reported a presence during right hemispheric and bilateral stimulation, respectively. PMID:11361305
NASA Astrophysics Data System (ADS)
Nabi, Jameel-Un; Ishfaq, Mavra
2016-07-01
We calculate Gamow-Teller strength distributions for β β-decay nuclei ^{76}Ge and ^{82}Se using the deformed pn-QRPA model. We use a deformed Nilsson basis and consider pairing correlations within the deformed BCS theory. Ground state correlations and two-particle and two-hole mixing states were included in our pn-QRPA model. Our calculated strength distributions were compared with experimental data and previous calculation. The total Gamow-Teller strength and centroid placement calculated in our model compares well with the measured value. We calculate β-decay and positron capture rates on ^{76}Ge and ^{82}Se in supernovae environments and compare them to those obtained from experimental data and previous calculation. Our study shows that positron capture rates command the total weak rates at high stellar temperatures. We also calculate energy rates of β-delayed neutrons and their emission probabilities.
Weak-coupling calculations in the /sup 208/Pb core region
McGrory, J.B.
1981-01-01
The structure of Tl and Hg isotopes near the /sup 208/Pb core is discussed in terms of a weak-coupling model where low-lying proton-hole states are coupled to low-lying neutron-hole states. The even Pb isotopes are first discussed in terms of a generalized seniority-2 approximation which is shown to be very accurate. The weak-coupling results are not satisfactory, and it is suggested that the defeat may be in the n-p interaction.
Kunoh, Tatsuki; Wang, Weixiang; Kobayashi, Hiroaki; Matsuzaki, Daisuke; Togo, Yuki; Tokuyama, Masahiro; Hosoi, Miho; Koseki, Koichi; Wada, Shu-Ichi; Nagai, Nobuo; Nakamura, Toshinobu; Nomura, Shintaro; Hasegawa, Makoto; Sasaki, Ryuzo; Mizukami, Tamio
2015-01-01
Human dynactin-associated protein (dynAP) is a transmembrane protein that promotes AktSer473 phosphorylation. Here, we report the oncogenic properties of dynAP. In contrast to control NIH3T3 cells expressing LacZ (NIH3T3LacZ), NIH3T3dynAP cells vigorously formed foci in two-dimensional culture, colonies on soft agar, and spheroids in anchorage-deficient three-dimensional culture. NIH3T3dynAP cells injected into nude mice produced tumors with abundant blood vessels and weak cell-cell contacts. Expression of dynAP elevated the level of rictor (an essential subunit of mTORC2) and promoted phosphorylation of FOXO3aSer253. FOXO3a is a transcriptional factor that stimulates expression of pro-apoptotic genes and phosphorylation of FOXO3a abrogates its function, resulting in promoted cell survival. Knockdown of rictor in NIH3T3dynAP cells reduced AktSer473 phosphorylation and formation of foci, colony in soft agar and spheroid, indicating that dynAP-induced activation of the mTORC2/AktSer473 pathway for cell survival contributes to cell transformation. E-cadherin and its mRNA were markedly reduced upon expression of dynAP, giving rise to cells with higher motility, which may be responsible for the weak cell-cell adhesion in tumors. Thus, dynAP could be a new oncoprotein and a target for cancer therapy. PMID:26284361
Kunoh, Tatsuki; Wang, Weixiang; Kobayashi, Hiroaki; Matsuzaki, Daisuke; Togo, Yuki; Tokuyama, Masahiro; Hosoi, Miho; Koseki, Koichi; Wada, Shu-ichi; Nagai, Nobuo; Nakamura, Toshinobu; Nomura, Shintaro; Hasegawa, Makoto; Sasaki, Ryuzo; Mizukami, Tamio
2015-01-01
Human dynactin-associated protein (dynAP) is a transmembrane protein that promotes AktSer473 phosphorylation. Here, we report the oncogenic properties of dynAP. In contrast to control NIH3T3 cells expressing LacZ (NIH3T3LacZ), NIH3T3dynAP cells vigorously formed foci in two-dimensional culture, colonies on soft agar, and spheroids in anchorage-deficient three-dimensional culture. NIH3T3dynAP cells injected into nude mice produced tumors with abundant blood vessels and weak cell—cell contacts. Expression of dynAP elevated the level of rictor (an essential subunit of mTORC2) and promoted phosphorylation of FOXO3aSer253. FOXO3a is a transcriptional factor that stimulates expression of pro-apoptotic genes and phosphorylation of FOXO3a abrogates its function, resulting in promoted cell survival. Knockdown of rictor in NIH3T3dynAP cells reduced AktSer473 phosphorylation and formation of foci, colony in soft agar and spheroid, indicating that dynAP-induced activation of the mTORC2/AktSer473 pathway for cell survival contributes to cell transformation. E-cadherin and its mRNA were markedly reduced upon expression of dynAP, giving rise to cells with higher motility, which may be responsible for the weak cell-cell adhesion in tumors. Thus, dynAP could be a new oncoprotein and a target for cancer therapy. PMID:26284361
Optimizing SNAP for Weak Lensing
NASA Astrophysics Data System (ADS)
High, F. W.; Ellis, R. S.; Massey, R. J.; Rhodes, J. D.; Lamoureux, J. I.; SNAP Collaboration
2004-12-01
The Supernova/Acceleration Probe (SNAP) satellite proposes to measure weak gravitational lensing in addition to type Ia supernovae. Its pixel scale has been set to 0.10 arcsec per pixel as established by the needs of supernova observations. To find the optimal pixel scale for accurate weak lensing measurements we conduct a tradeoff study in which, via simulations, we fix the suvey size in total pixels and vary the pixel scale. Our preliminary results show that with a smaller scale of about 0.08 arcsec per pixel we can minimize the contribution of intrinsic shear variance to the error on the power spectrum of mass density distortion. Currently we are testing the robustness of this figure as well as determining whether dithering yields analogous results.
Fukuda, Ikuo; Kamiya, Narutoshi; Yonezawa, Yasushige; Nakamura, Haruki
2012-08-01
The zero-dipole summation method was extended to general molecular systems, and then applied to molecular dynamics simulations of an isotropic water system. In our previous paper [I. Fukuda, Y. Yonezawa, and H. Nakamura, J. Chem. Phys. 134, 164107 (2011)], for evaluating the electrostatic energy of a classical particle system, we proposed the zero-dipole summation method, which conceptually prevents the nonzero-charge and nonzero-dipole states artificially generated by a simple cutoff truncation. Here, we consider the application of this scheme to molecular systems, as well as some fundamental aspects of general cutoff truncation protocols. Introducing an idea to harmonize the bonding interactions and the electrostatic interactions in the scheme, we develop a specific algorithm. As in the previous study, the resulting energy formula is represented by a simple pairwise function sum, enabling facile applications to high-performance computation. The accuracy of the electrostatic energies calculated by the zero-dipole summation method with the atom-based cutoff was numerically investigated, by comparison with those generated by the Ewald method. We obtained an electrostatic energy error of less than 0.01% at a cutoff length longer than 13 Å for a TIP3P isotropic water system, and the errors were quite small, as compared to those obtained by conventional truncation methods. The static property and the stability in an MD simulation were also satisfactory. In addition, the dielectric constants and the distance-dependent Kirkwood factors were measured, and their coincidences with those calculated by the particle mesh Ewald method were confirmed, although such coincidences are not easily attained by truncation methods. We found that the zero damping-factor gave the best results in a practical cutoff distance region. In fact, in contrast to the zero-charge scheme, the damping effect was insensitive in the zero-charge and zero-dipole scheme, in the molecular system we
Angelici, G; Bhattacharjee, N; Roy, O; Faure, S; Didierjean, C; Jouffret, L; Jolibois, F; Perrin, L; Taillefumier, C
2016-03-25
The synthesis of all-cis amide (NtBu)-glycine oligomers up to 15 residues long by a blockwise coupling approach is reported. The structure and dynamical behavior of these peptoids have been studied by X-ray crystallography, NMR and molecular modeling. Analyses reveal that the folding of these oligomers is driven by weak CH···O=C hydrogen bonding along the peptoid backbone and London interaction between tBu···tBu side-chains. PMID:26940758
Agnese, R.
2016-02-01
The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Our results are presented from the second CDMSlite run with an exposure of 70 kg days, which reached an energy threshold for electron recoils as low as 56 eV. Furthermore, a fiducialization cut reduces backgrounds below those previously reported by CDMSlite. New parameter space for the WIMP-nucleon spin-independent cross section is excluded forWIMP masses between 1.6 and 5.5 GeV/c2.
NASA Astrophysics Data System (ADS)
Carelli, Fabio; Gianturco, Francesco Antonio
2016-06-01
The interaction of low-energy scattering electrons/positrons with molecular targets characterized by a "supercritical" permanent dipole moment (≳2.0 D) presents special physical characteristics that affect their spatial distributions, around the nuclear network of the molecular partners, both above and below the energy thresholds. Such special states are described as either dipole scattering states (DSS) above thresholds or as dipole bound states (DBS) below thresholds. The details of their respective behaviour will be presented and discussed in this work in the case of the purinic DNA bases of adenine and guanine. The behavior of the additional electron, in particular, will be discussed in detail by providing new computational results that will be related to the findings from recent experiments on the same DNA bases, confirming the transient electron's behaviour surmised by them. This work is affectionately dedicated to Michael Allan on the occasion of his official retirement. We wish to this dear friend and outstanding scientist many years to come in the happy pursuit of his many scientific interests.Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.
Li, Y.; Krieger, J.B. ); Norman, M.R. ); Iafrate, G.J. )
1991-11-15
The optimized-effective-potential (OEP) method and a method developed recently by Krieger, Li, and Iafrate (KLI) are applied to the band-structure calculations of noble-gas and alkali halide solids employing the self-interaction-corrected (SIC) local-spin-density (LSD) approximation for the exchange-correlation energy functional. The resulting band gaps from both calculations are found to be in fair agreement with the experimental values. The discrepancies are typically within a few percent with results that are nearly the same as those of previously published orbital-dependent multipotential SIC calculations, whereas the LSD results underestimate the band gaps by as much as 40%. As in the LSD---and it is believed to be the case even for the exact Kohn-Sham potential---both the OEP and KLI predict valence-band widths which are narrower than those of experiment. In all cases, the KLI method yields essentially the same results as the OEP.
Lukashevich, V. V.; Aldushchenkov, A. V.; Dallman, D.
2011-03-15
This paper considers a spin-dependent neutron interaction with optical potentials (fields) from the strong interaction, the weak interaction, and an assumed T-violating interaction. The vector sum of these fields and their interferences determines an effective field of the target with an angular position in space due to polar and azimuthal angles. The phase of the azimuthal component is found to be the sum of two angles. The tangent of the first angle is equal to the ratio of the T-violating forward-scattering amplitude D to the weak-interaction amplitude C. The quantity is of interest. The tangent of the second angle depends on the spin rotation in the residual pseudomagnetic field of the target, and it can be treated as a background effect. This paper shows that the second angle has different signs in measurements with polarized and unpolarized neutrons; thus, two measurements allow it to be compensated for. In addition, the use of the Ramsey method of separated oscillatory fields for measurement of the neutron spin rotation angle, depending on the phase of the rf field in the Ramsey cell, allows a cosine-like spectrum to be measured. This spectrum is called a phase spectrum. The phase spectra measured with polarized and unpolarized targets have a phase shift. The measurements of this phase shift with polarized and nonpolarized neutrons at a p-wave resonance enable the ratio D/C to be isolated. We also describe the algorithm for separating the ratio D/C, taking into account the influence of the fringing fields of the Ramsey coil magnet and the target magnet.
CP Violation, Neutral Currents, and Weak Equivalence
DOE R&D Accomplishments Database
Fitch, V. L.
1972-03-23
Within the past few months two excellent summaries of the state of our knowledge of the weak interactions have been presented. Correspondingly, we will not attempt a comprehensive review but instead concentrate this discussion on the status of CP violation, the question of the neutral currents, and the weak equivalence principle.
Staggering towards a calculation of weak amplitudes
Sharpe, S.R.
1988-09-01
An explanation is given of the methods required to calculate hadronic matrix elements of the weak Hamiltonians using lattice QCD with staggered fermions. New results are presented for the 1-loop perturbative mixing of the weak interaction operators. New numerical techniques designed for staggered fermions are described. A preliminary result for the kaon B parameter is presented. 24 refs., 3 figs.
Aperiodic Weak Topological Superconductors.
Fulga, I C; Pikulin, D I; Loring, T A
2016-06-24
Weak topological phases are usually described in terms of protection by the lattice translation symmetry. Their characterization explicitly relies on periodicity since weak invariants are expressed in terms of the momentum-space torus. We prove the compatibility of weak topological superconductors with aperiodic systems, such as quasicrystals. We go beyond usual descriptions of weak topological phases and introduce a novel, real-space formulation of the weak invariant, based on the Clifford pseudospectrum. A nontrivial value of this index implies a nontrivial bulk phase, which is robust against disorder and hosts localized zero-energy modes at the edge. Our recipe for determining the weak invariant is directly applicable to any finite-sized system, including disordered lattice models. This direct method enables a quantitative analysis of the level of disorder the topological protection can withstand. PMID:27391744
Aperiodic Weak Topological Superconductors
NASA Astrophysics Data System (ADS)
Fulga, I. C.; Pikulin, D. I.; Loring, T. A.
2016-06-01
Weak topological phases are usually described in terms of protection by the lattice translation symmetry. Their characterization explicitly relies on periodicity since weak invariants are expressed in terms of the momentum-space torus. We prove the compatibility of weak topological superconductors with aperiodic systems, such as quasicrystals. We go beyond usual descriptions of weak topological phases and introduce a novel, real-space formulation of the weak invariant, based on the Clifford pseudospectrum. A nontrivial value of this index implies a nontrivial bulk phase, which is robust against disorder and hosts localized zero-energy modes at the edge. Our recipe for determining the weak invariant is directly applicable to any finite-sized system, including disordered lattice models. This direct method enables a quantitative analysis of the level of disorder the topological protection can withstand.
