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.