Wang, Hui; Kelley, Steven P; Brantley, Jimmy W; Chatel, Gregory; Shamshina, Julia; Pereira, Jorge F B; Debbeti, Varun; Myerson, Allan S; Rogers, Robin D
2015-04-01
Liquid multi-ion systems made by combining two or more salts can exhibit charge ordering and interactions not found in the parent salts, leading to new sets of properties. This is investigated herein by examining a liquid comprised of a single cation, 1-ethyl-3-methylimidazolium ([C2mim](+)), and two anions with different properties, acetate ([OAc](-)) and bis(trifluoromethylsulfonyl)imide ([NTf2](-)). NMR and IR spectroscopy indicate that the electrostatic interactions are quite different from those in either [C2mim][OAc] or [C2mim][NTf2]. This is attributed to the ability of [OAc](-) to form complexes with the [C2mim](+) ions at greater than 1:1 stoichiometries by drawing [C2mim](+) ions away from the less basic [NTf2](-) ions. Solubility studies with molecular solvents (ethyl acetate, water) and pharmaceuticals (ibuprofen, diphenhydramine) show nonlinear trends as a function of ion content, which suggests that solubility can be tuned through changes in the ionic compositions. PMID:25652555
Sullivan, H S; Young, L S; White, C N; Sprague, K U
1994-01-01
Constitutive and silk gland-specific tRNA(Ala) genes from silkworms have very different transcriptional properties in vitro. Typically, the constitutive type, which encodes tRNA(AlaC), directs transcription much more efficiently than does the silk gland-specific type, which encodes tRNA(AlaSG). We think that the inefficiency of the tRNA(AlaCG) gene underlies its capacity to be turned off in non-silk gland cells. An economical model is that the tRNA(AlaSG) promoter interacts poorly, relative to the tRNA(AlaC) promoter, with one or more components of the basal transcription machinery. As a consequence, the tRNA(AlaSG) gene directs the formation of fewer transcription complexes or of complexes with reduced cycling ability. Here we show that the difference in the number of active transcription complexes accounts for the difference in tRNA(AlaC) and tRNA(AlaSG) transcription rates. To determine whether a particular component of the silkworm transcription machinery is responsible for reduced complex formation on the tRNA(AlaSG) gene, we measured competition by templates for defined fractions of this machinery. We find that the tRNA(AlaSG) gene is greatly impaired, in comparison with the tRNA(AlaC) gene, in competition for either TFIIIB or RNA polymerase III. Competition for each of these fractions is also strongly influenced by the nature of the 5' flanking sequence, the promoter element responsible for the distinctive transcriptional properties of tRNA(AlaSG) and tRNA(AlaC) genes. These results suggest that differential interaction with TFIIIB or RNA polymerase III is a critical functional distinction between these genes. Images PMID:8114713
Begeot, Flora; Koryakov, Dmitry E.; Todeschini, Anne-Laure; Ronsseray, Stéphane; Vieira, Cristina; Spierer, Pierre; Delattre, Marion
2014-01-01
Heterochromatin is made of repetitive sequences, mainly transposable elements (TEs), the regulation of which is critical for genome stability. We have analyzed the role of the heterochromatin-associated Su(var)3–7 protein in Drosophila ovaries. We present evidences that Su(var)3–7 is required for correct oogenesis and female fertility. It accumulates in heterochromatic domains of ovarian germline and somatic cells nuclei, where it co-localizes with HP1. Homozygous mutant females display ovaries with frequent degenerating egg-chambers. Absence of Su(var)3–7 in embryos leads to defects in meiosis and first mitotic divisions due to chromatin fragmentation or chromosome loss, showing that Su(var)3–7 is required for genome integrity. Females homozygous for Su(var)3–7 mutations strongly impair repression of P-transposable element induced gonadal dysgenesis but have minor effects on other TEs. Su(var)3–7 mutations reduce piRNA cluster transcription and slightly impact ovarian piRNA production. However, this modest piRNA reduction does not correlate with transposon de-silencing, suggesting that the moderate effect of Su(var)3–7 on some TE repression is not linked to piRNA production. Strikingly, Su(var)3–7 genetically interacts with the piwi and aubergine genes, key components of the piRNA pathway, by strongly impacting female fertility without impairing transposon silencing. These results lead us to propose that the interaction between Su(var)3–7 and piwi or aubergine controls important developmental processes independently of transposon silencing. PMID:24820312
Kubas, G.J.; Eckert, J.; Luo, X.L.
1997-07-01
This is the final report of a three-year Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). At the forefront of chemistry are efforts to catalytically transform the inert C-H bonds in alkanes to more useful products using metal compounds. The goal is to observe binding and cleavage of alkane C-H bonds on metals or to use related silane Si-H bonding as models, analogous to the discovery of hydrogen (H{sub 2}) binding to metals. Studies of these unique sigma complexes (M{hor_ellipsis}H-Y; Y{double_bond}H, Si, C) will aid in developing new catalysts or technologies relevant to DOE interest, e.g., new methods for tritium isotope separation. Several transition metals (Mo, W, Mn, and Pt) were found to reversibly bind and cleave H{sub 2}, silanes, and halocarbons. The first metal-SiH{sub 4} complexes, thus serving as a model for methane reactions. A second goal is to study the dynamics and energetics of H-Y bonds on metals by neutron scattering, and evidence for interactions between bound H-Y and nearby H atoms on metal complexes has been found.
Malkov, Yu A; Stepanov, A N; Yashunin, D A; Pugachev, L P; Levashov, P R; Andreev, N E; Andreev, Aleksandr A
2013-03-31
The formation of monoenergetic beams of accelerated electrons by focusing femtosecond laser radiation with an intensity of 2 Multiplication-Sign 10{sup 17} W cm{sup -2} onto an edge of aluminium foil has been experimentally demonstrated. The electrons had energy distributions peaking in the range from 0.2 to 0.8 MeV and an energy spread less than 20 %. The acceleration mechanism related to the generation of a plasma wave as a result of self-modulation instability of the laser pulse in the subcritical plasma formed the prepulse of the laser system (arriving 10 ns before the main pulse) is considered. Onedimensional PIC simulation of the interaction between the laser radiation and plasma with a concentration of 5 Multiplication-Sign 10{sup 19} cm{sup -3} showed that effective excitation of a plasma wave, as well as the trapping and acceleration of the electron beam with an energy on the order of 1 MeV, may occur in the presence of inhomogeneities in the density at the plasma boundary and in the temporal shape of the beam. (extreme light fields and their applications)
Martínez-Pinedo, G; Fischer, T; Lohs, A; Huther, L
2012-12-21
We perform three-flavor Boltzmann neutrino transport radiation hydrodynamics simulations covering a period of 3 s after the formation of a protoneutron star in a core-collapse supernova explosion. Our results show that a treatment of charged-current neutrino interactions in hot and dense matter as suggested by Reddy et al. [Phys. Rev. D 58, 013009 (1998)] has a strong impact on the luminosities and spectra of the emitted neutrinos. When compared with simulations that neglect mean-field effects on the neutrino opacities, we find that the luminosities of all neutrino flavors are reduced while the spectral differences between electron neutrinos and antineutrinos are increased. Their magnitude depends on the equation of state and in particular on the symmetry energy at subnuclear densities. These modifications reduce the proton-to-nucleon ratio of the outflow, increasing slightly their entropy. They are expected to have a substantial impact on nucleosynthesis in neutrino-driven winds, even though they do not result in conditions that favor an r process. Contrary to previous findings, our results show that the spectra of electron neutrinos remain substantially different from those of other (anti)neutrino flavors during the entire deleptonization phase of the protoneutron star. The obtained luminosity and spectral changes are also expected to have important consequences for neutrino flavor oscillations and neutrino detection on Earth. PMID:23368446
Titov, Aleksei A; Guseva, Ekaterina A; Filippov, Oleg A; Babakhina, Galina M; Godovikov, Ivan A; Belkova, Natalia V; Epstein, Lina M; Shubina, Elena S
2016-09-01
The nondestructive reversible complexation of the macrocyclic group 11 metal pyrazolates {[3,5-(CF3)2Pz]M}3 (M = Cu(I), Ag(I)) to the halogen atom X = Cl, Br of η(3)-allyliron tricarbonyl halides (η(3)-2-R-C3H4)Fe(CO)3X is revealed by the variable-temperature spectroscopic (IR, NMR) study combined with density functional theory calculations. The composition of all complexes at room temperature is determined as 1:1. In the case of the [AgL]3 macrocycle, complexes 1:2 are observed at low temperature (<260 K). The complex's stability depends on the substituents in the allyl fragment and halide ligand as well as on the metal atom (Ag(I), Cu(I)) in the macrocycle. For bulky substituents (Me and Ph) the endo/exo equilibrium of the parent (η(3)-2-R-C3H4)Fe(CO)3X shifts upon the complex formation in favor of the exo isomer due to additional noncovalent interactions of the substituent with macrocycle. PMID:27529380
Overdamping by weakly coupled environments
NASA Astrophysics Data System (ADS)
Esposito, Massimiliano; Haake, Fritz
2005-12-01
A quantum system weakly interacting with a fast environment usually undergoes a relaxation with complex frequencies whose imaginary parts are damping rates quadratic in the coupling to the environment in accord with Fermi’s “golden rule.” We show for various models (spin damped by harmonic-oscillator or random-matrix baths, quantum diffusion, and quantum Brownian motion) that upon increasing the coupling up to a critical value still small enough to allow for weak-coupling Markovian master equations, a different relaxation regime can occur. In that regime, complex frequencies lose their real parts such that the process becomes overdamped. Our results call into question the standard belief that overdamping is exclusively a strong coupling feature.
Overdamping by weakly coupled environments
Esposito, Massimiliano; Haake, Fritz
2005-12-15
A quantum system weakly interacting with a fast environment usually undergoes a relaxation with complex frequencies whose imaginary parts are damping rates quadratic in the coupling to the environment in accord with Fermi's 'golden rule'. We show for various models (spin damped by harmonic-oscillator or random-matrix baths, quantum diffusion, and quantum Brownian motion) that upon increasing the coupling up to a critical value still small enough to allow for weak-coupling Markovian master equations, a different relaxation regime can occur. In that regime, complex frequencies lose their real parts such that the process becomes overdamped. Our results call into question the standard belief that overdamping is exclusively a strong coupling feature.
Hostaš, Jiří; Jakubec, Dávid; Laskowski, Roman A; Gnanasekaran, Ramachandran; Řezáč, Jan; Vondrášek, Jiří; Hobza, Pavel
2015-09-01
Representative pairs of amino acid side chains and nucleic acid bases extracted from available high-quality structures of protein-DNA complexes were analyzed using a range of computational methods. CCSD(T)/CBS interaction energies were calculated for the chosen 272 pairs. These reference interaction energies were used to test the MP2.5/CBS, MP2.X/CBS, MP2-F12, DFT-D3, PM6, and Amber force field methods. Method MP2.5 provided excellent agreement with reference data (root-mean-square error (RMSE) of 0.11 kcal/mol), which is more than 1 order of magnitude faster than the CCSD(T) method. When MP2-F12 and MP2.5 were combined, the results were within reasonable accuracy (0.20 kcal/mol), with a computational savings of almost 2 orders of magnitude. Therefore, this method is a promising tool for accurate calculations of interaction energies in protein-DNA motifs of up to ∼100 atoms, for which CCSD(T)/CBS benchmark calculations are not feasible. B3-LYP-D3 calculated with def2-TZVPP and def2-QZVP basis sets yielded sufficiently good results with a reasonably small RMSE. This method provided better results for neutral systems, whereas positively charged species exhibited the worst agreement with the benchmark data. The Amber force field yielded unbalanced results-performing well for systems containing nonpolar amino acids but severely underestimating interaction energies for charged complexes. The semiempirical PM6 method with corrections for hydrogen bonding and dispersion energy (PM6-D3H4) exhibited considerably smaller error than the Amber force field, which makes it an effective tool for modeling extended protein-ligand complexes (of up to 10,000 atoms). PMID:26575904
NASA Astrophysics Data System (ADS)
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M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Serre, T.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shamim, M.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Shushkevich, S.; Sicho, P.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silver, Y.; Silverstein, S. B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simoniello, R.; Sinervo, P.; Sinev, N. B.; Siragusa, G.; Sisakyan, A. N.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snidero, G.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Solans, C. A.; Solar, M.; Solc, J.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Song, H. Y.; Soni, N.; Sood, A.; Sopczak, A.; Sopko, B.; Sopko, V.; Sorin, V.; Sosa, D.; Sosebee, M.; Sotiropoulou, C. L.; Soualah, R.; Soueid, P.; Soukharev, A. M.; South, D.; Spagnolo, S.; Spalla, M.; Spanò, F.; Spearman, W. R.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; Spreitzer, T.; St. Denis, R. D.; Staerz, S.; Stahlman, J.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, J.; Staroba, P.; Starovoitov, P.; Staszewski, R.; Stavina, P.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stern, S.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, E.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Subramaniam, R.; Succurro, A.; Sugaya, Y.; Suhr, C.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Suzuki, Y.; Svatos, M.; Swedish, S.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tam, J. Y. C.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tannoury, N.; Tapprogge, S.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, F. E.; Taylor, G. N.; Taylor, W.; Teischinger, F. A.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Therhaag, J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, R. J.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Thun, R. P.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tiouchichine, E.; Tipton, P.; Tisserant, S.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tollefson, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; True, P.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Ueda, I.; Ueno, R.; Ughetto, M.; Ugland, M.; Uhlenbrock, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valladolid Gallego, E.; Vallecorsa, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; van der Leeuw, R.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vannucci, F.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloce, L. M.; Veloso, F.; Velz, T.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vivarelli, I.; Vives Vaque, F.; Vlachos, S.; Vladoiu, D.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Warsinsky, M.; Washbrook, A.; Wasicki, C.; Watkins, P. M.; Watson, A. T.; Watson, I. J.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Wharton, A. M.; White, A.; White, M. J.; White, R.; White, S.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, A.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamada, M.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yao, L.; Yao, W.-M.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yurkewicz, A.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zurzolo, G.; Zwalinski, L.; Atlas Collaboration
2015-07-01
A search for the decay of neutral, weakly interacting, long-lived particles using data collected by the ATLAS detector at the LHC is presented. This analysis uses the full data set recorded in 2012: 20.3 fb-1 of proton-proton collision data at √{s }=8 TeV . The search employs techniques for reconstructing decay vertices of long-lived particles decaying to jets in the inner tracking detector and muon spectrometer. Signal events require at least two reconstructed vertices. No significant excess of events over the expected background is found, and limits as a function of proper lifetime are reported for the decay of the Higgs boson and other scalar bosons to long-lived particles and for Hidden Valley Z' and Stealth SUSY benchmark models. The first search results for displaced decays in Z' and Stealth SUSY models are presented. The upper bounds of the excluded proper lifetimes are the most stringent to date.
ERIC Educational Resources Information Center
Rom, Mark Carl
2011-01-01
Grades matter. College grading systems, however, are often ad hoc and prone to mistakes. This essay focuses on one factor that contributes to high-quality grading systems: grading accuracy (or "efficiency"). I proceed in several steps. First, I discuss the elements of "efficient" (i.e., accurate) grading. Next, I present analytical results…
NASA Astrophysics Data System (ADS)
Chen, Shao-Guang
According to f =d(mv)/dt=m(dv/dt)+ v(dm/dt), a same gravitational formula had been de-duced from the variance in physical mass of QFT and from the variance in mass of inductive energy-transfer of GR respectively: f QF T = f GR = -G (mM/r2 )((r/r)+(v/c)) when their interaction-constants are all taken the experimental values (H05-0029-08, E15-0039-08). f QF T is the quasi-Casimir pressure. f GR is equivalent to Einstein's equation, then more easy to solve it. The hypothesis of the equivalent principle is not used in f QF T , but required by f GR . The predictions of f QF T and f GR are identical except that f QF T has quantum effects but f GR has not and f GR has Lense-Thirring effect but f QF T has not. The quantum effects of gravitation had been verified by Nesvizhevsky et al with the ultracold neutrons falling in the earth's gravitational field in 2002. Yet Lense-Thirring effect had not been measured by GP-B. It shows that f QF T is essential but f GR is phenomenological. The macro-f QF T is the statistic average pressure collided by net virtual neutrinos ν 0 flux (after self-offset in opposite directions) and in direct proportion to the mass. But micro-f QF T is in direct proportion to the scattering section. The electric mass (in inverse proportion to de Broglie wavelength λ) far less than nucleonic mass and the electric scattering section (in direct proportion to λ2 ) far large than that of nucleon, then the net ν 0 flux pressure exerted to electron far large than that to nucleon and the electric displacement far large than that of nucleon, it causes the gravitational polarization of positive-negative charge center separation. Because the gravity far less than the electromagnetic binding force, in atoms the gravitational polarization only produces a little separation. But the net ν 0 flux can press a part freedom electrons in plasma of ionosphere into the earth's surface, the static electric force of redundant positive ions prevents electrons from further
NASA Astrophysics Data System (ADS)
Chen, Shao-Guang
According to f =d(mv)/dt=m(dv/dt)+ v(dm/dt), a same gravitational formula had been de-duced from the variance in physical mass of QFT and from the variance in mass of inductive energy-transfer of GR respectively: f QF T = f GR = -G (mM/r2 )((r/r)+(v/c)) when their interaction-constants are all taken the experimental values (H05-0029-08, E15-0039-08). f QF T is the quasi-Casimir pressure. f GR is equivalent to Einstein's equation, then more easy to solve it. The hypothesis of the equivalent principle is not used in f QF T , but required by f GR . The predictions of f QF T and f GR are identical except that f QF T has quantum effects but f GR has not and f GR has Lense-Thirring effect but f QF T has not. The quantum effects of gravitation had been verified by Nesvizhevsky et al with the ultracold neutrons falling in the earth's gravitational field in 2002. Yet Lense-Thirring effect had not been measured by GP-B. It shows that f QF T is essential but f GR is phenomenological. The macro-f QF T is the statistic average pressure collided by net virtual neutrinos ν 0 flux (after self-offset in opposite directions) and in direct proportion to the mass. But micro-f QF T is in direct proportion to the scattering section. The electric mass (in inverse proportion to de Broglie wavelength λ) far less than nucleonic mass and the electric scattering section (in direct proportion to λ2 ) far large than that of nucleon, then the net ν 0 flux pressure exerted to electron far large than that to nucleon and the electric displacement far large than that of nucleon, it causes the gravitational polarization of positive-negative charge center separation. Because the gravity far less than the electromagnetic binding force, in atoms the gravitational polarization only produces a little separation. But the net ν 0 flux can press a part freedom electrons in plasma of ionosphere into the earth's surface, the static electric force of redundant positive ions prevents electrons from further
Reversing entanglement change by a weak measurement
Sun Qingqing; Zubairy, M. Suhail; Al-Amri, M.; Davidovich, Luiz
2010-11-15
Entanglement of a system changes due to interactions with the environment. A typical type of interaction is amplitude damping. If we add a detector to monitor the environment and only select the no-damping outcome, this amplitude damping is modified into a weak measurement. Here we show that the entanglement change of a two-qubit state due to amplitude damping or weak measurement can be probabilistically reversed. For the amplitude-damping case, the entanglement partially recovers under most conditions. For the weak-measurement case, the recovery of the initial entangled state is exact. The reversal procedure involves another weak measurement, preceded and followed by bit flips applied to both qubits. We propose a linear optics scheme for the experimental demonstration of these procedures.
Accurate monotone cubic interpolation
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1991-01-01
Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.
Accurate Finite Difference Algorithms
NASA Technical Reports Server (NTRS)
Goodrich, John W.
1996-01-01
Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.
Weak quasielastic production of hyperons
Singh, S. K.; Vacas, M. J. Vicente
2006-09-01
The quasielastic weak production of {lambda} and {sigma} hyperons from nucleons and nuclei induced by antineutrinos is studied in the energy region of some ongoing neutrino oscillation experiments in the intermediate energy region. The hyperon-nucleon transition form factors determined from neutrino-nucleon scattering and an analysis of high precision data on semileptonic decays of neutron and hyperons using SU(3) symmetry have been used. The nuclear effects due to Fermi motion and final state interaction effects due to hyperon-nucleon scattering have also been studied. The numerical results for differential and total cross sections have been presented.
Electromagnetic weak turbulence theory revisited
Yoon, P. H.; Ziebell, L. F.; Gaelzer, R.; Pavan, J.
2012-10-15
The statistical mechanical reformulation of weak turbulence theory for unmagnetized plasmas including fully electromagnetic effects was carried out by Yoon [Phys. Plasmas 13, 022302 (2006)]. However, the wave kinetic equation for the transverse wave ignores the nonlinear three-wave interaction that involves two transverse waves and a Langmuir wave, the incoherent analogue of the so-called Raman scattering process, which may account for the third and higher-harmonic plasma emissions. The present paper extends the previous formalism by including such a term.
NASA Astrophysics Data System (ADS)
Chuang, S. Y.; Chang, F. H.; Bell, J. R.
Consideration is given to the development of a weak bond screening system which is based on the utilization of a high power ultrasonic (HPU) technique. The instrumentation of the prototype bond strength screening system is described, and the adhesively bonded specimens used in the system developmental effort are detailed. Test results obtained from these specimens are presented in terms of bond strength and level of high power ultrasound irradiation. The following observations were made: (1) for Al/Al specimens, 2.6 sec of HPU irradiation will screen weak bond conditions due to improper preparation of bonding surfaces; (2) for composite/composite specimens, 2.0 sec of HPU irradiation will disrupt weak bonds due to under-cured conditions; (3) for Al honeycomb core with composite skin structure, 3.5 sec of HPU irradiation will disrupt weak bonds due to bad adhesive or oils contamination of bonding surfaces; and (4) for Nomex honeycomb with Al skin structure, 1.3 sec of HPU irradiation will disrupt weak bonds due to bad adhesive.
NASA Technical Reports Server (NTRS)
Wilkes, B. J.; Mcdowell, J.
1994-01-01
Research into the optical, ultraviolet and infrared continuum emission from quasars and their host galaxies was carried out. The main results were the discovery of quasars with unusually weak infrared emission and the construction of a quantitative estimate of the dispersion in quasar continuum properties. One of the major uncertainties in the measurement of quasar continuum strength is the contribution to the continuum of the quasar host galaxy as a function of wavelength. Continuum templates were constructed for different types of host galaxy and individual estimates made of the decomposed quasar and host continua based on existing observations of the target quasars. The results are that host galaxy contamination is worse than previously suspected, and some apparent weak bump quasars are really normal quasars with strong host galaxies. However, the existence of true weak bump quasars such as PHL 909 was confirmed. The study of the link between the bump strength and other wavebands was continued by comparing with IRAS data. There is evidence that excess far infrared radiation is correlated with weaker ultraviolet bumps. This argues against an orientation effect and implies a probable link with the host galaxy environment, for instance the presence of a luminous starburst. However, the evidence still favors the idea that reddening is not important in those objects with ultraviolet weak bumps. The same work has led to the discovery of a class of infrared weak quasars. Pushing another part of the envelope of quasar continuum parameter space, the IR-weak quasars have implications for understanding the effects of reddening internal to the quasars, the reality of ultraviolet turnovers, and may allow further tests of the Phinney dust model for the IR continuum. They will also be important objects for studying the claimed IR to x-ray continuum correlation.
NASA Technical Reports Server (NTRS)
Mcdowell, Jonathan C.; Elvis, Martin; Wilkes, Belinda J.; Willner, Steven P.; Oey, M. S.
1989-01-01
The recent emphasis on big bumps dominating the UV continuum of quasars has obscured the facts that bump properties vary widely and that there are objects in which no such component is evident. As part of a survey of quasar continuum spectra, a class of quasars is identified in which the optical-UV continuum big bump feature appears to be weak or absent, relative to both IR and X-ray. These weak bump quasars are otherwise normal objects and constitute a few percent of the quasar population.
NASA Technical Reports Server (NTRS)
Mcdowell, J. C.; Elvis, M.; Wilkes, B. J.
1992-01-01
Examples of quasars with anomalously weak IR emission are presented, and the effects of starlight subtraction on estimates of the UV and IR component strengths are discussed. Inferred model parameters are very sensitive to the position of the peak of the UV energy distribution. In many low redshift objects the peak is not seen; even in those objects where the turnover is clear, the turnover may not be intrinsic but instead due to reddening within the quasar host galaxy. The small number of unusual quasars with weak IR emission will be of utility as a probe of the quasar phenomenon in the absence of dominant dust reprocessing.
NASA Astrophysics Data System (ADS)
Hunter, John K.; Brio, Moysey
2000-05-01
We present numerical solutions of a two-dimensional inviscid Burgers equation which provides an asymptotic description of the Mach reflection of weak shocks. In our numerical solutions, the incident, reflected, and Mach shocks meet at a triple point, and there is a supersonic patch behind the triple point, as proposed by Guderley for steady weak-shock reflection. A theoretical analysis indicates that there is an expansion fan at the triple point, in addition to the three shocks. The supersonic patch is extremely small, and this work is the first time it has been resolved.
NASA Astrophysics Data System (ADS)
Steinberg, Aephraim; Feizpour, Amir; Rozema; Mahler; Hayat
2013-03-01
Quantum physics is being transformed by a radical new conceptual and experimental approach known as weak measurement that can do everything from tackling basic quantum mysteries to mapping the trajectories of photons in a Young's double-slit experiment. Aephraim Steinberg, Amir Feizpour, Lee Rozema, Dylan Mahler and Alex Hayat unveil the power of this new technique.
Weaknesses in Underperforming Schools
ERIC Educational Resources Information Center
van de Grift, Wim; Houtveen, Thoni
2007-01-01
In some Dutch elementary schools, the average performance of students over several years is significantly below the level that could be expected of them. This phenomenon is known as "underperformance." The most important identifiable weaknesses that go along with this phenomenon are that (a) learning material offered at school is insufficient to…
Venugopalan, Poothirikovil; Sivakumar, Puthuval; Ardley, Robert G.; Oates, Crispian
2012-01-01
We present an 11year-old boy with a weak right radial pulse, and describe the successful application of vascular ultrasound to identify the ulnar artery dominance and a thin right radial artery with below normal Doppler flow velocity that could explain the discrepancy. The implications of identifying this anomaly are discussed. PMID:22375269
NASA Astrophysics Data System (ADS)
Wittman, David M.; Jain, B.; Jarvis, M.; Knox, L.; Margoniner, V.; Takada, M.; Tyson, J.; Zhan, H.; LSST Weak Lensing Science Collaboration
2006-12-01
Constraining dark energy parameters with weak lensing is one of the primary science goals of the LSST. The LSST Weak Lensing Science Collaboration has been formed with the goal of optimizing the weak lensing science by optimizing the survey cadence; working with Data Management to insure high-quality pipeline processing which will meet our needs; developing the necessary analysis tools well before the onset of data-taking; participating in high-fidelity simulations to test the system end-to-end; and analyzing the real dataset as it becomes available. We review the major weak lensing probes, the twoand three-point shear correlations, and how they constrain dark energy parameters. We also review the possibility of going beyond dark energy models and testing gravity with the LSST data. To realize the promise of the awesome LSST statistical precision, we must ensure that systematic errors are kept under control. We review the major sources of systematics and our plans for mitigation. We present data that demonstrate that these sources of systematics can be kept to a level smaller than the statistical error.
NASA Astrophysics Data System (ADS)
Itano, Wayne M.; Ramsey, Norman F.
1993-07-01
The paper discusses current methods for accurate measurements of time by conventional atomic clocks, with particular attention given to the principles of operation of atomic-beam frequency standards, atomic hydrogen masers, and atomic fountain and to the potential use of strings of trapped mercury ions as a time device more stable than conventional atomic clocks. The areas of application of the ultraprecise and ultrastable time-measuring devices that tax the capacity of modern atomic clocks include radio astronomy and tests of relativity. The paper also discusses practical applications of ultraprecise clocks, such as navigation of space vehicles and pinpointing the exact position of ships and other objects on earth using the GPS.
Calbo, Joaquín; Ortí, Enrique; Sancho-García, Juan C; Aragó, Juan
2015-03-10
In this work, we present a thorough assessment of the performance of some representative double-hybrid density functionals (revPBE0-DH-NL and B2PLYP-NL) as well as their parent hybrid and GGA counterparts, in combination with the most modern version of the nonlocal (NL) van der Waals correction to describe very large weakly interacting molecular systems dominated by noncovalent interactions. Prior to the assessment, an accurate and homogeneous set of reference interaction energies was computed for the supramolecular complexes constituting the L7 and S12L data sets by using the novel, precise, and efficient DLPNO-CCSD(T) method at the complete basis set limit (CBS). The correction of the basis set superposition error and the inclusion of the deformation energies (for the S12L set) have been crucial for obtaining precise DLPNO-CCSD(T)/CBS interaction energies. Among the density functionals evaluated, the double-hybrid revPBE0-DH-NL and B2PLYP-NL with the three-body dispersion correction provide remarkably accurate association energies very close to the chemical accuracy. Overall, the NL van der Waals approach combined with proper density functionals can be seen as an accurate and affordable computational tool for the modeling of large weakly bonded supramolecular systems. PMID:26579747
Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Aben, R.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Abreu, R.; et al
2015-07-17
A search for the decay of neutral, weakly interacting, long-lived particles using data collected by the ATLAS detector at the LHC is presented. This analysis uses the full data set recorded in 2012: 20.3 fb-1 of proton-proton collision data at √s = 8 TeV. The search employs techniques for reconstructing decay vertices of long-lived particles decaying to jets in the inner tracking detector and muon spectrometer. Signal events require at least two reconstructed vertices. No significant excess of events over the expected background is found, and limits as a function of proper lifetime are reported for the decay of themore » Higgs boson and other scalar bosons to long-lived particles and for Hidden Valley Z' and Stealth SUSY benchmark models. The first search results for displaced decays in Z' and Stealth SUSY models are presented. The upper bounds of the excluded proper lifetimes are the most stringent to date.« less
NASA Astrophysics Data System (ADS)
Pires, Sandrine; Starck, Jean-Luc; Leonard, Adrienne; Réfrégier, Alexandre
2012-03-01
This chapter reviews the data mining methods recently developed to solve standard data problems in weak gravitational lensing. We detail the different steps of the weak lensing data analysis along with the different techniques dedicated to these applications. An overview of the different techniques currently used will be given along with future prospects. Until about 30 years ago, astronomers thought that the Universe was composed almost entirely of ordinary matter: protons, neutrons, electrons, and atoms. The field of weak lensing has been motivated by the observations made in the last decades showing that visible matter represents only about 4-5% of the Universe (see Figure 14.1). Currently, the majority of the Universe is thought to be dark, that is, does not emit electromagnetic radiation. The Universe is thought to be mostly composed of an invisible, pressure less matter - potentially relic from higher energy theories - called "dark matter" (20-21%) and by an even more mysterious term, described in Einstein equations as a vacuum energy density, called "dark energy" (70%). This "dark" Universe is not well described or even understood; its presence is inferred indirectly from its gravitational effects, both on the motions of astronomical objects and on light propagation. So this point could be the next breakthrough in cosmology. Today's cosmology is based on a cosmological model that contains various parameters that need to be determined precisely, such as the matter density parameter Omega_m or the dark energy density parameter Omega_lambda. Weak gravitational lensing is believed to be the most promising tool to understand the nature of dark matter and to constrain the cosmological parameters used to describe the Universe because it provides a method to directly map the distribution of dark matter (see [1,6,60,63,70]). From this dark matter distribution, the nature of dark matter can be better understood and better constraints can be placed on dark energy
Wong, Yong Foo; Chin, Sung-Tong; Perlmutter, Patrick; Marriott, Philip J
2015-03-27
To explore the possible obligate interactions between the phytopathogenic fungus and Aquilaria malaccensis which result in generation of a complex array of secondary metabolites, we describe a comprehensive two-dimensional gas chromatography (GC × GC) method, coupled to accurate mass time-of-flight mass spectrometry (TOFMS) for the untargeted and comprehensive metabolic profiling of essential oils from naturally infected A. malaccensis trees. A polar/non-polar column configuration was employed, offering an improved separation pattern of components when compared to other column sets. Four different grades of the oils displayed quite different metabolic patterns, suggesting the evolution of a signalling relationship between the host tree (emergence of various phytoalexins) and fungi (activation of biotransformation). In total, ca. 550 peaks/metabolites were detected, of which tentative identification of 155 of these compounds was reported, representing between 20.1% and 53.0% of the total ion count. These are distributed over the chemical families of monoterpenic and sesquiterpenic hydrocarbons, oxygenated monoterpenes and sesquiterpenes (comprised of ketone, aldehyde, oxide, alcohol, lactone, keto-alcohol and diol), norterpenoids, diterpenoids, short chain glycols, carboxylic acids and others. The large number of metabolites detected, combined with the ease with which they are located in the 2D separation space, emphasises the importance of a comprehensive analytical approach for the phytochemical analysis of plant metabolomes. Furthermore, the potential of this methodology in grading agarwood oils by comparing the obtained metabolic profiles (pattern recognition for unique metabolite chemical families) is discussed. The phytocomplexity of the agarwood oils signified the production of a multitude of plant-fungus mediated secondary metabolites as chemical signals for natural ecological communication. To the best of our knowledge, this is the most complete
Weak antilocalisation in topological insulators
NASA Astrophysics Data System (ADS)
Bi, Xintao; Hankiewicz, Ewelina; Culcer, Dimitrie
2014-03-01
Topological insulators (TI) have changed our understanding of insulating behaviour. They are insulators in the bulk but conducting along their surfaces due to spin-orbit interaction. Much of the recent research focuses on overcoming the transport bottleneck, the fact that surface state transport is overwhelmed by bulk transport stemming from unintentional doping. The key to overcoming this bottleneck is identifying unambiguous signatures of surface state transport. This talk will discuss one such signature, which is manifest in the coherent backscattering of electrons. Due to strong spin-orbit coupling in TI one expects to observe weak antilocalisation rather than weak localisation, meaning that coherent backscattering increases the electrical conductivity. The features of this effect, however, are rather subtle, because in TI the impurities have strong spin-orbit coupling as well. I will show that spin-orbit coupled impurities introduce an additional time scale, which is expected to be shorter than the dephasing time, and the resulting conductivity has a logarithmic dependence on the carrier density, a behaviour hitherto unknown in 2D electron systems. The result we predict is observable experimentally and would provide a smoking gun test of surface transport.
Condensate fluctuations of interacting Bose gases within a microcanonical ensemble
Wang Jianhui; He Jizhou; Ma Yongli
2011-05-15
Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.
Weakly broken galileon symmetry
Pirtskhalava, David; Santoni, Luca; Trincherini, Enrico; Vernizzi, Filippo
2015-09-01
Effective theories of a scalar ϕ invariant under the internal galileon symmetryϕ→ϕ+b{sub μ}x{sup μ} have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon’s quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.
Grace, R.
1983-01-01
The Moby Dick spectrometer (at BNL) in coincidence with a range spectrometer and a TOF neutron detector will be used to study the weak decay modes of /sup 12/C. The Moby Dick spectrometer will be used to reconstruct and tag events in which specific hypernuclear states are formed in the reaction K/sup -/ + /sup 12/C ..-->.. ..pi../sup -/ + /sup 12/C. Subsequent emission of decay products (pions, protons and neutrons) in coincidence with the fast forward pion will be detected in a time and range spectrometer, and a neutron detector.
Kuznetsov, Yu L; Kalchenko, V V; Astaf'eva, N G; Meglinski, I V
2014-08-31
The capability of using the laser speckle contrast imaging technique with a long exposure time for visualisation of primary acute skin vascular reactions caused by a topical application of a weak contact allergen is considered. The method is shown to provide efficient and accurate detection of irritant-induced primary acute vascular reactions of skin. The presented technique possesses a high potential in everyday diagnostic practice, preclinical studies, as well as in the prognosis of skin reactions to the interaction with potentially allergenic materials. (laser biophotonics)
Accurate thickness measurement of graphene
NASA Astrophysics Data System (ADS)
Shearer, Cameron J.; Slattery, Ashley D.; Stapleton, Andrew J.; Shapter, Joseph G.; Gibson, Christopher T.
2016-03-01
Graphene has emerged as a material with a vast variety of applications. The electronic, optical and mechanical properties of graphene are strongly influenced by the number of layers present in a sample. As a result, the dimensional characterization of graphene films is crucial, especially with the continued development of new synthesis methods and applications. A number of techniques exist to determine the thickness of graphene films including optical contrast, Raman scattering and scanning probe microscopy techniques. Atomic force microscopy (AFM), in particular, is used extensively since it provides three-dimensional images that enable the measurement of the lateral dimensions of graphene films as well as the thickness, and by extension the number of layers present. However, in the literature AFM has proven to be inaccurate with a wide range of measured values for single layer graphene thickness reported (between 0.4 and 1.7 nm). This discrepancy has been attributed to tip-surface interactions, image feedback settings and surface chemistry. In this work, we use standard and carbon nanotube modified AFM probes and a relatively new AFM imaging mode known as PeakForce tapping mode to establish a protocol that will allow users to accurately determine the thickness of graphene films. In particular, the error in measuring the first layer is reduced from 0.1-1.3 nm to 0.1-0.3 nm. Furthermore, in the process we establish that the graphene-substrate adsorbate layer and imaging force, in particular the pressure the tip exerts on the surface, are crucial components in the accurate measurement of graphene using AFM. These findings can be applied to other 2D materials.
Accurate ab Initio Spin Densities
2012-01-01
We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740]. PMID:22707921
A highly accurate interatomic potential for argon
NASA Astrophysics Data System (ADS)
Aziz, Ronald A.
1993-09-01
A modified potential based on the individually damped model of Douketis, Scoles, Marchetti, Zen, and Thakkar [J. Chem. Phys. 76, 3057 (1982)] is presented which fits, within experimental error, the accurate ultraviolet (UV) vibration-rotation spectrum of argon determined by UV laser absorption spectroscopy by Herman, LaRocque, and Stoicheff [J. Chem. Phys. 89, 4535 (1988)]. Other literature potentials fail to do so. The potential also is shown to predict a large number of other properties and is probably the most accurate characterization of the argon interaction constructed to date.
Weak localization effect in superconducting thin films
NASA Astrophysics Data System (ADS)
Kim, Yong-Jihn; Chang, K. J.
1997-03-01
It was claimed(1. R. C. Dynes et al., Phys. Rev. Lett. 57), 2195 (1986). that the Eliashberg theory breaks down for two-dimensional superconductivity in weakly disordered systems. From tunneling measurements on Pb films, both the electron-phonon interaction λ and the Coulomb pseudopotential μ^* were suggested to decrease by disordering. In this problem, it was previously noted that the Dyson expansion of Green's function in the presence of impurities is inappropriate.(2. Y.-J. Kim and A. W. Overhauser, Phys. Rev. B47), 8025 (1993). Alternatively, employing time-reversed scattered-state pairs, we note that the phonon-mediated coupling parameter λ is decreased by weak localization. With solving both the BCS and Eliashberg gap equations, we find good agreements between our calculations and existing experimental data. We also discuss the weak localization effect on superconductivity in one- and three-dimensional systems.
Cumulants and the moment algebra: Tools for analyzing weak measurements
Aaberg, Johan; Mitchison, Graeme
2009-04-15
Recently it has been shown that cumulants significantly simplify the analysis of multipartite weak measurements. Here we consider the mathematical structure that underlies this and find that it can be formulated in terms of what we call the moment algebra. Apart from resulting in simpler proofs, the flexibility of this structure allows generalizations of the original results to a number of weak measurement scenarios, including one where the weakly interacting pointers reach thermal equilibrium with the probed system.
Model reduction of strong-weak neurons.
Du, Bosen; Sorensen, Danny; Cox, Steven J
2014-01-01
We consider neurons with large dendritic trees that are weakly excitable in the sense that back propagating action potentials are severly attenuated as they travel from the small, strongly excitable, spike initiation zone. In previous work we have shown that the computational size of weakly excitable cell models may be reduced by two or more orders of magnitude, and that the size of strongly excitable models may be reduced by at least one order of magnitude, without sacrificing the spatio-temporal nature of its inputs (in the sense we reproduce the cell's precise mapping of inputs to outputs). We combine the best of these two strategies via a predictor-corrector decomposition scheme and achieve a drastically reduced highly accurate model of a caricature of the neuron responsible for collision detection in the locust. PMID:25566048
Model reduction of strong-weak neurons
Du, Bosen; Sorensen, Danny; Cox, Steven J.
2014-01-01
We consider neurons with large dendritic trees that are weakly excitable in the sense that back propagating action potentials are severly attenuated as they travel from the small, strongly excitable, spike initiation zone. In previous work we have shown that the computational size of weakly excitable cell models may be reduced by two or more orders of magnitude, and that the size of strongly excitable models may be reduced by at least one order of magnitude, without sacrificing the spatio–temporal nature of its inputs (in the sense we reproduce the cell's precise mapping of inputs to outputs). We combine the best of these two strategies via a predictor-corrector decomposition scheme and achieve a drastically reduced highly accurate model of a caricature of the neuron responsible for collision detection in the locust. PMID:25566048
Wafer weak point detection based on aerial images or WLCD
NASA Astrophysics Data System (ADS)
Ning, Guoxiang; Philipp, Peter; Litt, Lloyd C.; Ackmann, Paul; Crell, Christian; Chen, Norman
2015-10-01
Aerial image measurement is a key technique for model based optical proximity correction (OPC) verification. Actual aerial images obtained by AIMS (aerial image measurement system) or WLCD (wafer level critical dimension) can detect printed wafer weak point structures in advance of wafer exposure and defect inspection. Normally, the potential wafer weak points are determined based on optical rule check (ORC) simulation in advance. However, the correlation to real wafer weak points is often not perfect due to the contribution of mask three dimension (M3D) effects, actual mask errors, and scanner lens effects. If the design weak points can accurately be detected in advance, it will reduce the wafer fab cost and improve cycle time. WLCD or AIMS tools are able to measure the aerial images CD and bossung curve through focus window. However, it is difficult to detect the wafer weak point in advance without defining selection criteria. In this study, wafer weak points sensitive to mask mean-to-nominal values are characterized for a process with very high MEEF (normally more than 4). Aerial image CD uses fixed threshold to detect the wafer weak points. By using WLCD through threshold and focus window, the efficiency of wafer weak point detection is also demonstrated. A novel method using contrast range evaluation is shown in the paper. Use of the slope of aerial images for more accurate detection of the wafer weak points using WLCD is also discussed. The contrast range can also be used to detect the wafer weak points in advance. Further, since the mean to nominal of the reticle contributes to the effective contrast range in a high MEEF area this work shows that control of the mask error is critical for high MEEF layers such as poly, active and metal layers. Wafer process based weak points that cannot be detected by wafer lithography CD or WLCD will be discussed.
Second-order accurate nonoscillatory schemes for scalar conservation laws
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1989-01-01
Explicit finite difference schemes for the computation of weak solutions of nonlinear scalar conservation laws is presented and analyzed. These schemes are uniformly second-order accurate and nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time.
Weak localization with nonlinear bosonic matter waves
Hartmann, Timo; Michl, Josef; Petitjean, Cyril; Wellens, Thomas; Urbina, Juan-Diego; Richter, Klaus; Schlagheck, Peter
2012-08-15
We investigate the coherent propagation of dilute atomic Bose-Einstein condensates through irregularly shaped billiard geometries that are attached to uniform incoming and outgoing waveguides. Using the mean-field description based on the nonlinear Gross-Pitaevskii equation, we develop a diagrammatic theory for the self-consistent stationary scattering state of the interacting condensate, which is combined with the semiclassical representation of the single-particle Green function in terms of chaotic classical trajectories within the billiard. This analytical approach predicts a universal dephasing of weak localization in the presence of a small interaction strength between the atoms, which is found to be in good agreement with the numerically computed reflection and transmission probabilities of the propagating condensate. The numerical simulation of this quasi-stationary scattering process indicates that this interaction-induced dephasing mechanism may give rise to a signature of weak antilocalization, which we attribute to the influence of non-universal short-path contributions. - Highlights: Black-Right-Pointing-Pointer Numerical simulation of scattering of Bose-Einstein condensate through billiards. Black-Right-Pointing-Pointer Novel analytical semiclassical theory for nonlinear coherent scattering. Black-Right-Pointing-Pointer Inversion of weak localization due to mean-field interaction within the condensate. Black-Right-Pointing-Pointer Relevance of non-universal short-path contributions.
Weak crystallization theory of metallic alloys
NASA Astrophysics Data System (ADS)
Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.
2016-06-01
Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. We identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. As an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.
Pixelation Effects in Weak Lensing
NASA Technical Reports Server (NTRS)
High, F. William; Rhodes, Jason; Massey, Richard; Ellis, Richard
2007-01-01
Weak gravitational lensing can be used to investigate both dark matter and dark energy but requires accurate measurements of the shapes of faint, distant galaxies. Such measurements are hindered by the finite resolution and pixel scale of digital cameras. We investigate the optimum choice of pixel scale for a space-based mission, using the engineering model and survey strategy of the proposed Supernova Acceleration Probe as a baseline. We do this by simulating realistic astronomical images containing a known input shear signal and then attempting to recover the signal using the Rhodes, Refregier, and Groth algorithm. We find that the quality of shear measurement is always improved by smaller pixels. However, in practice, telescopes are usually limited to a finite number of pixels and operational life span, so the total area of a survey increases with pixel size. We therefore fix the survey lifetime and the number of pixels in the focal plane while varying the pixel scale, thereby effectively varying the survey size. In a pure trade-off for image resolution versus survey area, we find that measurements of the matter power spectrum would have minimum statistical error with a pixel scale of 0.09' for a 0.14' FWHM point-spread function (PSF). The pixel scale could be increased to 0.16' if images dithered by exactly half-pixel offsets were always available. Some of our results do depend on our adopted shape measurement method and should be regarded as an upper limit: future pipelines may require smaller pixels to overcome systematic floors not yet accessible, and, in certain circumstances, measuring the shape of the PSF might be more difficult than those of galaxies. However, the relative trends in our analysis are robust, especially those of the surface density of resolved galaxies. Our approach thus provides a snapshot of potential in available technology, and a practical counterpart to analytic studies of pixelation, which necessarily assume an idealized shape
Pixelation Effects in Weak Lensing
NASA Astrophysics Data System (ADS)
High, F. William; Rhodes, Jason; Massey, Richard; Ellis, Richard
2007-11-01
Weak gravitational lensing can be used to investigate both dark matter and dark energy but requires accurate measurements of the shapes of faint, distant galaxies. Such measurements are hindered by the finite resolution and pixel scale of digital cameras. We investigate the optimum choice of pixel scale for a space-based mission, using the engineering model and survey strategy of the proposed Supernova Acceleration Probe as a baseline. We do this by simulating realistic astronomical images containing a known input shear signal and then attempting to recover the signal using the Rhodes, Refregier, & Groth algorithm. We find that the quality of shear measurement is always improved by smaller pixels. However, in practice, telescopes are usually limited to a finite number of pixels and operational life span, so the total area of a survey increases with pixel size. We therefore fix the survey lifetime and the number of pixels in the focal plane while varying the pixel scale, thereby effectively varying the survey size. In a pure trade-off for image resolution versus survey area, we find that measurements of the matter power spectrum would have minimum statistical error with a pixel scale of 0.09" for a 0.14" FWHM point-spread function (PSF). The pixel scale could be increased to ~0.16" if images dithered by exactly half-pixel offsets were always available. Some of our results do depend on our adopted shape measurement method and should be regarded as an upper limit: future pipelines may require smaller pixels to overcome systematic floors not yet accessible, and, in certain circumstances, measuring the shape of the PSF might be more difficult than those of galaxies. However, the relative trends in our analysis are robust, especially those of the surface density of resolved galaxies. Our approach thus provides a snapshot of potential in available technology, and a practical counterpart to analytic studies of pixelation, which necessarily assume an idealized shape
WEAK LENSING MASS RECONSTRUCTION: FLEXION VERSUS SHEAR
Pires, S.
2010-11-10
Weak gravitational lensing has proven to be a powerful tool to map directly the distribution of dark matter in the universe. The technique, currently used, relies on the accurate measurement of the gravitational shear that corresponds to the first-order distortion of the background galaxy images. More recently, a new technique has been introduced that relies on the accurate measurement of the gravitational flexion that corresponds to the second-order distortion of the background galaxy images. This technique should probe structures on smaller scales than that of shear analysis. The goal of this paper is to compare the ability of shear and flexion to reconstruct the dark matter distribution by taking into account the dispersion in shear and flexion measurements. Our results show that the flexion is less sensitive than shear for constructing the convergence maps on scales that are physically feasible for mapping, meaning that flexion alone should not be used to do convergence map reconstruction, even on small scales.
Metal Nanostructure Formation on Graphene: Weak versus Strong Bonding
Hupalo, Myron; Liu, Xiaojie; Wang, Cai-Zhuang; Lu, Wen-Cai; Yao, Yon-Xin; Ho, Kai-Ming; Tringides, Michael C.
2011-05-10
Graphene is an exciting material with numerous potential applications. To understand metal graphene interaction two different metals were studied. Two large Pb islands nucleate at 78K indicating fast diffusion and weak interaction(right). On the contrary, for Dysprosium a high island density is observed confirming slow diffusion and strong interaction(left).
NASA Astrophysics Data System (ADS)
Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Berezkin, K. B.; Kashirina, N. V.; Tan, T. L.; Sydow, C.; Maul, C.; Bauerecker, S.
2016-09-01
The highly accurate (experimental accuracy in line positions ~(1 - 3) ×10-4cm-1) FTIR ro-vibrational spectra of CH2=CD2 in the region of 600-1300 cm-1, where the fundamental bands ν10, ν7, ν4, ν8, ν3, and ν6 are located, were recorded and analyzed with the Hamiltonian model which takes into account resonance interactions between all six studied bands. About 12 200 ro-vibrational transitions belonging to these bands (that is considerably more than it was made in the preceding studies for the bands ν10, ν7, ν8, ν3 and ν6; transitions belonging to the ν4 band were assigned for the first time) were assigned in the experimental spectra with the maximum values of quantum numbers Jmax. / Kamax . equal to 31/20, 46/18, 33/11, 50/26, 44/20 and 42/21 for the bands ν10, ν7, ν4, ν8, ν3, and ν6, respectively. On that basis, a set of 133 vibrational, rotational, centrifugal distortion and resonance interaction parameters was obtained from the weighted fit. They reproduce values of 3920 initial "experimental" ro-vibrational energy levels (positions of about 12 200 experimentally recorded and assigned transitions) with the rms error drms = 2.3 ×10-4cm-1.
Extrapolating Weak Selection in Evolutionary Games
Wu, Bin; García, Julián; Hauert, Christoph; Traulsen, Arne
2013-01-01
In evolutionary games, reproductive success is determined by payoffs. Weak selection means that even large differences in game outcomes translate into small fitness differences. Many results have been derived using weak selection approximations, in which perturbation analysis facilitates the derivation of analytical results. Here, we ask whether results derived under weak selection are also qualitatively valid for intermediate and strong selection. By “qualitatively valid” we mean that the ranking of strategies induced by an evolutionary process does not change when the intensity of selection increases. For two-strategy games, we show that the ranking obtained under weak selection cannot be carried over to higher selection intensity if the number of players exceeds two. For games with three (or more) strategies, previous examples for multiplayer games have shown that the ranking of strategies can change with the intensity of selection. In particular, rank changes imply that the most abundant strategy at one intensity of selection can become the least abundant for another. We show that this applies already to pairwise interactions for a broad class of evolutionary processes. Even when both weak and strong selection limits lead to consistent predictions, rank changes can occur for intermediate intensities of selection. To analyze how common such games are, we show numerically that for randomly drawn two-player games with three or more strategies, rank changes frequently occur and their likelihood increases rapidly with the number of strategies . In particular, rank changes are almost certain for , which jeopardizes the predictive power of results derived for weak selection. PMID:24339769
NNLOPS accurate associated HW production
NASA Astrophysics Data System (ADS)
Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia
2016-06-01
We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.
Weak interference in the high-signal regime.
Torres, Juan P; Puentes, Graciana; Hermosa, Nathaniel; Salazar-Serrano, Luis Jose
2012-08-13
Weak amplification is a signal enhancement technique which is used to measure tiny changes that otherwise cannot be determined because of technical limitations. It is based on: a) the existence of a weak interaction which couples a property of a system (the system) with a separate degree of freedom (the pointer), and b) the measurement of an anomalously large mean value of the pointer state (weak mean value), after appropriate pre-and post-selection of the state of the system. Unfortunately, the weak amplification process is generally accompanied by severe losses of the detected signal, which limits its applicability. However, we will show here that since weak amplification is essentially the result of an interference phenomena, it should be possible to use the degree of interference (weak interference) to get relevant information about the physical system under study in a more general scenario, where the signal is not severely depleted (high-signal regime). PMID:23038526
How to accurately bypass damage
Broyde, Suse; Patel, Dinshaw J.
2016-01-01
Ultraviolet radiation can cause cancer through DNA damage — specifically, by linking adjacent thymine bases. Crystal structures show how the enzyme DNA polymerase η accurately bypasses such lesions, offering protection. PMID:20577203
Accurate Evaluation of Quantum Integrals
NASA Technical Reports Server (NTRS)
Galant, David C.; Goorvitch, D.
1994-01-01
Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schr\\"{o}dinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.
Accurate shear measurement with faint sources
Zhang, Jun; Foucaud, Sebastien; Luo, Wentao E-mail: walt@shao.ac.cn
2015-01-01
For cosmic shear to become an accurate cosmological probe, systematic errors in the shear measurement method must be unambiguously identified and corrected for. Previous work of this series has demonstrated that cosmic shears can be measured accurately in Fourier space in the presence of background noise and finite pixel size, without assumptions on the morphologies of galaxy and PSF. The remaining major source of error is source Poisson noise, due to the finiteness of source photon number. This problem is particularly important for faint galaxies in space-based weak lensing measurements, and for ground-based images of short exposure times. In this work, we propose a simple and rigorous way of removing the shear bias from the source Poisson noise. Our noise treatment can be generalized for images made of multiple exposures through MultiDrizzle. This is demonstrated with the SDSS and COSMOS/ACS data. With a large ensemble of mock galaxy images of unrestricted morphologies, we show that our shear measurement method can achieve sub-percent level accuracy even for images of signal-to-noise ratio less than 5 in general, making it the most promising technique for cosmic shear measurement in the ongoing and upcoming large scale galaxy surveys.
Experimental investigations of weak definite and weak indefinite noun phrases
Klein, Natalie M.; Gegg-Harrison, Whitney M.; Carlson, Greg N.; Tanenhaus, Michael K.
2013-01-01
Definite noun phrases typically refer to entities that are uniquely identifiable in the speaker and addressee’s common ground. Some definite noun phrases (e.g. the hospital in Mary had to go the hospital and John did too) seem to violate this uniqueness constraint. We report six experiments that were motivated by the hypothesis that these “weak definite” interpretations arise in “incorporated” constructions. Experiments 1-3 compared nouns that seem to allow for a weak definite interpretation (e.g. hospital, bank, bus, radio) with those that do not (e.g. farm, concert, car, book). Experiments 1 and 2 used an instruction-following task and picture-judgment task, respectively, to demonstrate that a weak definite need not uniquely refer. In Experiment 3 participants imagined scenarios described by sentences such as The Federal Express driver had to go to the hospital/farm. The imagined scenarios following weak definite noun phrases were more likely to include conventional activities associated with the object, whereas following regular nouns, participants were more likely to imagine scenarios that included typical activities associated with the subject; similar effects were observed with weak indefinites. Experiment 4 found that object-related activities were reduced when the same subject and object were used with a verb that does not license weak definite interpretations. In Experiment 5, a science fiction story introduced an artificial lexicon for novel concepts. Novel nouns that shared conceptual properties with English weak definite nouns were more likely to allow weak reference in a judgment task. Experiment 6 demonstrated that familiarity for definite articles and anti- familiarity for indefinite articles applies to the activity associated with the noun, consistent with predictions made by the incorporation analysis. PMID:23685208
Resisting Weakness of the Will
Levy, Neil
2012-01-01
I develop an account of weakness of the will that is driven by experimental evidence from cognitive and social psychology. I will argue that this account demonstrates that there is no such thing as weakness of the will: no psychological kind corresponds to it. Instead, weakness of the will ought to be understood as depletion of System II resources. Neither the explanatory purposes of psychology nor our practical purposes as agents are well-served by retaining the concept. I therefore suggest that we ought to jettison it, in favour of the vocabulary and concepts of cognitive psychology. PMID:22984298
Reichenbach, H.; Kuhl, A.L.
1993-09-07
The purpose of this paper is to compare reflection factors for weak shocks from various surfaces, and to focus attention on some unsolved questions. Three different cases are considered: square-wave planar shock reflection from wedges; square-wave planar shock reflection from cylinders; and spherical blast wave reflection from a planar surface. We restrict ourselves to weak shocks. Shocks with a Mach number of M{sub O} < 1.56 in air or with an overpressure of {Delta}{sub PI} < 25 psi (1.66 bar) under normal ambient conditions are called weak.
Testing Einstein's weak equivalence principle with gravitational waves
NASA Astrophysics Data System (ADS)
Wu, Xue-Feng; Gao, He; Wei, Jun-Jie; Mészáros, Peter; Zhang, Bing; Dai, Zi-Gao; Zhang, Shuang-Nan; Zhu, Zong-Hong
2016-07-01
A conservative constraint on Einstein's weak equivalence principle (WEP) can be obtained under the assumption that the observed time delay between correlated particles from astronomical sources is dominated by the gravitational fields through which they move. Current limits on the WEP are mainly based on the observed time delays of photons with different energies. It is highly desirable to develop more accurate tests that include the gravitational wave (GW) sector. The detection by the advanced LIGO/VIRGO systems of gravitational waves will provide attractive candidates for constraining the WEP, extending the tests to gravitational interactions with potentially higher accuracy. Considering the capabilities of the advanced LIGO/VIRGO network and the source direction uncertainty, we show that the joint detection of GWs and electromagnetic signals could probe the WEP to an accuracy down to 10-10 , which is one order of magnitude tighter than previous limits, and 7 orders of magnitude tighter than the multimessenger (photons and neutrinos) results by supernova 1987A.
Weak ferromagnetism in the cuprates
NASA Astrophysics Data System (ADS)
Chovan, J.; Papanicolaou, N.
2001-02-01
An effective field theory that describes the low-frequency spin dynamics in the low-temperature orthorhombic phase of La 2CuO 4 is derived. The main features of the inherent covert weak ferromagnetism are thus accounted for in a straightforward manner but some of the finer theoretical predictions would require further experimental investigation. In particular, theory predicts the occurrence of magnetic stripes in undoped La 2CuO 4 which mediate the observed weak-ferromagnetic transition.
Hydrogen atoms can be located accurately and precisely by x-ray crystallography.
Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan
2016-05-01
Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545
Hydrogen atoms can be located accurately and precisely by x-ray crystallography
Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan
2016-01-01
Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545
Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti
2016-01-01
The black phosphorus (black-P) crystal is formed of covalently bound layers of phosphorene stacked together by weak van der Waals interactions. An experimental measurement of the exfoliation energy of black-P is not available presently, making theoretical studies the most important source of information for the optimization of phosphorene production. Here, we provide an accurate estimate of the exfoliation energy of black-P on the basis of multilevel quantum chemical calculations, which include the periodic local Møller-Plesset perturbation theory of second order, augmented by higher-order corrections, which are evaluated with finite clusters mimicking the crystal. Very similar results are also obtained by density functional theory with the D3-version of Grimme's empirical dispersion correction. Our estimate of the exfoliation energy for black-P of -151 meV/atom is substantially larger than that of graphite, suggesting the need for different strategies to generate isolated layers for these two systems. PMID:26651397
Are Kohn-Sham conductances accurate?
Mera, H; Niquet, Y M
2010-11-19
We use Fermi-liquid relations to address the accuracy of conductances calculated from the single-particle states of exact Kohn-Sham (KS) density functional theory. We demonstrate a systematic failure of this procedure for the calculation of the conductance, and show how it originates from the lack of renormalization in the KS spectral function. In certain limits this failure can lead to a large overestimation of the true conductance. We also show, however, that the KS conductances can be accurate for single-channel molecular junctions and systems where direct Coulomb interactions are strongly dominant. PMID:21231333
Weak-localization effect in superconductors from radiation damage
NASA Astrophysics Data System (ADS)
Park, Mi-Ae; Kim, Yong-Jihn
2000-06-01
Large reductions of the superconducting transition temperature Tc and the accompanying loss of the thermal electrical resistivity (electron-phonon interaction) due to radiation damage have been observed for several A15 compounds, Chevrel phase and ternary superconductors, and NbSe2 in the high-fluence regime. We examine these behaviors based on a recent theory of the weak localization effect in superconductors. We find a good fitting to the experimental data. In particular, the weak localization correction to the phonon-mediated interaction is derived from the density correlation function. It is shown that weak localization has a strong influence on both the phonon-mediated interaction and the electron-phonon interaction, which leads to the universal correlation of Tc and the resistance ratio.
... spine) Stroke MUSCLE DISEASES Becker muscular dystrophy Dermatomyositis Muscular dystrophy (Duchenne) Myotonic dystrophy POISONING Botulism Poisoning ( insecticides , nerve gas) Shellfish poisoning OTHER Anemia Myasthenia gravis Polio
Quantum discord with weak measurements
Singh, Uttam Pati, Arun Kumar
2014-04-15
Weak measurements cause small change to quantum states, thereby opening up the possibility of new ways of manipulating and controlling quantum systems. We ask, can weak measurements reveal more quantum correlation in a composite quantum state? We prove that the weak measurement induced quantum discord, called as the “super quantum discord”, is always larger than the quantum discord captured by the strong measurement. Moreover, we prove the monotonicity of the super quantum discord as a function of the measurement strength and in the limit of strong projective measurement the super quantum discord becomes the normal quantum discord. We find that unlike the normal discord, for pure entangled states, the super quantum discord can exceed the quantum entanglement. Our results provide new insights on the nature of quantum correlation and suggest that the notion of quantum correlation is not only observer dependent but also depends on how weakly one perturbs the composite system. We illustrate the key results for pure as well as mixed entangled states. -- Highlights: •Introduced the role of weak measurements in quantifying quantum correlation. •We have introduced the notion of the super quantum discord (SQD). •For pure entangled state, we show that the SQD exceeds the entanglement entropy. •This shows that quantum correlation depends not only on observer but also on measurement strength.
Weak measurements beyond the Aharonov-Albert-Vaidman formalism
Wu Shengjun; Li Yang
2011-05-15
We extend the idea of weak measurements to the general case, provide a complete treatment, and obtain results for both the regime when the preselected and postselected states (PPS) are almost orthogonal and the regime when they are exactly orthogonal. We surprisingly find that for a fixed interaction strength, there may exist a maximum signal amplification and a corresponding optimum overlap of PPS to achieve it. For weak measurements in the orthogonal regime, we find interesting quantities that play the same role that weak values play in the nonorthogonal regime.
Golibrzuch, Kai; Shirhatti, Pranav R.; Kandratsenka, Alexander; Wodtke, Alec M.; Bartels, Christof; Max Planck Institute for Biophysical Chemistry, Göttingen 37077 ; Rahinov, Igor; Auerbach, Daniel J.; Max Planck Institute for Biophysical Chemistry, Göttingen 37077; Department of Chemistry and Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106
2014-01-28
We present a combined experimental and theoretical study of NO(v = 3 → 3, 2, 1) scattering from a Au(111) surface at incidence translational energies ranging from 0.1 to 1.2 eV. Experimentally, molecular beam–surface scattering is combined with vibrational overtone pumping and quantum-state selective detection of the recoiling molecules. Theoretically, we employ a recently developed first-principles approach, which employs an Independent Electron Surface Hopping (IESH) algorithm to model the nonadiabatic dynamics on a Newns-Anderson Hamiltonian derived from density functional theory. This approach has been successful when compared to previously reported NO/Au scattering data. The experiments presented here show that vibrational relaxation probabilities increase with incidence energy of translation. The theoretical simulations incorrectly predict high relaxation probabilities at low incidence translational energy. We show that this behavior originates from trajectories exhibiting multiple bounces at the surface, associated with deeper penetration and favored (N-down) molecular orientation, resulting in a higher average number of electronic hops and thus stronger vibrational relaxation. The experimentally observed narrow angular distributions suggest that mainly single-bounce collisions are important. Restricting the simulations by selecting only single-bounce trajectories improves agreement with experiment. The multiple bounce artifacts discovered in this work are also present in simulations employing electronic friction and even for electronically adiabatic simulations, meaning they are not a direct result of the IESH algorithm. This work demonstrates how even subtle errors in the adiabatic interaction potential, especially those that influence the interaction time of the molecule with the surface, can lead to an incorrect description of electronically nonadiabatic vibrational energy transfer in molecule-surface collisions.
Warping the Weak Gravity Conjecture
NASA Astrophysics Data System (ADS)
Kooner, Karta; Parameswaran, Susha; Zavala, Ivonne
2016-08-01
The Weak Gravity Conjecture, if valid, rules out simple models of Natural Inflation by restricting their axion decay constant to be sub-Planckian. We revisit stringy attempts to realise Natural Inflation, with a single open string axionic inflaton from a probe D-brane in a warped throat. We show that warped geometries can allow the requisite super-Planckian axion decay constant to be achieved, within the supergravity approximation and consistently with the Weak Gravity Conjecture. Preliminary estimates of the brane backreaction suggest that the probe approximation may be under control. However, there is a tension between large axion decay constant and high string scale, where the requisite high string scale is difficult to achieve in all attempts to realise large field inflation using perturbative string theory. We comment on the Generalized Weak Gravity Conjecture in the light of our results.
Strong mobility in weakly disordered systems
Ben-naim, Eli; Krapivsky, Pavel
2009-01-01
We study transport of interacting particles in weakly disordered media. Our one-dimensional system includes (i) disorder, the hopping rate governing the movement of a particle between two neighboring lattice sites is inhomogeneous, and (ii) hard core interaction, the maximum occupancy at each site is one particle. We find that over a substantial regime, the root-mean-square displacement of a particle s grows superdiffusively with time t, {sigma}{approx}({epsilon}t){sup 2/3}, where {epsilon} is the disorder strength. Without disorder the particle displacement is subdiffusive, {sigma} {approx}t{sup 1/4}, and therefore disorder strongly enhances particle mobility. We explain this effect using scaling arguments, and verify the theoretical predictions through numerical simulations. Also, the simulations show that regardless of disorder strength, disorder leads to stronger mobility over an intermediate time regime.
Graczyk, Krzysztof M.
2011-11-23
A short review of the Rein-Sehgal and isobar models is presented. The attention is focused on the nucleon-{Delta}(1232) weak transition form-factors. The results of the recent re-analyses of the ANL and BNL bubble chamber neutrino-deuteron scattering data are discussed.
Focal weakness following herpes zoster.
Cockerell, O C; Ormerod, I E
1993-01-01
Three patients presented with focal weakness of an arm which followed segmental herpes zoster affecting the same limb. Neurophysiological investigations suggest that the site of the lesion lay at the root, plexus, or peripheral nerve level. This reflects the various ways in which the virus may affect the peripheral nervous system. PMID:8410022
Cosmology with weak lensing surveys.
Munshi, Dipak; Valageas, Patrick
2005-12-15
Weak gravitational lensing is responsible for the shearing and magnification of the images of high-redshift sources due to the presence of intervening mass. Since the lensing effects arise from deflections of the light rays due to fluctuations of the gravitational potential, they can be directly related to the underlying density field of the large-scale structures. Weak gravitational surveys are complementary to both galaxy surveys and cosmic microwave background observations as they probe unbiased nonlinear matter power spectra at medium redshift. Ongoing CMBR experiments such as WMAP and a future Planck satellite mission will measure the standard cosmological parameters with unprecedented accuracy. The focus of attention will then shift to understanding the nature of dark matter and vacuum energy: several recent studies suggest that lensing is the best method for constraining the dark energy equation of state. During the next 5 year period, ongoing and future weak lensing surveys such as the Joint Dark Energy Mission (JDEM; e.g. SNAP) or the Large-aperture Synoptic Survey Telescope will play a major role in advancing our understanding of the universe in this direction. In this review article, we describe various aspects of probing the matter power spectrum and the bi-spectrum and other related statistics with weak lensing surveys. This can be used to probe the background dynamics of the universe as well as the nature of dark matter and dark energy. PMID:16286284
Aikawa, Yuki; Agata, Umon; Kakutani, Yuya; Kato, Shoyo; Noma, Yuichi; Hattori, Satoshi; Ogata, Hitomi; Ezawa, Ikuko; Omi, Naomi
2016-01-01
Increasing calcium (Ca) intake is important for female athletes with a risk of weak bone caused by inadequate food intake. The aim of the present study was to examine the preventive effect of Ca supplementation on low bone strength in young female athletes with inadequate food intake, using the rats as an experimental model. Seven-week-old female Sprague-Dawley rats were divided into four groups: the sedentary and ad libitum feeding group (SED), voluntary running exercise and ad libitum feeding group (EX), voluntary running exercise and 30% food restriction group (EX-FR), and a voluntary running exercise, 30% food-restricted and high-Ca diet group (EX-FR+Ca). To Ca supplementation, we used 1.2% Ca diet as "high-Ca diet" that contains two-fold Ca of normal Ca diet. The experiment lasted for 12 weeks. As a result, the energy availability, internal organ weight, bone strength, bone mineral density, and Ca absorption in the EX-FR group were significantly lower than those in the EX group. The bone strength and Ca absorption in the EX-FR+Ca group were significantly higher than those in the EX-FR group. However, the bone strength in the EX-FR+Ca group did not reach that in the EX group. These results suggested that Ca supplementation had a positive effect on bone strength, but the effect was not sufficient to prevent lower bone strength caused by food restriction in young female athletes. PMID:26511476
Almost-total absorption of light in thin, biperiodic, weakly-absorbing semiconductor gratings.
Popov, Evgeny; Fehrembach, Anne-Laure; McPhedran, Ross C
2016-07-25
We consider the design of optical systems capable of providing near 100% absorption of visible light, consisting of a structured thin layer of a weakly absorbing semiconductor placed on top of a dielectric spacer layer and a metallic mirror layer. We generalise a system recently studied semi-analytically and experimentally by Stürmberg et al [Optica 3, 556 2016] which incorporated a grating layer of antimony sulphide and delivered high, narrow-band absorptance of normally-incident light for a single polarisation. We demonstrate that bi-periodic gratings can be optimised to deliver near-perfect absorptance of unpolarised light in the system, and comment on the wavelength and angular ranges over which the absorptance remains near 100%. We show that the properties of the systems studied depend on the interaction of multiple modes, and cannot be accurately modelled within the quasistatic approximation. PMID:27464093
Resurgence and holomorphy: From weak to strong coupling
Cherman, Aleksey; Koroteev, Peter; Ünsal, Mithat
2015-05-15
We analyze the resurgence properties of finite-dimensional exponential integrals which are prototypes for partition functions in quantum field theories. In these simple examples, we demonstrate that perturbation theory, even at arbitrarily weak coupling, fails as the argument of the coupling constant is varied. It is well-known that perturbation theory also fails at stronger coupling. We show that these two failures are actually intimately related. The formalism of resurgent transseries, which takes into account global analytic continuation properties, fixes both problems and provides an arbitrarily accurate description of exact result for any value of coupling. This means that strong coupling results can be deduced by using merely weak coupling data. Finally, we give another perspective on resurgence theory by showing that the monodromy properties of the weak coupling results are in precise agreement with the monodromy properties of the strong-coupling expansions, obtained using analysis of the holomorphy structure of Picard-Fuchs equations.
Weak values and weak coupling maximizing the output of weak measurements
Di Lorenzo, Antonio
2014-06-15
In a weak measurement, the average output 〈o〉 of a probe that measures an observable A{sup -hat} of a quantum system undergoing both a preparation in a state ρ{sub i} and a postselection in a state E{sub f} is, to a good approximation, a function of the weak value A{sub w}=Tr[E{sub f}A{sup -hat} ρ{sub i}]/Tr[E{sub f}ρ{sub i}], a complex number. For a fixed coupling λ, when the overlap Tr[E{sub f}ρ{sub i}] is very small, A{sub w} diverges, but 〈o〉 stays finite, often tending to zero for symmetry reasons. This paper answers the questions: what is the weak value that maximizes the output for a fixed coupling? What is the coupling that maximizes the output for a fixed weak value? We derive equations for the optimal values of A{sub w} and λ, and provide the solutions. The results are independent of the dimensionality of the system, and they apply to a probe having a Hilbert space of arbitrary dimension. Using the Schrödinger–Robertson uncertainty relation, we demonstrate that, in an important case, the amplification 〈o〉 cannot exceed the initial uncertainty σ{sub o} in the observable o{sup -hat}, we provide an upper limit for the more general case, and a strategy to obtain 〈o〉≫σ{sub o}. - Highlights: •We have provided a general framework to find the extremal values of a weak measurement. •We have derived the location of the extremal values in terms of preparation and postselection. •We have devised a maximization strategy going beyond the limit of the Schrödinger–Robertson relation.
Predict amine solution properties accurately
Cheng, S.; Meisen, A.; Chakma, A.
1996-02-01
Improved process design begins with using accurate physical property data. Especially in the preliminary design stage, physical property data such as density viscosity, thermal conductivity and specific heat can affect the overall performance of absorbers, heat exchangers, reboilers and pump. These properties can also influence temperature profiles in heat transfer equipment and thus control or affect the rate of amine breakdown. Aqueous-amine solution physical property data are available in graphical form. However, it is not convenient to use with computer-based calculations. Developed equations allow improved correlations of derived physical property estimates with published data. Expressions are given which can be used to estimate physical properties of methyldiethanolamine (MDEA), monoethanolamine (MEA) and diglycolamine (DGA) solutions.
Weak measurements with orbital-angular-momentum pointer states.
Puentes, G; Hermosa, N; Torres, J P
2012-07-27
Weak measurements are a unique tool for accessing information about weakly interacting quantum systems with minimal back action. Joint weak measurements of single-particle operators with pointer states characterized by a two-dimensional Gaussian distribution can provide, in turn, key information about quantum correlations that can be relevant for quantum information applications. Here we demonstrate that by employing two-dimensional pointer states endowed with orbital angular momentum (OAM), it is possible to extract weak values of the higher order moments of single-particle operators, an inaccessible quantity with Gaussian pointer states only. We provide a specific example that illustrates the advantages of our method both in terms of signal enhancement and information retrieval. PMID:23006067
Weak localization in few-layer black phosphorus
NASA Astrophysics Data System (ADS)
Du, Yuchen; Neal, Adam T.; Zhou, Hong; Ye, Peide D.
2016-06-01
We have conducted a comprehensive investigation into the magneto-transport properties of few-layer black phosphorus in terms of phase coherence length, phase coherence time, and mobility via weak localization measurement and Hall-effect measurement. We present magnetoresistance data showing the weak localization effect in bare p-type few-layer black phosphorus and reveal its strong dependence on temperature and carrier concentration. The measured weak localization agrees well with the Hikami-Larkin-Nagaoka model and the extracted phase coherence length of 104 nm at 350 mK, decreasing as ˜T-0.513+-0.053 with increased temperature. Weak localization measurement allows us to qualitatively probe the temperature-dependent phase coherence time τ ϕ , which is in agreement with the theory of carrier interaction in the diffusive regime. We also observe the universal conductance fluctuation phenomenon in few-layer black phosphorus within moderate magnetic field and low temperature regime.
Tomography and weak lensing statistics
Munshi, Dipak; Coles, Peter; Kilbinger, Martin E-mail: peter.coles@astro.cf.ac.uk
2014-04-01
We provide generic predictions for the lower order cumulants of weak lensing maps, and their correlators for tomographic bins as well as in three dimensions (3D). Using small-angle approximation, we derive the corresponding one- and two-point probability distribution function for the tomographic maps from different bins and for 3D convergence maps. The modelling of weak lensing statistics is obtained by adopting a detailed prescription for the underlying density contrast that involves hierarchal ansatz and lognormal distribution. We study the dependence of our results on cosmological parameters and source distributions corresponding to the realistic surveys such as LSST and DES. We briefly outline how photometric redshift information can be incorporated in our results. We also show how topological properties of convergence maps can be quantified using our results.
Practical aspects of spatially high accurate methods
NASA Technical Reports Server (NTRS)
Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.
1992-01-01
The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.
Paredes-García, Verónica; Santana, Ricardo C; Madrid, Rosa; Baldo, Bianca; Vega, Andrés; Spodine, Evgenia
2012-09-01
EPR measurements have been performed on single crystals of [Cu(L-tyrosine)(2)](∞) at 33.8 GHz and at room temperature. The EPR spectra display partially resolved EPR lines for most orientations of the magnetic field in the ab plane, and only one resonance for orientations close to the crystal axes, while only a single line is observed along any direction in the ca and cb crystal planes. This behavior is a result of the selective collapse of the resonances corresponding to the four copper sites in the unit cell produced by the exchange interactions between the copper ions. The magnitudes of the exchange interactions between the copper ions were evaluated from the angular variation of the line width and the collapse of the EPR lines. The value |J(AD)/k(B)|=0.8 K between neighboring copper atoms at 4.942 Å is assigned to a syn-anti equatorial-apical carboxylate bridge with a total bond length of 6.822 Å, while the small value |J(AB)/k(B)|=0.004 K is assigned to a long bridge of 11 atoms with a total bond length of 19.186 Å, that includes one resonance assisted hydrogen bond (RAHB). This finding is discussed in terms of values obtained for similar paths in other model compounds and in proteins. PMID:22717721
Extension of the weak-line approximation and application to correlated-k methods
Conley, A.J.; Collins, W.D.
2011-03-15
Global climate models require accurate and rapid computation of the radiative transfer through the atmosphere. Correlated-k methods are often used. One of the approximations used in correlated-k models is the weakline approximation. We introduce an approximation T/sub g/ which reduces to the weak-line limit when optical depths are small, and captures the deviation from the weak-line limit as the extinction deviates from the weak-line limit. This approximation is constructed to match the first two moments of the gamma distribution to the k-distribution of the transmission. We compare the errors of the weak-line approximation with T/sub g/ in the context of a water vapor spectrum. The extension T/sub g/ is more accurate and converges more rapidly than the weak-line approximation.
NASA Astrophysics Data System (ADS)
Karakozov, A. E.; Zapf, S.; Gorshunov, B.; Ponomarev, Ya. G.; Magnitskaya, M. V.; Zhukova, E.; Prokhorov, A. S.; Anzin, V. B.; Haindl, S.
2014-07-01
The knowledge about the gap size and structure is of utmost importance for a theory of the superconducting pairing mechanism. The number of superconducting gaps is an important part of the description and modeling of multiband systems such as the iron-based superconductors. Here, we present a study on the temperature dependence of the superfluid density, ρs(T), in Ba(Fe0.9Co0.1)2As2 obtained from terahertz spectra of conductivity and dielectric permittivity of thin film samples with critical temperatures Tc≈20-22 K. We demonstrate that the temperature dependence of the superfluid density, ρs(T ), can be explained best by a model of three interacting superconducting condensates. Our results refine the standard two-band approach for Co-doped BaFe2As2.
Phase Diagram of the Bose Hubbard Model with Weak Links
NASA Astrophysics Data System (ADS)
Hettiarachchilage, Kalani; Rousseau, Valy; Tam, Ka-Ming; Moreno, Juana; Jarrell, Mark; Sheehy, Daniel
2012-02-01
We study the ground state phase diagram of strongly interacting ultracold Bose gas in a one-dimensional optical lattice with a tunable weak link, by means of Quantum Monte Carlo simulation. This model contains an on-site repulsive interaction (U) and two different near-neighbor hopping terms, J and t, for the weak link and the remainder of the chain, respectively. We show that by reducing the strength of J, a novel intermediate phase develops which is compressible and non-superfluid. This novel phase is identified as a Normal Bose Liquid (NBL) which does not appear in the phase diagram of the homogeneous bosonic Hubbard model. Further, we find a linear variation of the phase boundary of Normal Bose Liquid (NBL) to SuperFluid (SF) as a function of the strength of the weak link. These results may provide a new path to design advanced atomtronic devices in the future.
Quantum weak turbulence with applications to semiconductor lasers
NASA Astrophysics Data System (ADS)
Lvov, Y. V.; Binder, R.; Newell, A. C.
1998-10-01
Based on a model Hamiltonian appropriate for the description of fermionic systems such as semiconductor lasers, we describe a natural asymptotic closure of the BBGKY hierarchy in complete analogy with that derived for classical weak turbulence. The main features of the interaction Hamiltonian are the inclusion of full Fermi statistics containing Pauli blocking and a simple, phenomenological, uniformly weak two-particle interaction potential equivalent to the static screening approximation. We find a new class of solutions to the quantum kinetic equation which are analogous to the Kolmogorov spectra of hydrodynamics and classical weak turbulence. They involve finite fluxes of particles and energy in momentum space and are particularly relevant for describing the behavior of systems containing sources and sinks. We make a prima facie case that these finite flux solutions can be important in the context of semiconductor lasers and show how they might be used to enhance laser performance.
Lognormal Property of Weak-Lensing Fields
NASA Astrophysics Data System (ADS)
Taruya, Atsushi; Takada, Masahiro; Hamana, Takashi; Kayo, Issha; Futamase, Toshifumi
2002-06-01
The statistical properties of weak-lensing fields are studied quantitatively using ray-tracing simulations. Motivated by an empirical lognormal model that excellently characterizes the probability distribution function of a three-dimensional mass distribution, we critically investigate the validity of the lognormal model in weak-lensing statistics. Assuming that the convergence field κ is approximately described by the lognormal distribution, we present analytic formulae of convergence for the one-point probability distribution function (PDF) and the Minkowski functionals. The validity of the lognormal models is checked in detail by comparing those predictions with ray-tracing simulations in various cold dark matter models. We find that the one-point lognormal PDF can accurately describe the non-Gaussian tails of convergence fields up to ν~10, where ν is the level threshold given by ν≡κ/<κ2>1/2, although the systematic deviation from the lognormal prediction becomes manifest at higher source redshift and larger smoothing scales. The lognormal formulae for Minkowski functionals also fit the simulation results when the source redshift is low, zs=1. Accuracy of the lognormal fit remains good even at small angular scales 2'<~θ<~4', where the perturbation formulae by the Edgeworth expansion break down. On the other hand, the lognormal model enables us to predict higher order moments, i.e., skewness S3,κ and kurtosis S4,κ, and we thus discuss the consistency by comparing the predictions with the simulation results. Since these statistics are very sensitive to the high- and low-convergence tails, the lognormal prediction does not provide a successful quantitative fit. We therefore conclude that the empirical lognormal model of the convergence field is safely applicable as a useful cosmological tool, as long as we are concerned with the non-Gaussianity of ν<~5 for low-zs samples.
Atmospheric Dispersion Effects in Weak Lensing Measurements
Plazas, Andrés Alejandro; Bernstein, Gary
2012-10-01
The wavelength dependence of atmospheric refraction causes elongation of finite-bandwidth images along the elevation vector, which produces spurious signals in weak gravitational lensing shear measurements unless this atmospheric dispersion is calibrated and removed to high precision. Because astrometric solutions and PSF characteristics are typically calibrated from stellar images, differences between the reference stars' spectra and the galaxies' spectra will leave residual errors in both the astrometric positions (dr) and in the second moment (width) of the wavelength-averaged PSF (dv) for galaxies.We estimate the level of dv that will induce spurious weak lensing signals in PSF-corrected galaxy shapes that exceed themore » statistical errors of the DES and the LSST cosmic-shear experiments. We also estimate the dr signals that will produce unacceptable spurious distortions after stacking of exposures taken at different airmasses and hour angles. We also calculate the errors in the griz bands, and find that dispersion systematics, uncorrected, are up to 6 and 2 times larger in g and r bands,respectively, than the requirements for the DES error budget, but can be safely ignored in i and z bands. For the LSST requirements, the factors are about 30, 10, and 3 in g, r, and i bands,respectively. We find that a simple correction linear in galaxy color is accurate enough to reduce dispersion shear systematics to insignificant levels in the r band for DES and i band for LSST,but still as much as 5 times than the requirements for LSST r-band observations. More complex corrections will likely be able to reduce the systematic cosmic-shear errors below statistical errors for LSST r band. But g-band effects remain large enough that it seems likely that induced systematics will dominate the statistical errors of both surveys, and cosmic-shear measurements should rely on the redder bands.« less
Atmospheric Dispersion Effects in Weak Lensing Measurements
Plazas, Andrés Alejandro; Bernstein, Gary
2012-10-01
The wavelength dependence of atmospheric refraction causes elongation of finite-bandwidth images along the elevation vector, which produces spurious signals in weak gravitational lensing shear measurements unless this atmospheric dispersion is calibrated and removed to high precision. Because astrometric solutions and PSF characteristics are typically calibrated from stellar images, differences between the reference stars' spectra and the galaxies' spectra will leave residual errors in both the astrometric positions (dr) and in the second moment (width) of the wavelength-averaged PSF (dv) for galaxies.We estimate the level of dv that will induce spurious weak lensing signals in PSF-corrected galaxy shapes that exceed the statistical errors of the DES and the LSST cosmic-shear experiments. We also estimate the dr signals that will produce unacceptable spurious distortions after stacking of exposures taken at different airmasses and hour angles. We also calculate the errors in the griz bands, and find that dispersion systematics, uncorrected, are up to 6 and 2 times larger in g and r bands,respectively, than the requirements for the DES error budget, but can be safely ignored in i and z bands. For the LSST requirements, the factors are about 30, 10, and 3 in g, r, and i bands,respectively. We find that a simple correction linear in galaxy color is accurate enough to reduce dispersion shear systematics to insignificant levels in the r band for DES and i band for LSST,but still as much as 5 times than the requirements for LSST r-band observations. More complex corrections will likely be able to reduce the systematic cosmic-shear errors below statistical errors for LSST r band. But g-band effects remain large enough that it seems likely that induced systematics will dominate the statistical errors of both surveys, and cosmic-shear measurements should rely on the redder bands.
Weak decays of heavy hadrons into dynamically generated resonances
Oset, Eulogio; Liang, Wei -Hong; Bayar, Melahat; Xie, Ju -Jun; Dai, Lian Rong; Albaladejo, Miguel; Nielsen, Marina; Sekihara, Takayasu; Navarra, Fernando; Roca, Luis; et al
2016-01-28
In this study, we present a review of recent works on weak decay of heavy mesons and baryons with two mesons, or a meson and a baryon, interacting strongly in the final state. The aim is to learn about the interaction of hadrons and how some particular resonances are produced in the reactions. It is shown that these reactions have peculiar features and act as filters for some quantum numbers which allow to identify easily some resonances and learn about their nature. The combination of basic elements of the weak interaction with the framework of the chiral unitary approach allowmore » for an interpretation of results of many reactions and add a novel information to different aspects of the hadron interaction and the properties of dynamically generated resonances.« less
Conformational transitions of a weak polyampholyte
NASA Astrophysics Data System (ADS)
Narayanan Nair, Arun Kumar; Uyaver, Sahin; Sun, Shuyu
2014-10-01
Using grand canonical Monte Carlo simulations of a flexible polyelectrolyte where the charges are in contact with a reservoir of constant chemical potential given by the solution pH, we study the behavior of weak polyelectrolytes in poor and good solvent conditions for polymer backbone. We address the titration behavior and conformational properties of a flexible diblock polyampholyte chain formed of two oppositely charged weak polyelectrolyte blocks, each containing equal number of identical monomers. The change of solution pH induces charge asymmetry in a diblock polyampholyte. For diblock polyampholyte chains in poor solvents, we demonstrate that a discontinuous transition between extended (tadpole) and collapsed (globular) conformational states is attainable by varying the solution pH. The double-minima structure in the probability distribution of the free energy provides direct evidence for the first-order like nature of this transition. At the isoelectric point electrostatically driven coil-globule transition of diblock polyampholytes in good solvents is found to consist of different regimes identified with increasing electrostatic interaction strength. At pH values above or below the isoelectric point diblock chains are found to have polyelectrolyte-like behavior due to repulsion between uncompensated charges along the chain.
Competing weak localization and weak antilocalization in ultrathin topological insulators
NASA Astrophysics Data System (ADS)
Lang, Murong; He, Liang; Kou, Xufeng; Upadhyaya, Pramey; Fan, Yabin; Chu, Hao; Yeh, Nai-Chang; Wang, Kang
2013-03-01
We demonstrate the evidences of a surface gap opening in (Bi0.57Sb0.43)2 Te3 samples for film thickness below 6 quintuple layers, through magnetotransport and scanning tunneling spectroscopy measurements. By tuning Fermi level position relative to the gap, the striking crossover between weak antilocalization and weak localization is observed in nonmagnetic 4 and 5 QL films at low field region, a characteristic feature of quantum interferences competition, possibly owing to the change of net Berry phase. Furthermore, when the Fermi level is swept into the surface gap, the overall unitary behaviors are revealed at higher magnetic field, which are in contrast to the pure WAL signals obtained in thicker films. Besides, the surface bandgap of ultrathin film is also determined by low temperature STS measurements. Our findings show an exotic phenomenon characterizing the gapped TI surface states and point to the future realization of quantum spin Hall effect and dissipationless TI-based applications. This work was in part supported by Defense Advanced Research Projects Agency (DARPA), Focus Center Research Program-Center on Functional Engineered Nano Architectonics (FENA).
Teleportation of a Weak Coherent Cavity Field State
NASA Astrophysics Data System (ADS)
Cardoso, Wesley B.; Qiang, Wen-Chao; Avelar, Ardiley T.
2016-07-01
In this paper we propose a scheme to teleport a weak coherent cavity field state. The scheme relies on the resonant atom-field interaction inside a high-Q cavity. The mean photon-number of the cavity field is assumed much smaller than one, hence the field decay inside the cavity can be effectively suppressed.
Teleportation of a Weak Coherent Cavity Field State
NASA Astrophysics Data System (ADS)
Cardoso, Wesley B.; Qiang, Wen-Chao; Avelar, Ardiley T.
2016-02-01
In this paper we propose a scheme to teleport a weak coherent cavity field state. The scheme relies on the resonant atom-field interaction inside a high-Q cavity. The mean photon-number of the cavity field is assumed much smaller than one, hence the field decay inside the cavity can be effectively suppressed.
Weakly charged cationic nanoparticles induce DNA bending and strand separation.
Railsback, Justin G; Singh, Abhishek; Pearce, Ryan C; McKnight, Timothy E; Collazo, Ramón; Sitar, Zlatko; Yingling, Yaroslava G; Melechko, Anatoli V
2012-08-16
Weakly charged cationic nanoparticles cause structural changes including local denaturing and compaction to DNA under mild conditions. The charged ligands bind to the phosphate backbone of DNA and the uncharged ligands penetrate the helix and disrupt base pairing. Mobility shifts in electrophoresis, molecular dynamics, and UV-vis spectrophotometry give clues to the details of the interactions. PMID:22711427
Transport Coefficients in weakly compressible turbulence
NASA Technical Reports Server (NTRS)
Rubinstein, Robert; Erlebacher, Gordon
1996-01-01
A theory of transport coefficients in weakly compressible turbulence is derived by applying Yoshizawa's two-scale direct interaction approximation to the compressible equations of motion linearized about a state of incompressible turbulence. The result is a generalization of the eddy viscosity representation of incompressible turbulence. In addition to the usual incompressible eddy viscosity, the calculation generates eddy diffusivities for entropy and pressure, and an effective bulk viscosity acting on the mean flow. The compressible fluctuations also generate an effective turbulent mean pressure and corrections to the speed of sound. Finally, a prediction unique to Yoshizawa's two-scale approximation is that terms containing gradients of incompressible turbulence quantities also appear in the mean flow equations. The form these terms take is described.
Weak lensing by galaxy troughs
NASA Astrophysics Data System (ADS)
Gruen, Daniel
2016-06-01
Galaxy troughs, i.e. underdensities in the projected galaxy field, are a weak lensing probe of the low density Universe with high signal-to-noise ratio. I present measurements of the radial distortion of background galaxy images and the de-magnification of the CMB by troughs constructed from Dark Energy Survey and Sloan Digital Sky Survey galaxy catalogs. With high statistical significance and a relatively robust modeling, these probe gravity in regimes of density and scale difficult to access for conventional statistics.
Margaryan, A.; Hashimoto, O.; Kakoyan, V.; Knyazyan, S.; Tang, L.
2011-02-15
A new 'tagged-weak {pi} method' is proposed for determination of electromagnetic transition probabilities B(E2) and B(M1) of the hypernuclear states with lifetimes of {approx}10{sup -10} s. With this method, we are planning to measure B(E2) and B(M1) for light hypernuclei at JLab. The results of Monte Carlo simulations for the case of E2(5/2{sup +}, 3/2{sup +} {yields} 1/2{sup +}) transitions in {sub {Lambda}}{sup 7}He hypernuclei are presented.
Excited-state positronium formation in positron–hydrogen collisions under weakly coupled plasmas
NASA Astrophysics Data System (ADS)
Rej, Pramit; Ghoshal, Arijit
2016-06-01
The effect of screening of weakly coupled plasma on positronium (Ps) formation in excited states in the scattering of a positron from the ground state of a hydrogen atom has been investigated using a distorted wave theory which includes screened dipole polarization potential. The effect of external plasma has been incorporated by using the Debye–Hückel screening model of the interacting charge particles. Variationally determined simple hydrogenic wave functions have been used to obtain the distorted wave scattering amplitude in a closed form. Effects of plasma screening on the differential and total cross sections have been studied in detail in the energy range 20–300 eV of incident positron. For the free atomic case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for Ps formation in highly excited states in positron–hydrogen collisions under weakly coupled plasma is reported first time in the literature.
Rej, Pramit; Ghoshal, Arijit
2014-09-15
Formation of Rydberg atoms due to 1s→nlm excitations of hydrogen, for arbitrary n, l, m, by positron impact in weakly coupled plasma has been investigated using a distorted-wave theory in the momentum space. The interactions among the charged particles in the plasma have been represented by Debye-Huckel potentials. Making use of a simple variationally determined wave function for the hydrogen atom, it has been possible to obtain the distorted-wave scattering amplitude in a closed analytical form. A detailed study has been made on the effects of plasma screening on the differential and total cross sections in the energy range 20–300 eV of incident positron. For the unscreened case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for 1s→nlm inelastic positron-hydrogen collisions for arbitrary n, l, m in weakly coupled plasmas is the first reported in the literature.
Weak affinity chromatography as a new approach for fragment screening in drug discovery.
Duong-Thi, Minh-Dao; Meiby, Elinor; Bergström, Maria; Fex, Tomas; Isaksson, Roland; Ohlson, Sten
2011-07-01
Fragment-based drug design (FBDD) is currently being implemented in drug discovery, creating a demand for developing efficient techniques for fragment screening. Due to the intrinsic weak or transient binding of fragments (mM-μM in dissociation constant (K(D))) to targets, methods must be sensitive enough to accurately detect and quantify an interaction. This study presents weak affinity chromatography (WAC) as an alternative tool for screening of small fragments. The technology was demonstrated by screening of a selected 23-compound fragment collection of documented binders, mostly amidines, using trypsin and thrombin as model target protease proteins. WAC was proven to be a sensitive, robust, and reproducible technique that also provides information about affinity of a fragment in the range of 1 mM-10 μM. Furthermore, it has potential for high throughput as was evidenced by analyzing mixtures in the range of 10 substances by WAC-MS. The accessibility and flexibility of the technology were shown as fragment screening can be performed on standard HPLC equipment. The technology can further be miniaturized and adapted to the requirements of affinity ranges of the fragment library. All these features of WAC make it a potential method in drug discovery for fragment screening. PMID:21352794
Charge on a weak polyelectrolyte
NASA Astrophysics Data System (ADS)
Wang, Shengqin; Granick, Steve; Zhao, Jiang
2008-12-01
Fluorescence measurements with single-molecule sensitivity are used to measure the hydrodynamic size and local pH of a weak polyelectrolyte, poly-2-vinyl pyridine end labeled with pH-sensitive dye, the polyelectrolyte having concentration so low (nanomolars) that molecular properties are resolvable only from fluorescence experiments and cannot be accessed by light scattering. We find that the local pH near the dye, inferred from its brightness, is consistently three orders of magnitude higher than the bulk pH. Upon varying the bulk pH, we measure the collapse point at which hydrophobic attraction overwhelms electrostatic repulsion between charged elements along the chain, and conclude that adding monovalent salt shifts this coil-to-globule collapse to higher pH than in the absence of salt. The influence of salt appears to shift the ionization equilibrium of this weak polyelectrolyte in the direction of the chain possessing enhanced electric charge at a given pH. Phenomenologically, this is opposite to the case for strong polyelectrolytes, although the mechanism differs.
Airway clearance in neuromuscular weakness.
Gauld, Leanne Maree
2009-05-01
Impaired airway clearance leads to recurrent chest infections and respiratory deterioration in neuromuscular weakness. It is frequently the cause of death. Cough is the major mechanism of airway clearance. Cough has several components, and assessment tools are available to measure the different components of cough. These include measuring peak cough flow, respiratory muscle strength, and inspiratory capacity. Each is useful in assessing the ability to generate an effective cough, and can be used to guide when techniques of assisting airway clearance may be effective for the individual and which are most effective. Techniques to assist airway clearance include augmenting inspiration by air stacking, augmenting expiration by assisting the cough, and augmenting both inspiration and expiration with the mechanical insufflator-exsufflator or by direct suctioning via a tracheostomy. Physiotherapists are invaluable in assisting airway clearance, and in teaching patients and their families how to use these techniques. Use of the mechanical insufflator-exsufflator has gained popularity in recent times, but several simpler, more economical methods are available to assist airway clearance that can be used effectively alone or in combination. This review examines the literature available on the assessment and management of impaired airway clearance in neuromuscular weakness. PMID:19379290
Weak lensing and cosmological investigation
NASA Astrophysics Data System (ADS)
Acquaviva, Viviana
2005-03-01
In the last few years the scientific community has been dealing with the challenging issue of identifying the dark energy component. We regard weak gravitational lensing as a brand new, and extremely important, tool for cosmological investigation in this field. In fact, the features imprinted on the Cosmic Microwave Background radiation by the lensing from the intervening distribution of matter represent a pretty unbiased estimator, and can thus be used for putting constraints on different dark energy models. This is true in particular for the magnetic-type B-modes of CMB polarization, whose unlensed spectrum at large multipoles (l ~= 1000) is very small even in presence of an amount of gravitational waves as large as currently allowed by the experiments: therefore, on these scales the lensing phenomenon is the only responsible for the observed power, and this signal turns out to be a faithful tracer of the dark energy dynamics. We first recall the formal apparatus of the weak lensing in extended theories of gravity, introducing the physical observables suitable to cast the bridge between lensing and cosmology, and then evaluate the amplitude of the expected effect in the particular case of a Non-Minimally-Coupled model, featuring a quadratic coupling between quintessence and Ricci scalar.
NASA Astrophysics Data System (ADS)
Hall, Lawrence J.; Pinner, David; Ruderman, Joshua T.
2014-12-01
The measured values of the weak scale, v, and the first generation masses, m u, d, e , are simultaneously explained in the multiverse, with all these parameters scanning independently. At the same time, several remarkable coincidences are understood. Small variations in these parameters away from their measured values lead to the instability of hydrogen, the instability of heavy nuclei, and either a hydrogen or a helium dominated universe from Big Bang Nucleosynthesis. In the 4d parameter space of ( m u , m d , m e , v), catastrophic boundaries are reached by separately increasing each parameter above its measured value by a factor of (1.4, 1.3, 2.5, ˜ 5), respectively. The fine-tuning problem of the weak scale in the Standard Model is solved: as v is increased beyond the observed value, it is impossible to maintain a significant cosmological hydrogen abundance for any values of m u, d, e that yield both hydrogen and heavy nuclei stability.
Accurate Mass Measurements in Proteomics
Liu, Tao; Belov, Mikhail E.; Jaitly, Navdeep; Qian, Weijun; Smith, Richard D.
2007-08-01
To understand different aspects of life at the molecular level, one would think that ideally all components of specific processes should be individually isolated and studied in details. Reductionist approaches, i.e., studying one biological event at a one-gene or one-protein-at-a-time basis, indeed have made significant contributions to our understanding of many basic facts of biology. However, these individual “building blocks” can not be visualized as a comprehensive “model” of the life of cells, tissues, and organisms, without using more integrative approaches.1,2 For example, the emerging field of “systems biology” aims to quantify all of the components of a biological system to assess their interactions and to integrate diverse types of information obtainable from this system into models that could explain and predict behaviors.3-6 Recent breakthroughs in genomics, proteomics, and bioinformatics are making this daunting task a reality.7-14 Proteomics, the systematic study of the entire complement of proteins expressed by an organism, tissue, or cell under a specific set of conditions at a specific time (i.e., the proteome), has become an essential enabling component of systems biology. While the genome of an organism may be considered static over short timescales, the expression of that genome as the actual gene products (i.e., mRNAs and proteins) is a dynamic event that is constantly changing due to the influence of environmental and physiological conditions. Exclusive monitoring of the transcriptomes can be carried out using high-throughput cDNA microarray analysis,15-17 however the measured mRNA levels do not necessarily correlate strongly with the corresponding abundances of proteins,18-20 The actual amount of functional proteins can be altered significantly and become independent of mRNA levels as a result of post-translational modifications (PTMs),21 alternative splicing,22,23 and protein turnover.24,25 Moreover, the functions of expressed
Benchmarking accurate spectral phase retrieval of single attosecond pulses
NASA Astrophysics Data System (ADS)
Wei, Hui; Le, Anh-Thu; Morishita, Toru; Yu, Chao; Lin, C. D.
2015-02-01
A single extreme-ultraviolet (XUV) attosecond pulse or pulse train in the time domain is fully characterized if its spectral amplitude and phase are both determined. The spectral amplitude can be easily obtained from photoionization of simple atoms where accurate photoionization cross sections have been measured from, e.g., synchrotron radiations. To determine the spectral phase, at present the standard method is to carry out XUV photoionization in the presence of a dressing infrared (IR) laser. In this work, we examine the accuracy of current phase retrieval methods (PROOF and iPROOF) where the dressing IR is relatively weak such that photoelectron spectra can be accurately calculated by second-order perturbation theory. We suggest a modified method named swPROOF (scattering wave phase retrieval by omega oscillation filtering) which utilizes accurate one-photon and two-photon dipole transition matrix elements and removes the approximations made in PROOF and iPROOF. We show that the swPROOF method can in general retrieve accurate spectral phase compared to other simpler models that have been suggested. We benchmark the accuracy of these phase retrieval methods through simulating the spectrogram by solving the time-dependent Schrödinger equation numerically using several known single attosecond pulses with a fixed spectral amplitude but different spectral phases.
The Computational Complexity of Weak Saddles
NASA Astrophysics Data System (ADS)
Brandt, Felix; Brill, Markus; Fischer, Felix; Hoffmann, Jan
We continue the recently initiated study of the computational aspects of weak saddles, an ordinal set-valued solution concept proposed by Shapley. Brandt et al. gave a polynomial-time algorithm for computing weak saddles in a subclass of matrix games, and showed that certain problems associated with weak saddles of bimatrix games are NP-complete. The important question of whether weak saddles can be found efficiently was left open. We answer this question in the negative by showing that finding weak saddles of bimatrix games is NP-hard, under polynomial-time Turing reductions. We moreover prove that recognizing weak saddles is coNP-complete, and that deciding whether a given action is contained in some weak saddle is hard for parallel access to NP and thus not even in NP unless the polynomial hierarchy collapses. Our hardness results are finally shown to carry over to a natural weakening of weak saddles.
Nonlocal resonances in weak turbulence of gravity-capillary waves.
Aubourg, Quentin; Mordant, Nicolas
2015-04-10
We report a laboratory investigation of weak turbulence of water surface waves in the gravity-capillary crossover. By using time-space-resolved profilometry and a bicoherence analysis, we observe that the nonlinear processes involve three-wave resonant interactions. By studying the solutions of the resonance conditions, we show that the nonlinear interaction is dominantly one dimensional and involves collinear wave vectors. Furthermore, taking into account the spectral widening due to weak nonlinearity explains why nonlocal interactions are possible between a gravity wave and high-frequency capillary ones. We observe also that nonlinear three-wave coupling is possible among gravity waves, and we raise the question of the relevance of this mechanism for oceanic waves. PMID:25910127
Heterogeneous, weakly coupled map lattices
NASA Astrophysics Data System (ADS)
Sotelo Herrera, M.^{a.} Dolores; San Martín, Jesús; Porter, Mason A.
2016-07-01
Coupled map lattices (CMLs) are often used to study emergent phenomena in nature. It is typically assumed (unrealistically) that each component is described by the same map, and it is important to relax this assumption. In this paper, we characterize periodic orbits and the laminar regime of type-I intermittency in heterogeneous weakly coupled map lattices (HWCMLs). We show that the period of a cycle in an HWCML is preserved for arbitrarily small coupling strengths even when an associated uncoupled oscillator would experience a period-doubling cascade. Our results characterize periodic orbits both near and far from saddle-node bifurcations, and we thereby provide a key step for examining the bifurcation structure of heterogeneous CMLs.
Weakly ionized cerium plasma radiography
NASA Astrophysics Data System (ADS)
Sato, Eiichi; Hayasi, Yasuomi; Germer, Rudolf; Koorikawa, Yoshitake; Murakami, Kazunori; Tanaka, Etsuro; Mori, Hidezo; Kawai, Toshiaki; Ichimaru, Toshio; Obata, Fumiko; Takahashi, Kiyomi; Sato, Sigehiro; Takayama, Kazuyoshi; Ido, Hideaki
2004-02-01
In the plasma flash x-ray generator, high-voltage main condenser of about 200 nF is charged up to 55 kV by a power supply, and electric charges in the condenser are discharged to an x-ray tube after triggering the cathode electrode. The flash x-rays are then produced. The x-ray tube is of a demountable triode that is connected to a turbo molecular pump with a pressure of approximately 1 mPa. As electron flows from the cathode electrode are roughly converged to a rod cerium target of 3.0 mm in diameter by electric field in the x-ray tube, the weakly ionized linear plasma, which consists of cerium ions and electrons, forms by target evaporating. At a charging voltage of 55 kV, the maximum tube voltage was almost equal to the charging voltage of the main condenser, and the peak current was about 20 kA. When the charging voltage was increased, weakly ionized cerium plasma formed, and the K-series characteristic x-ray intensities increased. The x-ray pulse widths were about 500 ns, and the time-integrated x-ray intensity had a value of about 40 μC/kg at 1.0 m from x-ray source with a charging voltage of 55 kV. In the angiography, we employed a film-less computed radiography (CR) system and iodine-based microspheres. Because K-series characteristic x-rays are absorbed easily by the microspheres, high-contrast angiography has been performed.
Statistical theory of electromagnetic weak turbulence
Yoon, Peter H.
2006-02-15
The weak turbulence theory as commonly found in the literature employs electrostatic approximation and is applicable to unmagnetized plasmas only. To this date, fully electromagnetic generalization of the existing weak turbulence theory based upon statistical mechanical approach remains largely incomplete. Instead, electromagnetic effects are incorporated into the weak turbulence formalism by means of the semiclassical approach. The present paper reformulates the fully electromagnetic weak turbulence theory from classical statistical mechanical (i.e., the Klimontovich) approach.